 Entering Link 1 = C:\G09W\l1.exe PID=       448.
  
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 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
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 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
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 Cite this work as:
 Gaussian 09, Revision A.02,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2009.
 
 ******************************************
 Gaussian 09:  IA32W-G09RevA.02 11-Jun-2009
                28-Feb-2022 
 ******************************************
 %chk=C:\Users\Alejandro Morales\Desktop\Ligands Covid\Ligandos paper 2\Ritonavir
 .chk
 ---------------------------
 # opt pm6 geom=connectivity
 ---------------------------
 1/14=-1,18=20,19=15,26=1,38=1,57=2/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=2,16=1,25=1,41=3900000,71=1/1,2,3;
 4/35=1/1;
 5/5=2,35=1,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/14=-1,18=20,19=15/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=2,16=1,25=1,41=3900000,71=1,135=20/1,2,3;
 4/5=5,16=3,35=1/1;
 5/5=2,35=1,38=5/2;
 7//1,2,3,16;
 1/14=-1,18=20,19=15/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 -----------
 HMDB0014646
 -----------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                     9.4609    3.4441    2.7252 
 C                     8.9079    3.7409    1.3761 
 C                     9.7807    3.1982    0.2547 
 C                     7.5672    3.0684    1.2063 
 N                     6.5896    3.3899    0.3771 
 C                     5.4864    2.6946    0.3841 
 C                     4.357     3.0406   -0.5948 
 N                     4.4212    2.0844   -1.6494 
 C                     5.3374    2.3905   -2.7541 
 C                     3.6502    0.9109   -1.632 
 O                     3.8168    0.0756   -2.5753 
 N                     2.7139    0.6488   -0.6108 
 C                     1.977    -0.633    -0.6926 
 C                     0.6317   -0.3902   -1.2828 
 O                     0.2969    0.7868   -1.5247 
 N                    -0.2804   -1.4316   -1.5875 
 C                    -1.5593   -1.2327   -2.1602 
 C                    -1.6338   -1.8812   -3.5478 
 C                    -1.3668   -3.3212   -3.4962 
 C                    -0.0884   -3.7933   -3.7055 
 C                     0.2377   -5.1208   -3.6497 
 C                    -0.7218   -6.053    -3.3758 
 C                    -2.0195   -5.6228   -3.1589 
 C                    -2.3293   -4.2604   -3.2218 
 C                    -2.7605   -1.5537   -1.3611 
 C                    -2.9284   -0.7857   -0.0914 
 O                    -1.8967   -0.9405    0.8096 
 C                    -4.1855   -1.2017    0.6704 
 C                    -5.4234   -1.2507   -0.1389 
 C                    -6.5581   -1.6784    0.722 
 C                    -7.3879   -0.8255    1.3974 
 C                    -8.448    -1.2592    2.2002 
 C                    -8.6898   -2.6133    2.3322 
 C                    -7.8717   -3.4865    1.6641 
 C                    -6.8435   -3.0397    0.8878 
 N                    -4.2913   -0.2954    1.7923 
 C                    -4.5375    1.0978    1.658 
 O                    -4.6862    1.6411    0.5249 
 O                    -4.6245    1.9112    2.7662 
 C                    -4.8574    3.2852    2.7521 
 C                    -3.7238    3.9293    1.995 
 C                    -2.556     3.355     1.5633 
 N                    -1.7137    4.1046    0.9275 
 C                    -1.9971    5.3809    0.7155 
 S                    -3.5306    5.5418    1.448 
 C                     1.9574   -1.1601    0.704 
 C                     1.257    -0.2263    1.6677 
 C                     1.4194   -2.5376    0.8837 
 C                     5.4058    1.6517    1.2701 
 S                     6.9268    1.7321    2.0416 
 H                     10.5109   3.7896    2.749 
 H                     8.9139    4.0736    3.4746 
 H                     9.3806    2.3539    2.9628 
 H                     8.7402    4.8105    1.1589 
 H                     10.1697   2.1912    0.4706 
 H                     9.1119    3.1579   -0.6526 
 H                     10.5583   3.9313    0.0057 
 H                     3.4146    3.0362   -0.0393 
 H                     4.5045    4.0478   -1.0238 
 H                     5.4686    3.4994   -2.8574 
 H                     4.9111    2.0465   -3.7176 
 H                     6.3261    1.9763   -2.5201 
 H                     2.5076    1.2821    0.1851 
 H                     2.5702   -1.2886   -1.3369 
 H                     0.0501   -2.4065   -1.3681 
 H                    -1.6274   -0.117    -2.3841 
 H                    -0.9182   -1.4179   -4.2283 
 H                    -2.6504   -1.7304   -3.9937 
 H                     0.6917   -3.084    -3.9272 
 H                     1.2488   -5.4366   -3.8204 
 H                    -0.434    -7.1064   -3.3379 
 H                    -2.7692   -6.361    -2.9398 
 H                    -3.3507   -3.9835   -3.0501 
 H                    -2.7839   -2.6446   -1.1646 
 H                    -3.6949   -1.3482   -1.9684 
 H                    -3.0389    0.2957   -0.2992 
 H                    -1.6887   -0.0654    1.2108 
 H                    -3.9125   -2.2297    1.0714 
 H                    -5.663    -0.2322   -0.5216 
 H                    -5.3505   -1.8899   -1.0453 
 H                    -7.2238    0.2522    1.3039 
 H                    -9.0869   -0.5638    2.7198 
 H                    -9.5182   -2.977     2.9579 
 H                    -8.0545   -4.5433    1.7611 
 H                    -6.1741   -3.7125    0.3416 
 H                    -4.1823   -0.6655    2.7783 
 H                    -4.9779    3.7316    3.7443 
 H                    -5.7822    3.5583    2.1734 
 H                    -2.3438    2.2779    1.7602 
 H                    -1.3664    6.1227    0.1898 
 H                     3.0533   -1.2192    1.0055 
 H                     0.7628    0.6028    1.1156 
 H                     0.5242   -0.7988    2.293 
 H                     2.0208    0.169     2.3661 
 H                     1.8626   -3.0253    1.8066 
 H                     0.3173   -2.6053    0.9761 
 H                     1.7231   -3.2187    0.0613 
 H                     4.5616    0.9549    1.4259 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.4879         estimate D2E/DX2                !
 ! R2    R(1,51)                 1.1056         estimate D2E/DX2                !
 ! R3    R(1,52)                 1.1212         estimate D2E/DX2                !
 ! R4    R(1,53)                 1.1187         estimate D2E/DX2                !
 ! R5    R(2,3)                  1.5211         estimate D2E/DX2                !
 ! R6    R(2,4)                  1.5095         estimate D2E/DX2                !
 ! R7    R(2,54)                 1.1042         estimate D2E/DX2                !
 ! R8    R(3,55)                 1.1009         estimate D2E/DX2                !
 ! R9    R(3,56)                 1.1279         estimate D2E/DX2                !
 ! R10   R(3,57)                 1.0973         estimate D2E/DX2                !
 ! R11   R(4,5)                  1.3216         estimate D2E/DX2                !
 ! R12   R(4,50)                 1.701          estimate D2E/DX2                !
 ! R13   R(5,6)                  1.304          estimate D2E/DX2                !
 ! R14   R(6,7)                  1.5341         estimate D2E/DX2                !
 ! R15   R(6,49)                 1.3708         estimate D2E/DX2                !
 ! R16   R(7,8)                  1.425          estimate D2E/DX2                !
 ! R17   R(7,58)                 1.0939         estimate D2E/DX2                !
 ! R18   R(7,59)                 1.1046         estimate D2E/DX2                !
 ! R19   R(8,9)                  1.4675         estimate D2E/DX2                !
 ! R20   R(8,10)                 1.4042         estimate D2E/DX2                !
 ! R21   R(9,60)                 1.1214         estimate D2E/DX2                !
 ! R22   R(9,61)                 1.1083         estimate D2E/DX2                !
 ! R23   R(9,62)                 1.0972         estimate D2E/DX2                !
 ! R24   R(10,11)                1.2709         estimate D2E/DX2                !
 ! R25   R(10,12)                1.41           estimate D2E/DX2                !
 ! R26   R(12,13)                1.4808         estimate D2E/DX2                !
 ! R27   R(12,63)                1.0378         estimate D2E/DX2                !
 ! R28   R(13,14)                1.489          estimate D2E/DX2                !
 ! R29   R(13,46)                1.4929         estimate D2E/DX2                !
 ! R30   R(13,64)                1.094          estimate D2E/DX2                !
 ! R31   R(14,15)                1.2474         estimate D2E/DX2                !
 ! R32   R(14,16)                1.4175         estimate D2E/DX2                !
 ! R33   R(16,17)                1.4153         estimate D2E/DX2                !
 ! R34   R(16,65)                1.0525         estimate D2E/DX2                !
 ! R35   R(17,18)                1.5335         estimate D2E/DX2                !
 ! R36   R(17,25)                1.478          estimate D2E/DX2                !
 ! R37   R(17,66)                1.14           estimate D2E/DX2                !
 ! R38   R(18,19)                1.4655         estimate D2E/DX2                !
 ! R39   R(18,67)                1.0908         estimate D2E/DX2                !
 ! R40   R(18,68)                1.1203         estimate D2E/DX2                !
 ! R41   R(19,20)                1.3788         estimate D2E/DX2                !
 ! R42   R(19,24)                1.3725         estimate D2E/DX2                !
 ! R43   R(20,21)                1.3681         estimate D2E/DX2                !
 ! R44   R(20,69)                1.0774         estimate D2E/DX2                !
 ! R45   R(21,22)                1.3655         estimate D2E/DX2                !
 ! R46   R(21,70)                1.0729         estimate D2E/DX2                !
 ! R47   R(22,23)                1.3842         estimate D2E/DX2                !
 ! R48   R(22,71)                1.0927         estimate D2E/DX2                !
 ! R49   R(23,24)                1.3986         estimate D2E/DX2                !
 ! R50   R(23,72)                1.0747         estimate D2E/DX2                !
 ! R51   R(24,73)                1.0721         estimate D2E/DX2                !
 ! R52   R(25,26)                1.4934         estimate D2E/DX2                !
 ! R53   R(25,74)                1.1087         estimate D2E/DX2                !
 ! R54   R(25,75)                1.1332         estimate D2E/DX2                !
 ! R55   R(26,27)                1.3785         estimate D2E/DX2                !
 ! R56   R(26,28)                1.5276         estimate D2E/DX2                !
 ! R57   R(26,76)                1.1067         estimate D2E/DX2                !
 ! R58   R(27,77)                0.9849         estimate D2E/DX2                !
 ! R59   R(28,29)                1.4798         estimate D2E/DX2                !
 ! R60   R(28,36)                1.4461         estimate D2E/DX2                !
 ! R61   R(28,78)                1.1367         estimate D2E/DX2                !
 ! R62   R(29,30)                1.4872         estimate D2E/DX2                !
 ! R63   R(29,79)                1.1141         estimate D2E/DX2                !
 ! R64   R(29,80)                1.1115         estimate D2E/DX2                !
 ! R65   R(30,31)                1.3683         estimate D2E/DX2                !
 ! R66   R(30,35)                1.4007         estimate D2E/DX2                !
 ! R67   R(31,32)                1.3987         estimate D2E/DX2                !
 ! R68   R(31,81)                1.0941         estimate D2E/DX2                !
 ! R69   R(32,33)                1.3818         estimate D2E/DX2                !
 ! R70   R(32,82)                1.0778         estimate D2E/DX2                !
 ! R71   R(33,34)                1.3704         estimate D2E/DX2                !
 ! R72   R(33,83)                1.1            estimate D2E/DX2                !
 ! R73   R(34,35)                1.3636         estimate D2E/DX2                !
 ! R74   R(34,84)                1.0769         estimate D2E/DX2                !
 ! R75   R(35,85)                1.095          estimate D2E/DX2                !
 ! R76   R(36,37)                1.4211         estimate D2E/DX2                !
 ! R77   R(36,86)                1.0588         estimate D2E/DX2                !
 ! R78   R(37,38)                1.2654         estimate D2E/DX2                !
 ! R79   R(37,39)                1.3774         estimate D2E/DX2                !
 ! R80   R(39,40)                1.3937         estimate D2E/DX2                !
 ! R81   R(40,41)                1.5077         estimate D2E/DX2                !
 ! R82   R(40,87)                1.0946         estimate D2E/DX2                !
 ! R83   R(40,88)                1.1246         estimate D2E/DX2                !
 ! R84   R(41,42)                1.3711         estimate D2E/DX2                !
 ! R85   R(41,45)                1.7137         estimate D2E/DX2                !
 ! R86   R(42,43)                1.2945         estimate D2E/DX2                !
 ! R87   R(42,89)                1.1153         estimate D2E/DX2                !
 ! R88   R(43,44)                1.3245         estimate D2E/DX2                !
 ! R89   R(44,45)                1.7071         estimate D2E/DX2                !
 ! R90   R(44,90)                1.1065         estimate D2E/DX2                !
 ! R91   R(46,47)                1.5137         estimate D2E/DX2                !
 ! R92   R(46,48)                1.4897         estimate D2E/DX2                !
 ! R93   R(46,91)                1.1382         estimate D2E/DX2                !
 ! R94   R(47,92)                1.112          estimate D2E/DX2                !
 ! R95   R(47,93)                1.1206         estimate D2E/DX2                !
 ! R96   R(47,94)                1.1079         estimate D2E/DX2                !
 ! R97   R(48,95)                1.134          estimate D2E/DX2                !
 ! R98   R(48,96)                1.108          estimate D2E/DX2                !
 ! R99   R(48,97)                1.1102         estimate D2E/DX2                !
 ! R100  R(49,50)                1.7074         estimate D2E/DX2                !
 ! R101  R(49,98)                1.1057         estimate D2E/DX2                !
 ! A1    A(2,1,51)             108.0675         estimate D2E/DX2                !
 ! A2    A(2,1,52)             108.2227         estimate D2E/DX2                !
 ! A3    A(2,1,53)             111.118          estimate D2E/DX2                !
 ! A4    A(51,1,52)            105.8717         estimate D2E/DX2                !
 ! A5    A(51,1,53)            111.6004         estimate D2E/DX2                !
 ! A6    A(52,1,53)            111.7267         estimate D2E/DX2                !
 ! A7    A(1,2,3)              112.5822         estimate D2E/DX2                !
 ! A8    A(1,2,4)              110.0732         estimate D2E/DX2                !
 ! A9    A(1,2,54)             115.3406         estimate D2E/DX2                !
 ! A10   A(3,2,4)              105.5302         estimate D2E/DX2                !
 ! A11   A(3,2,54)             106.7212         estimate D2E/DX2                !
 ! A12   A(4,2,54)             105.9337         estimate D2E/DX2                !
 ! A13   A(2,3,55)             112.6134         estimate D2E/DX2                !
 ! A14   A(2,3,56)             105.3995         estimate D2E/DX2                !
 ! A15   A(2,3,57)             109.6052         estimate D2E/DX2                !
 ! A16   A(55,3,56)            109.5482         estimate D2E/DX2                !
 ! A17   A(55,3,57)            113.9041         estimate D2E/DX2                !
 ! A18   A(56,3,57)            105.1611         estimate D2E/DX2                !
 ! A19   A(2,4,5)              128.2572         estimate D2E/DX2                !
 ! A20   A(2,4,50)             128.9857         estimate D2E/DX2                !
 ! A21   A(5,4,50)             102.7512         estimate D2E/DX2                !
 ! A22   A(4,5,6)              119.5185         estimate D2E/DX2                !
 ! A23   A(5,6,7)              119.9421         estimate D2E/DX2                !
 ! A24   A(5,6,49)             117.3131         estimate D2E/DX2                !
 ! A25   A(7,6,49)             122.7324         estimate D2E/DX2                !
 ! A26   A(6,7,8)              106.7217         estimate D2E/DX2                !
 ! A27   A(6,7,58)             108.0158         estimate D2E/DX2                !
 ! A28   A(6,7,59)             110.8025         estimate D2E/DX2                !
 ! A29   A(8,7,58)             114.3253         estimate D2E/DX2                !
 ! A30   A(8,7,59)             108.5658         estimate D2E/DX2                !
 ! A31   A(58,7,59)            108.4153         estimate D2E/DX2                !
 ! A32   A(7,8,9)              116.4412         estimate D2E/DX2                !
 ! A33   A(7,8,10)             121.7934         estimate D2E/DX2                !
 ! A34   A(9,8,10)             121.7654         estimate D2E/DX2                !
 ! A35   A(8,9,60)             110.405          estimate D2E/DX2                !
 ! A36   A(8,9,61)             110.459          estimate D2E/DX2                !
 ! A37   A(8,9,62)             108.863          estimate D2E/DX2                !
 ! A38   A(60,9,61)            105.7736         estimate D2E/DX2                !
 ! A39   A(60,9,62)            106.7094         estimate D2E/DX2                !
 ! A40   A(61,9,62)            114.5085         estimate D2E/DX2                !
 ! A41   A(8,10,11)            117.9092         estimate D2E/DX2                !
 ! A42   A(8,10,12)            121.9313         estimate D2E/DX2                !
 ! A43   A(11,10,12)           120.1594         estimate D2E/DX2                !
 ! A44   A(10,12,13)           116.8298         estimate D2E/DX2                !
 ! A45   A(10,12,63)           125.028          estimate D2E/DX2                !
 ! A46   A(13,12,63)           118.1421         estimate D2E/DX2                !
 ! A47   A(12,13,14)           109.2907         estimate D2E/DX2                !
 ! A48   A(12,13,46)           105.0988         estimate D2E/DX2                !
 ! A49   A(12,13,64)           106.3461         estimate D2E/DX2                !
 ! A50   A(14,13,46)           114.6151         estimate D2E/DX2                !
 ! A51   A(14,13,64)           110.7433         estimate D2E/DX2                !
 ! A52   A(46,13,64)           110.2728         estimate D2E/DX2                !
 ! A53   A(13,14,15)           118.2443         estimate D2E/DX2                !
 ! A54   A(13,14,16)           123.1455         estimate D2E/DX2                !
 ! A55   A(15,14,16)           118.6095         estimate D2E/DX2                !
 ! A56   A(14,16,17)           124.4143         estimate D2E/DX2                !
 ! A57   A(14,16,65)           115.6987         estimate D2E/DX2                !
 ! A58   A(17,16,65)           119.885          estimate D2E/DX2                !
 ! A59   A(16,17,18)           110.5253         estimate D2E/DX2                !
 ! A60   A(16,17,25)           119.0181         estimate D2E/DX2                !
 ! A61   A(16,17,66)           105.7235         estimate D2E/DX2                !
 ! A62   A(18,17,25)           110.9714         estimate D2E/DX2                !
 ! A63   A(18,17,66)           103.4893         estimate D2E/DX2                !
 ! A64   A(25,17,66)           105.6761         estimate D2E/DX2                !
 ! A65   A(17,18,19)           112.0143         estimate D2E/DX2                !
 ! A66   A(17,18,67)           110.6724         estimate D2E/DX2                !
 ! A67   A(17,18,68)           110.3236         estimate D2E/DX2                !
 ! A68   A(19,18,67)           108.6509         estimate D2E/DX2                !
 ! A69   A(19,18,68)           108.1568         estimate D2E/DX2                !
 ! A70   A(67,18,68)           106.8482         estimate D2E/DX2                !
 ! A71   A(18,19,20)           120.0033         estimate D2E/DX2                !
 ! A72   A(18,19,24)           123.4822         estimate D2E/DX2                !
 ! A73   A(20,19,24)           116.5041         estimate D2E/DX2                !
 ! A74   A(19,20,21)           123.1657         estimate D2E/DX2                !
 ! A75   A(19,20,69)           118.5002         estimate D2E/DX2                !
 ! A76   A(21,20,69)           118.3338         estimate D2E/DX2                !
 ! A77   A(20,21,22)           120.2055         estimate D2E/DX2                !
 ! A78   A(20,21,70)           120.2471         estimate D2E/DX2                !
 ! A79   A(22,21,70)           119.5475         estimate D2E/DX2                !
 ! A80   A(21,22,23)           118.5546         estimate D2E/DX2                !
 ! A81   A(21,22,71)           118.6866         estimate D2E/DX2                !
 ! A82   A(23,22,71)           122.7588         estimate D2E/DX2                !
 ! A83   A(22,23,24)           120.222          estimate D2E/DX2                !
 ! A84   A(22,23,72)           118.193          estimate D2E/DX2                !
 ! A85   A(24,23,72)           121.5846         estimate D2E/DX2                !
 ! A86   A(19,24,23)           121.3482         estimate D2E/DX2                !
 ! A87   A(19,24,73)           121.5594         estimate D2E/DX2                !
 ! A88   A(23,24,73)           117.0921         estimate D2E/DX2                !
 ! A89   A(17,25,26)           116.0635         estimate D2E/DX2                !
 ! A90   A(17,25,74)           109.0671         estimate D2E/DX2                !
 ! A91   A(17,25,75)           109.9382         estimate D2E/DX2                !
 ! A92   A(26,25,74)           110.6681         estimate D2E/DX2                !
 ! A93   A(26,25,75)           105.6453         estimate D2E/DX2                !
 ! A94   A(74,25,75)           104.8336         estimate D2E/DX2                !
 ! A95   A(25,26,27)           114.4456         estimate D2E/DX2                !
 ! A96   A(25,26,28)           112.1147         estimate D2E/DX2                !
 ! A97   A(25,26,76)           110.738          estimate D2E/DX2                !
 ! A98   A(27,26,28)           105.0324         estimate D2E/DX2                !
 ! A99   A(27,26,76)           107.8897         estimate D2E/DX2                !
 ! A100  A(28,26,76)           106.1144         estimate D2E/DX2                !
 ! A101  A(26,27,77)           108.9376         estimate D2E/DX2                !
 ! A102  A(26,28,29)           115.1304         estimate D2E/DX2                !
 ! A103  A(26,28,36)           106.0465         estimate D2E/DX2                !
 ! A104  A(26,28,78)           102.9768         estimate D2E/DX2                !
 ! A105  A(29,28,36)           112.5718         estimate D2E/DX2                !
 ! A106  A(29,28,78)           111.3396         estimate D2E/DX2                !
 ! A107  A(36,28,78)           108.0994         estimate D2E/DX2                !
 ! A108  A(28,29,30)           109.3421         estimate D2E/DX2                !
 ! A109  A(28,29,79)           109.7248         estimate D2E/DX2                !
 ! A110  A(28,29,80)           114.2148         estimate D2E/DX2                !
 ! A111  A(30,29,79)           107.3183         estimate D2E/DX2                !
 ! A112  A(30,29,80)           110.899          estimate D2E/DX2                !
 ! A113  A(79,29,80)           105.0532         estimate D2E/DX2                !
 ! A114  A(29,30,31)           124.695          estimate D2E/DX2                !
 ! A115  A(29,30,35)           120.2305         estimate D2E/DX2                !
 ! A116  A(31,30,35)           115.0745         estimate D2E/DX2                !
 ! A117  A(30,31,32)           123.3447         estimate D2E/DX2                !
 ! A118  A(30,31,81)           118.7404         estimate D2E/DX2                !
 ! A119  A(32,31,81)           117.9135         estimate D2E/DX2                !
 ! A120  A(31,32,33)           119.4258         estimate D2E/DX2                !
 ! A121  A(31,32,82)           121.7284         estimate D2E/DX2                !
 ! A122  A(33,32,82)           118.8456         estimate D2E/DX2                !
 ! A123  A(32,33,34)           118.2518         estimate D2E/DX2                !
 ! A124  A(32,33,83)           120.6711         estimate D2E/DX2                !
 ! A125  A(34,33,83)           121.0771         estimate D2E/DX2                !
 ! A126  A(33,34,35)           121.2572         estimate D2E/DX2                !
 ! A127  A(33,34,84)           118.6882         estimate D2E/DX2                !
 ! A128  A(35,34,84)           120.0546         estimate D2E/DX2                !
 ! A129  A(30,35,34)           122.6459         estimate D2E/DX2                !
 ! A130  A(30,35,85)           114.426          estimate D2E/DX2                !
 ! A131  A(34,35,85)           122.928          estimate D2E/DX2                !
 ! A132  A(28,36,37)           123.6248         estimate D2E/DX2                !
 ! A133  A(28,36,86)           119.7269         estimate D2E/DX2                !
 ! A134  A(37,36,86)           116.6483         estimate D2E/DX2                !
 ! A135  A(36,37,38)           121.7283         estimate D2E/DX2                !
 ! A136  A(36,37,39)           120.9187         estimate D2E/DX2                !
 ! A137  A(38,37,39)           117.3529         estimate D2E/DX2                !
 ! A138  A(37,39,40)           125.775          estimate D2E/DX2                !
 ! A139  A(39,40,41)           107.4944         estimate D2E/DX2                !
 ! A140  A(39,40,87)           114.2848         estimate D2E/DX2                !
 ! A141  A(39,40,88)           112.4602         estimate D2E/DX2                !
 ! A142  A(41,40,87)           111.3284         estimate D2E/DX2                !
 ! A143  A(41,40,88)           104.8418         estimate D2E/DX2                !
 ! A144  A(87,40,88)           106.0733         estimate D2E/DX2                !
 ! A145  A(40,41,42)           128.2839         estimate D2E/DX2                !
 ! A146  A(40,41,45)           130.319          estimate D2E/DX2                !
 ! A147  A(42,41,45)           101.3969         estimate D2E/DX2                !
 ! A148  A(41,42,43)           117.7948         estimate D2E/DX2                !
 ! A149  A(41,42,89)           120.7282         estimate D2E/DX2                !
 ! A150  A(43,42,89)           121.4767         estimate D2E/DX2                !
 ! A151  A(42,43,44)           119.8291         estimate D2E/DX2                !
 ! A152  A(43,44,45)           102.3781         estimate D2E/DX2                !
 ! A153  A(43,44,90)           126.8764         estimate D2E/DX2                !
 ! A154  A(45,44,90)           130.7455         estimate D2E/DX2                !
 ! A155  A(41,45,44)            98.6011         estimate D2E/DX2                !
 ! A156  A(13,46,47)           112.5727         estimate D2E/DX2                !
 ! A157  A(13,46,48)           116.3637         estimate D2E/DX2                !
 ! A158  A(13,46,91)           104.6853         estimate D2E/DX2                !
 ! A159  A(47,46,48)           109.0584         estimate D2E/DX2                !
 ! A160  A(47,46,91)           107.9938         estimate D2E/DX2                !
 ! A161  A(48,46,91)           105.5314         estimate D2E/DX2                !
 ! A162  A(46,47,92)           110.4577         estimate D2E/DX2                !
 ! A163  A(46,47,93)           110.0397         estimate D2E/DX2                !
 ! A164  A(46,47,94)           107.605          estimate D2E/DX2                !
 ! A165  A(92,47,93)           111.5521         estimate D2E/DX2                !
 ! A166  A(92,47,94)           110.693          estimate D2E/DX2                !
 ! A167  A(93,47,94)           106.3415         estimate D2E/DX2                !
 ! A168  A(46,48,95)           110.7746         estimate D2E/DX2                !
 ! A169  A(46,48,96)           115.1991         estimate D2E/DX2                !
 ! A170  A(46,48,97)           112.2806         estimate D2E/DX2                !
 ! A171  A(95,48,96)           107.1326         estimate D2E/DX2                !
 ! A172  A(95,48,97)           103.4215         estimate D2E/DX2                !
 ! A173  A(96,48,97)           107.2407         estimate D2E/DX2                !
 ! A174  A(6,49,50)            101.7621         estimate D2E/DX2                !
 ! A175  A(6,49,98)            127.983          estimate D2E/DX2                !
 ! A176  A(50,49,98)           130.2548         estimate D2E/DX2                !
 ! A177  A(4,50,49)             98.655          estimate D2E/DX2                !
 ! D1    D(51,1,2,3)            52.3126         estimate D2E/DX2                !
 ! D2    D(51,1,2,4)           169.7455         estimate D2E/DX2                !
 ! D3    D(51,1,2,54)          -70.4893         estimate D2E/DX2                !
 ! D4    D(52,1,2,3)           166.5336         estimate D2E/DX2                !
 ! D5    D(52,1,2,4)           -76.0334         estimate D2E/DX2                !
 ! D6    D(52,1,2,54)           43.7318         estimate D2E/DX2                !
 ! D7    D(53,1,2,3)           -70.446          estimate D2E/DX2                !
 ! D8    D(53,1,2,4)            46.987          estimate D2E/DX2                !
 ! D9    D(53,1,2,54)          166.7522         estimate D2E/DX2                !
 ! D10   D(1,2,3,55)            41.4107         estimate D2E/DX2                !
 ! D11   D(1,2,3,56)           160.7968         estimate D2E/DX2                !
 ! D12   D(1,2,3,57)           -86.4927         estimate D2E/DX2                !
 ! D13   D(4,2,3,55)           -78.6808         estimate D2E/DX2                !
 ! D14   D(4,2,3,56)            40.7054         estimate D2E/DX2                !
 ! D15   D(4,2,3,57)           153.4159         estimate D2E/DX2                !
 ! D16   D(54,2,3,55)          168.924          estimate D2E/DX2                !
 ! D17   D(54,2,3,56)          -71.6898         estimate D2E/DX2                !
 ! D18   D(54,2,3,57)           41.0207         estimate D2E/DX2                !
 ! D19   D(1,2,4,5)            157.1766         estimate D2E/DX2                !
 ! D20   D(1,2,4,50)           -21.7856         estimate D2E/DX2                !
 ! D21   D(3,2,4,5)            -81.0955         estimate D2E/DX2                !
 ! D22   D(3,2,4,50)            99.9423         estimate D2E/DX2                !
 ! D23   D(54,2,4,5)            31.8518         estimate D2E/DX2                !
 ! D24   D(54,2,4,50)         -147.1103         estimate D2E/DX2                !
 ! D25   D(2,4,5,6)           -179.1789         estimate D2E/DX2                !
 ! D26   D(50,4,5,6)            -0.0059         estimate D2E/DX2                !
 ! D27   D(2,4,50,49)          179.1359         estimate D2E/DX2                !
 ! D28   D(5,4,50,49)           -0.0285         estimate D2E/DX2                !
 ! D29   D(4,5,6,7)           -178.704          estimate D2E/DX2                !
 ! D30   D(4,5,6,49)             0.0507         estimate D2E/DX2                !
 ! D31   D(5,6,7,8)            101.9674         estimate D2E/DX2                !
 ! D32   D(5,6,7,58)          -134.6666         estimate D2E/DX2                !
 ! D33   D(5,6,7,59)           -16.0522         estimate D2E/DX2                !
 ! D34   D(49,6,7,8)           -76.7172         estimate D2E/DX2                !
 ! D35   D(49,6,7,58)           46.6488         estimate D2E/DX2                !
 ! D36   D(49,6,7,59)          165.2632         estimate D2E/DX2                !
 ! D37   D(5,6,49,50)           -0.0637         estimate D2E/DX2                !
 ! D38   D(5,6,49,98)          179.8455         estimate D2E/DX2                !
 ! D39   D(7,6,49,50)          178.6535         estimate D2E/DX2                !
 ! D40   D(7,6,49,98)           -1.4373         estimate D2E/DX2                !
 ! D41   D(6,7,8,9)            -85.9639         estimate D2E/DX2                !
 ! D42   D(6,7,8,10)            93.9614         estimate D2E/DX2                !
 ! D43   D(58,7,8,9)           154.682          estimate D2E/DX2                !
 ! D44   D(58,7,8,10)          -25.3928         estimate D2E/DX2                !
 ! D45   D(59,7,8,9)            33.5143         estimate D2E/DX2                !
 ! D46   D(59,7,8,10)         -146.5605         estimate D2E/DX2                !
 ! D47   D(7,8,9,60)           -27.3585         estimate D2E/DX2                !
 ! D48   D(7,8,9,61)          -143.9959         estimate D2E/DX2                !
 ! D49   D(7,8,9,62)            89.4668         estimate D2E/DX2                !
 ! D50   D(10,8,9,60)          152.7163         estimate D2E/DX2                !
 ! D51   D(10,8,9,61)           36.0788         estimate D2E/DX2                !
 ! D52   D(10,8,9,62)          -90.4585         estimate D2E/DX2                !
 ! D53   D(7,8,10,11)         -176.3771         estimate D2E/DX2                !
 ! D54   D(7,8,10,12)            3.7102         estimate D2E/DX2                !
 ! D55   D(9,8,10,11)            3.5441         estimate D2E/DX2                !
 ! D56   D(9,8,10,12)         -176.3685         estimate D2E/DX2                !
 ! D57   D(8,10,12,13)        -179.09           estimate D2E/DX2                !
 ! D58   D(8,10,12,63)           0.8399         estimate D2E/DX2                !
 ! D59   D(11,10,12,13)          0.9993         estimate D2E/DX2                !
 ! D60   D(11,10,12,63)       -179.0708         estimate D2E/DX2                !
 ! D61   D(10,12,13,14)        -99.1172         estimate D2E/DX2                !
 ! D62   D(10,12,13,46)        137.4123         estimate D2E/DX2                !
 ! D63   D(10,12,13,64)         20.4678         estimate D2E/DX2                !
 ! D64   D(63,12,13,14)         80.9479         estimate D2E/DX2                !
 ! D65   D(63,12,13,46)        -42.5226         estimate D2E/DX2                !
 ! D66   D(63,12,13,64)       -159.4671         estimate D2E/DX2                !
 ! D67   D(12,13,14,15)         -4.5621         estimate D2E/DX2                !
 ! D68   D(12,13,14,16)        175.1197         estimate D2E/DX2                !
 ! D69   D(46,13,14,15)        113.0786         estimate D2E/DX2                !
 ! D70   D(46,13,14,16)        -67.2397         estimate D2E/DX2                !
 ! D71   D(64,13,14,15)       -121.3963         estimate D2E/DX2                !
 ! D72   D(64,13,14,16)         58.2854         estimate D2E/DX2                !
 ! D73   D(12,13,46,47)         60.5077         estimate D2E/DX2                !
 ! D74   D(12,13,46,48)       -172.5724         estimate D2E/DX2                !
 ! D75   D(12,13,46,91)        -56.5432         estimate D2E/DX2                !
 ! D76   D(14,13,46,47)        -59.4913         estimate D2E/DX2                !
 ! D77   D(14,13,46,48)         67.4286         estimate D2E/DX2                !
 ! D78   D(14,13,46,91)       -176.5423         estimate D2E/DX2                !
 ! D79   D(64,13,46,47)        174.7382         estimate D2E/DX2                !
 ! D80   D(64,13,46,48)        -58.3419         estimate D2E/DX2                !
 ! D81   D(64,13,46,91)         57.6872         estimate D2E/DX2                !
 ! D82   D(13,14,16,17)       -179.3622         estimate D2E/DX2                !
 ! D83   D(13,14,16,65)          0.1092         estimate D2E/DX2                !
 ! D84   D(15,14,16,17)          0.3184         estimate D2E/DX2                !
 ! D85   D(15,14,16,65)        179.7898         estimate D2E/DX2                !
 ! D86   D(14,16,17,18)        115.9683         estimate D2E/DX2                !
 ! D87   D(14,16,17,25)       -113.8882         estimate D2E/DX2                !
 ! D88   D(14,16,17,66)          4.6125         estimate D2E/DX2                !
 ! D89   D(65,16,17,18)        -63.4823         estimate D2E/DX2                !
 ! D90   D(65,16,17,25)         66.6612         estimate D2E/DX2                !
 ! D91   D(65,16,17,66)       -174.8381         estimate D2E/DX2                !
 ! D92   D(16,17,18,19)         58.9055         estimate D2E/DX2                !
 ! D93   D(16,17,18,67)        -62.5104         estimate D2E/DX2                !
 ! D94   D(16,17,18,68)        179.4489         estimate D2E/DX2                !
 ! D95   D(25,17,18,19)        -75.3781         estimate D2E/DX2                !
 ! D96   D(25,17,18,67)        163.206          estimate D2E/DX2                !
 ! D97   D(25,17,18,68)         45.1652         estimate D2E/DX2                !
 ! D98   D(66,17,18,19)        171.6972         estimate D2E/DX2                !
 ! D99   D(66,17,18,67)         50.2813         estimate D2E/DX2                !
 ! D100  D(66,17,18,68)        -67.7594         estimate D2E/DX2                !
 ! D101  D(16,17,25,26)         60.7942         estimate D2E/DX2                !
 ! D102  D(16,17,25,74)        -64.9925         estimate D2E/DX2                !
 ! D103  D(16,17,25,75)       -179.4189         estimate D2E/DX2                !
 ! D104  D(18,17,25,26)       -169.2634         estimate D2E/DX2                !
 ! D105  D(18,17,25,74)         64.9498         estimate D2E/DX2                !
 ! D106  D(18,17,25,75)        -49.4766         estimate D2E/DX2                !
 ! D107  D(66,17,25,26)        -57.731          estimate D2E/DX2                !
 ! D108  D(66,17,25,74)        176.4822         estimate D2E/DX2                !
 ! D109  D(66,17,25,75)         62.0559         estimate D2E/DX2                !
 ! D110  D(17,18,19,20)        -93.5478         estimate D2E/DX2                !
 ! D111  D(17,18,19,24)         85.2342         estimate D2E/DX2                !
 ! D112  D(67,18,19,20)         29.0244         estimate D2E/DX2                !
 ! D113  D(67,18,19,24)       -152.1936         estimate D2E/DX2                !
 ! D114  D(68,18,19,20)        144.6585         estimate D2E/DX2                !
 ! D115  D(68,18,19,24)        -36.5595         estimate D2E/DX2                !
 ! D116  D(18,19,20,21)        178.8516         estimate D2E/DX2                !
 ! D117  D(18,19,20,69)         -1.3708         estimate D2E/DX2                !
 ! D118  D(24,19,20,21)         -0.0133         estimate D2E/DX2                !
 ! D119  D(24,19,20,69)        179.7643         estimate D2E/DX2                !
 ! D120  D(18,19,24,23)       -178.774          estimate D2E/DX2                !
 ! D121  D(18,19,24,73)          1.459          estimate D2E/DX2                !
 ! D122  D(20,19,24,23)          0.0474         estimate D2E/DX2                !
 ! D123  D(20,19,24,73)       -179.7197         estimate D2E/DX2                !
 ! D124  D(19,20,21,22)         -0.0206         estimate D2E/DX2                !
 ! D125  D(19,20,21,70)       -179.9972         estimate D2E/DX2                !
 ! D126  D(69,20,21,22)       -179.7985         estimate D2E/DX2                !
 ! D127  D(69,20,21,70)          0.2249         estimate D2E/DX2                !
 ! D128  D(20,21,22,23)          0.0198         estimate D2E/DX2                !
 ! D129  D(20,21,22,71)        179.9623         estimate D2E/DX2                !
 ! D130  D(70,21,22,23)        179.9965         estimate D2E/DX2                !
 ! D131  D(70,21,22,71)         -0.0609         estimate D2E/DX2                !
 ! D132  D(21,22,23,24)          0.0138         estimate D2E/DX2                !
 ! D133  D(21,22,23,72)       -179.7519         estimate D2E/DX2                !
 ! D134  D(71,22,23,24)       -179.9263         estimate D2E/DX2                !
 ! D135  D(71,22,23,72)          0.308          estimate D2E/DX2                !
 ! D136  D(22,23,24,19)         -0.049          estimate D2E/DX2                !
 ! D137  D(22,23,24,73)        179.728          estimate D2E/DX2                !
 ! D138  D(72,23,24,19)        179.7086         estimate D2E/DX2                !
 ! D139  D(72,23,24,73)         -0.5143         estimate D2E/DX2                !
 ! D140  D(17,25,26,27)        -59.7225         estimate D2E/DX2                !
 ! D141  D(17,25,26,28)       -179.2111         estimate D2E/DX2                !
 ! D142  D(17,25,26,76)         62.4809         estimate D2E/DX2                !
 ! D143  D(74,25,26,27)         65.2495         estimate D2E/DX2                !
 ! D144  D(74,25,26,28)        -54.2391         estimate D2E/DX2                !
 ! D145  D(74,25,26,76)       -172.547          estimate D2E/DX2                !
 ! D146  D(75,25,26,27)        178.1914         estimate D2E/DX2                !
 ! D147  D(75,25,26,28)         58.7027         estimate D2E/DX2                !
 ! D148  D(75,25,26,76)        -59.6052         estimate D2E/DX2                !
 ! D149  D(25,26,27,77)        138.5325         estimate D2E/DX2                !
 ! D150  D(28,26,27,77)        -98.0823         estimate D2E/DX2                !
 ! D151  D(76,26,27,77)         14.7901         estimate D2E/DX2                !
 ! D152  D(25,26,28,29)        -49.2186         estimate D2E/DX2                !
 ! D153  D(25,26,28,36)       -174.3939         estimate D2E/DX2                !
 ! D154  D(25,26,28,78)         72.152          estimate D2E/DX2                !
 ! D155  D(27,26,28,29)       -174.0838         estimate D2E/DX2                !
 ! D156  D(27,26,28,36)         60.7409         estimate D2E/DX2                !
 ! D157  D(27,26,28,78)        -52.7132         estimate D2E/DX2                !
 ! D158  D(76,26,28,29)         71.7952         estimate D2E/DX2                !
 ! D159  D(76,26,28,36)        -53.3801         estimate D2E/DX2                !
 ! D160  D(76,26,28,78)       -166.8342         estimate D2E/DX2                !
 ! D161  D(26,28,29,30)        179.5255         estimate D2E/DX2                !
 ! D162  D(26,28,29,79)        -63.0225         estimate D2E/DX2                !
 ! D163  D(26,28,29,80)         54.608          estimate D2E/DX2                !
 ! D164  D(36,28,29,30)        -58.7637         estimate D2E/DX2                !
 ! D165  D(36,28,29,79)         58.6884         estimate D2E/DX2                !
 ! D166  D(36,28,29,80)        176.3188         estimate D2E/DX2                !
 ! D167  D(78,28,29,30)         62.8105         estimate D2E/DX2                !
 ! D168  D(78,28,29,79)       -179.7375         estimate D2E/DX2                !
 ! D169  D(78,28,29,80)        -62.107          estimate D2E/DX2                !
 ! D170  D(26,28,36,37)         66.0701         estimate D2E/DX2                !
 ! D171  D(26,28,36,86)       -113.8759         estimate D2E/DX2                !
 ! D172  D(29,28,36,37)        -60.6649         estimate D2E/DX2                !
 ! D173  D(29,28,36,86)        119.3891         estimate D2E/DX2                !
 ! D174  D(78,28,36,37)        175.9367         estimate D2E/DX2                !
 ! D175  D(78,28,36,86)         -4.0093         estimate D2E/DX2                !
 ! D176  D(28,29,30,31)         92.0832         estimate D2E/DX2                !
 ! D177  D(28,29,30,35)        -87.9708         estimate D2E/DX2                !
 ! D178  D(79,29,30,31)        -26.8723         estimate D2E/DX2                !
 ! D179  D(79,29,30,35)        153.0737         estimate D2E/DX2                !
 ! D180  D(80,29,30,31)       -141.0941         estimate D2E/DX2                !
 ! D181  D(80,29,30,35)         38.8518         estimate D2E/DX2                !
 ! D182  D(29,30,31,32)        179.9938         estimate D2E/DX2                !
 ! D183  D(29,30,31,81)          0.4219         estimate D2E/DX2                !
 ! D184  D(35,30,31,32)          0.0454         estimate D2E/DX2                !
 ! D185  D(35,30,31,81)       -179.5266         estimate D2E/DX2                !
 ! D186  D(29,30,35,34)       -179.9447         estimate D2E/DX2                !
 ! D187  D(29,30,35,85)         -0.0403         estimate D2E/DX2                !
 ! D188  D(31,30,35,34)          0.0062         estimate D2E/DX2                !
 ! D189  D(31,30,35,85)        179.9106         estimate D2E/DX2                !
 ! D190  D(30,31,32,33)         -0.0615         estimate D2E/DX2                !
 ! D191  D(30,31,32,82)       -179.9038         estimate D2E/DX2                !
 ! D192  D(81,31,32,33)        179.5138         estimate D2E/DX2                !
 ! D193  D(81,31,32,82)         -0.3286         estimate D2E/DX2                !
 ! D194  D(31,32,33,34)          0.0234         estimate D2E/DX2                !
 ! D195  D(31,32,33,83)       -179.97           estimate D2E/DX2                !
 ! D196  D(82,32,33,34)        179.8703         estimate D2E/DX2                !
 ! D197  D(82,32,33,83)         -0.1231         estimate D2E/DX2                !
 ! D198  D(32,33,34,35)          0.0261         estimate D2E/DX2                !
 ! D199  D(32,33,34,84)       -179.9306         estimate D2E/DX2                !
 ! D200  D(83,33,34,35)       -179.9806         estimate D2E/DX2                !
 ! D201  D(83,33,34,84)          0.0627         estimate D2E/DX2                !
 ! D202  D(33,34,35,30)         -0.0423         estimate D2E/DX2                !
 ! D203  D(33,34,35,85)       -179.9386         estimate D2E/DX2                !
 ! D204  D(84,34,35,30)        179.9138         estimate D2E/DX2                !
 ! D205  D(84,34,35,85)          0.0175         estimate D2E/DX2                !
 ! D206  D(28,36,37,38)          0.2155         estimate D2E/DX2                !
 ! D207  D(28,36,37,39)       -179.8376         estimate D2E/DX2                !
 ! D208  D(86,36,37,38)       -179.837          estimate D2E/DX2                !
 ! D209  D(86,36,37,39)          0.1099         estimate D2E/DX2                !
 ! D210  D(36,37,39,40)        179.7881         estimate D2E/DX2                !
 ! D211  D(38,37,39,40)         -0.2627         estimate D2E/DX2                !
 ! D212  D(37,39,40,41)        -61.0152         estimate D2E/DX2                !
 ! D213  D(37,39,40,87)        174.8884         estimate D2E/DX2                !
 ! D214  D(37,39,40,88)         53.8774         estimate D2E/DX2                !
 ! D215  D(39,40,41,42)         -9.5166         estimate D2E/DX2                !
 ! D216  D(39,40,41,45)        170.6653         estimate D2E/DX2                !
 ! D217  D(87,40,41,42)        116.3564         estimate D2E/DX2                !
 ! D218  D(87,40,41,45)        -63.4617         estimate D2E/DX2                !
 ! D219  D(88,40,41,42)       -129.379          estimate D2E/DX2                !
 ! D220  D(88,40,41,45)         50.8029         estimate D2E/DX2                !
 ! D221  D(40,41,42,43)       -179.8705         estimate D2E/DX2                !
 ! D222  D(40,41,42,89)         -0.0868         estimate D2E/DX2                !
 ! D223  D(45,41,42,43)         -0.012          estimate D2E/DX2                !
 ! D224  D(45,41,42,89)        179.7717         estimate D2E/DX2                !
 ! D225  D(40,41,45,44)        179.8655         estimate D2E/DX2                !
 ! D226  D(42,41,45,44)          0.0112         estimate D2E/DX2                !
 ! D227  D(41,42,43,44)          0.0071         estimate D2E/DX2                !
 ! D228  D(89,42,43,44)       -179.7748         estimate D2E/DX2                !
 ! D229  D(42,43,44,45)          0.0022         estimate D2E/DX2                !
 ! D230  D(42,43,44,90)        179.9621         estimate D2E/DX2                !
 ! D231  D(43,44,45,41)         -0.0081         estimate D2E/DX2                !
 ! D232  D(90,44,45,41)       -179.9658         estimate D2E/DX2                !
 ! D233  D(13,46,47,92)          8.3082         estimate D2E/DX2                !
 ! D234  D(13,46,47,93)        131.9095         estimate D2E/DX2                !
 ! D235  D(13,46,47,94)       -112.6258         estimate D2E/DX2                !
 ! D236  D(48,46,47,92)       -122.4154         estimate D2E/DX2                !
 ! D237  D(48,46,47,93)          1.186          estimate D2E/DX2                !
 ! D238  D(48,46,47,94)        116.6506         estimate D2E/DX2                !
 ! D239  D(91,46,47,92)        123.3753         estimate D2E/DX2                !
 ! D240  D(91,46,47,93)       -113.0233         estimate D2E/DX2                !
 ! D241  D(91,46,47,94)          2.4413         estimate D2E/DX2                !
 ! D242  D(13,46,48,95)        153.6257         estimate D2E/DX2                !
 ! D243  D(13,46,48,96)        -84.5908         estimate D2E/DX2                !
 ! D244  D(13,46,48,97)         38.556          estimate D2E/DX2                !
 ! D245  D(47,46,48,95)        -77.7304         estimate D2E/DX2                !
 ! D246  D(47,46,48,96)         44.053          estimate D2E/DX2                !
 ! D247  D(47,46,48,97)        167.1999         estimate D2E/DX2                !
 ! D248  D(91,46,48,95)         38.0693         estimate D2E/DX2                !
 ! D249  D(91,46,48,96)        159.8527         estimate D2E/DX2                !
 ! D250  D(91,46,48,97)        -77.0004         estimate D2E/DX2                !
 ! D251  D(6,49,50,4)            0.0511         estimate D2E/DX2                !
 ! D252  D(98,49,50,4)        -179.8551         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
 Number of steps in this run= 540 maximum allowed number of steps= 588.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0      -10.077612   -1.699565    2.245420
      2          6           0       -9.646556   -1.367726    0.860485
      3          6           0      -10.342080   -0.130732    0.312824
      4          6           0       -8.172168   -1.044722    0.840154
      5          7           0       -7.335177   -1.105249   -0.180836
      6          6           0       -6.080087   -0.799948   -0.001720
      7          6           0       -5.106154   -0.838101   -1.186416
      8          7           0       -4.908320    0.511689   -1.598181
      9          6           0       -5.885971    1.055023   -2.548165
     10          6           0       -3.836051    1.281644   -1.119375
     11          8           0       -3.769450    2.498391   -1.480465
     12          7           0       -2.852535    0.741193   -0.265670
     13          6           0       -1.783359    1.659774    0.187977
     14          6           0       -0.568803    1.451896   -0.647943
     15          8           0       -0.584232    0.535366   -1.493915
     16          7           0        0.597713    2.248782   -0.531767
     17          6           0        1.761243    2.083386   -1.320420
     18          6           0        2.001105    3.322555   -2.191318
     19          6           0        2.154005    4.537991   -1.387024
     20          6           0        1.059707    5.335962   -1.128671
     21          6           0        1.124082    6.471018   -0.367610
     22          6           0        2.311534    6.864701    0.179773
     23          6           0        3.436305    6.092515   -0.054241
     24          6           0        3.346325    4.936437   -0.836196
     25          6           0        3.012994    1.644770   -0.668332
     26          6           0        2.970363    0.312147    0.004313
     27          8           0        2.035025    0.211372    1.011862
     28          6           0        4.302240   -0.042357    0.663197
     29          6           0        5.494115    0.128689   -0.197001
     30          6           0        6.713047   -0.239154    0.571450
     31          6           0        7.274400   -1.486820    0.591027
     32          6           0        8.422853   -1.801751    1.324697
     33          6           0        9.040171   -0.818854    2.074569
     34          6           0        8.495874    0.438858    2.069498
     35          6           0        7.374591    0.721669    1.346858
     36          7           0        4.159196   -1.396295    1.150663
     37          6           0        3.998701   -2.525243    0.302503
     38          8           0        3.974587   -2.412779   -0.957645
     39          8           0        3.863822   -3.791491    0.827592
     40          6           0        3.697358   -4.964431    0.093549
     41          6           0        2.419273   -4.828363   -0.694549
     42          6           0        1.457530   -3.856503   -0.592180
     43          7           0        0.430204   -3.939057   -1.375376
     44          6           0        0.337662   -4.940414   -2.237305
     45         16           0        1.770654   -5.817348   -1.934668
     46          6           0       -1.599520    1.356507    1.638129
     47          6           0       -1.181972   -0.077626    1.883440
     48          6           0       -0.691012    2.263684    2.393699
     49          6           0       -5.697182   -0.428160    1.260932
     50         16           0       -7.169843   -0.538308    2.117818
     51          1           0      -11.182151   -1.747045    2.258663
     52          1           0       -9.723255   -2.736185    2.484020
     53          1           0       -9.688811   -0.949892    2.979084
     54          1           0       -9.791484   -2.169755    0.115442
     55          1           0      -10.427120    0.672962    1.060372
     56          1           0       -9.699466    0.218817   -0.545648
     57          1           0      -11.298374   -0.417323   -0.142660
     58          1           0       -4.195058   -1.347517   -0.859128
     59          1           0       -5.537989   -1.403837   -2.031229
     60          1           0       -6.327384    0.231822   -3.168680
     61          1           0       -5.390392    1.739954   -3.264872
     62          1           0       -6.713956    1.505347   -1.986475
     63          1           0       -2.825430   -0.242407    0.064301
     64          1           0       -2.173443    2.673718    0.059245
     65          1           0        0.559704    3.010541    0.193543
     66          1           0        1.507662    1.270623   -2.078489
     67          1           0        1.175959    3.467941   -2.889749
     68          1           0        2.928173    3.192180   -2.806615
     69          1           0        0.108069    5.055177   -1.548622
     70          1           0        0.242202    7.057676   -0.196401
     71          1           0        2.334707    7.775584    0.782826
     72          1           0        4.366959    6.405507    0.382695
     73          1           0        4.249123    4.378684   -0.988770
     74          1           0        3.346974    2.429944    0.039609
     75          1           0        3.843930    1.573408   -1.435534
     76          1           0        2.767346   -0.490955   -0.729600
     77          1           0        1.591895   -0.666033    0.950041
     78          1           0        4.336450    0.654348    1.560718
     79          1           0        5.430776   -0.561920   -1.068929
     80          1           0        5.595366    1.143407   -0.639209
     81          1           0        6.810397   -2.281823   -0.000394
     82          1           0        8.844081   -2.793872    1.320100
     83          1           0        9.944625   -1.043792    2.658856
     84          1           0        8.971921    1.210498    2.650533
     85          1           0        6.917411    1.716393    1.322312
     86          1           0        4.170623   -1.583061    2.192795
     87          1           0        3.697380   -5.877352    0.697560
     88          1           0        4.500238   -5.103848   -0.681486
     89          1           0        1.561688   -3.027209    0.146309
     90          1           0       -0.483324   -5.124120   -2.956084
     91          1           0       -2.630241    1.506016    2.097098
     92          1           0       -0.949359   -0.584645    0.921527
     93          1           0       -0.309982   -0.108772    2.586587
     94          1           0       -2.018678   -0.586248    2.401747
     95          1           0       -0.967400    2.285145    3.493323
     96          1           0        0.386004    2.010576    2.332723
     97          1           0       -0.798253    3.323290    2.080319
     98          1           0       -4.688359   -0.138287    1.608391
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0656068      0.0260344      0.0206848
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3534.6207744245 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Nonelectrostatic core Hamiltonian diagonalized for initial guess.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state of the initial guess is 1-A.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 EnCoef did     2 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did    14 forward-backward iterations
 EnCoef did     5 forward-backward iterations
 EnCoef did    15 forward-backward iterations
 EnCoef did     3 forward-backward iterations
 EnCoef did     6 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did     5 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 Matrix for removal  5 Erem=  304.331973004105     Crem= 0.000D+00
 Matrix for removal  3 Erem=  228.854144061382     Crem= 0.000D+00
 Matrix for removal  5 Erem=  210.903014436275     Crem= 0.000D+00
 SCF Done:  E(RPM6) = -0.680528539269E-01 A.U. after   36 cycles
             Convg  =    0.7492D-08             -V/T =  0.9999

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --   -1.27663  -1.27542  -1.21829  -1.21152  -1.19180
 Alpha  occ. eigenvalues --   -1.16727  -1.16144  -1.12490  -1.12442  -1.12097
 Alpha  occ. eigenvalues --   -1.10221  -1.09341  -1.08675  -1.07629  -1.06744
 Alpha  occ. eigenvalues --   -1.05479  -1.04421  -1.03877  -1.03107  -0.99776
 Alpha  occ. eigenvalues --   -0.99529  -0.97303  -0.96443  -0.96283  -0.95799
 Alpha  occ. eigenvalues --   -0.93942  -0.92933  -0.90315  -0.89747  -0.89452
 Alpha  occ. eigenvalues --   -0.88515  -0.86496  -0.86245  -0.82630  -0.80275
 Alpha  occ. eigenvalues --   -0.80204  -0.79785  -0.78859  -0.77393  -0.76765
 Alpha  occ. eigenvalues --   -0.76450  -0.75158  -0.74460  -0.73281  -0.72557
 Alpha  occ. eigenvalues --   -0.72293  -0.71523  -0.69864  -0.69215  -0.68374
 Alpha  occ. eigenvalues --   -0.67741  -0.65179  -0.64196  -0.63450  -0.63085
 Alpha  occ. eigenvalues --   -0.62612  -0.61919  -0.61371  -0.60997  -0.60388
 Alpha  occ. eigenvalues --   -0.59878  -0.59313  -0.59094  -0.58433  -0.57996
 Alpha  occ. eigenvalues --   -0.57421  -0.57268  -0.56876  -0.56511  -0.56352
 Alpha  occ. eigenvalues --   -0.56131  -0.55732  -0.55146  -0.54958  -0.54531
 Alpha  occ. eigenvalues --   -0.54464  -0.53579  -0.53425  -0.52652  -0.52385
 Alpha  occ. eigenvalues --   -0.52281  -0.52110  -0.51933  -0.51591  -0.51429
 Alpha  occ. eigenvalues --   -0.51217  -0.50800  -0.50511  -0.50373  -0.50102
 Alpha  occ. eigenvalues --   -0.49853  -0.49504  -0.49302  -0.49112  -0.48403
 Alpha  occ. eigenvalues --   -0.48338  -0.48001  -0.47585  -0.47105  -0.46821
 Alpha  occ. eigenvalues --   -0.46254  -0.45801  -0.45601  -0.45400  -0.45182
 Alpha  occ. eigenvalues --   -0.45085  -0.44836  -0.44115  -0.43832  -0.43303
 Alpha  occ. eigenvalues --   -0.43236  -0.42875  -0.42829  -0.42603  -0.42602
 Alpha  occ. eigenvalues --   -0.41572  -0.40715  -0.40115  -0.37717  -0.37312
 Alpha  occ. eigenvalues --   -0.37196  -0.37010  -0.36737  -0.36363  -0.36176
 Alpha  occ. eigenvalues --   -0.35668  -0.35611  -0.35599  -0.35439  -0.35382
 Alpha  occ. eigenvalues --   -0.35346  -0.34791  -0.34067  -0.32735
 Alpha virt. eigenvalues --   -0.02622  -0.02033  -0.01382   0.00355   0.00636
 Alpha virt. eigenvalues --    0.00845   0.01012   0.01230   0.01244   0.01286
 Alpha virt. eigenvalues --    0.01489   0.02251   0.03315   0.04666   0.04914
 Alpha virt. eigenvalues --    0.04969   0.06166   0.07031   0.07325   0.07485
 Alpha virt. eigenvalues --    0.08343   0.08781   0.08805   0.08922   0.09405
 Alpha virt. eigenvalues --    0.09572   0.09617   0.09653   0.09888   0.10030
 Alpha virt. eigenvalues --    0.10182   0.10755   0.11145   0.11354   0.11860
 Alpha virt. eigenvalues --    0.12156   0.12173   0.12721   0.12880   0.13173
 Alpha virt. eigenvalues --    0.13274   0.13284   0.13358   0.13870   0.14053
 Alpha virt. eigenvalues --    0.14133   0.14389   0.14610   0.14696   0.15302
 Alpha virt. eigenvalues --    0.15485   0.15511   0.15856   0.16078   0.16114
 Alpha virt. eigenvalues --    0.16153   0.16237   0.16693   0.16713   0.17122
 Alpha virt. eigenvalues --    0.17156   0.17399   0.17571   0.17714   0.17753
 Alpha virt. eigenvalues --    0.18034   0.18044   0.18216   0.18255   0.18300
 Alpha virt. eigenvalues --    0.18756   0.18976   0.19152   0.19252   0.19281
 Alpha virt. eigenvalues --    0.19386   0.19398   0.19583   0.19632   0.19756
 Alpha virt. eigenvalues --    0.19771   0.19931   0.19958   0.20088   0.20273
 Alpha virt. eigenvalues --    0.20309   0.20350   0.20532   0.20629   0.20669
 Alpha virt. eigenvalues --    0.20729   0.20771   0.20849   0.20862   0.20887
 Alpha virt. eigenvalues --    0.21024   0.21102   0.21174   0.21245   0.21518
 Alpha virt. eigenvalues --    0.21615   0.21715   0.21779   0.21916   0.22105
 Alpha virt. eigenvalues --    0.22250   0.22278   0.22648   0.22653   0.22732
 Alpha virt. eigenvalues --    0.22859   0.22881   0.22959   0.23311   0.23322
 Alpha virt. eigenvalues --    0.23453   0.23545   0.23646   0.23703   0.23892
 Alpha virt. eigenvalues --    0.23920   0.24018   0.24527   0.24643
          Condensed to atoms (all electrons):
 Mulliken atomic charges:
              1
     1  C   -0.500918
     2  C    0.030088
     3  C   -0.500596
     4  C    0.051716
     5  N   -0.367673
     6  C    0.115967
     7  C   -0.093424
     8  N   -0.374110
     9  C   -0.242027
    10  C    0.684254
    11  O   -0.622493
    12  N   -0.523866
    13  C   -0.045063
    14  C    0.560510
    15  O   -0.565473
    16  N   -0.497475
    17  C    0.148396
    18  C   -0.381832
    19  C    0.093872
    20  C   -0.222703
    21  C   -0.109663
    22  C   -0.186718
    23  C   -0.103507
    24  C   -0.223861
    25  C   -0.397360
    26  C    0.132232
    27  O   -0.553468
    28  C    0.076605
    29  C   -0.378162
    30  C    0.078016
    31  C   -0.204339
    32  C   -0.109766
    33  C   -0.176840
    34  C   -0.112686
    35  C   -0.213211
    36  N   -0.502626
    37  C    0.708810
    38  O   -0.583940
    39  O   -0.478124
    40  C    0.105523
    41  C   -0.257852
    42  C   -0.027651
    43  N   -0.267936
    44  C   -0.099761
    45  S    0.137789
    46  C   -0.027024
    47  C   -0.505806
    48  C   -0.509246
    49  C   -0.397148
    50  S    0.126414
    51  H    0.165201
    52  H    0.162900
    53  H    0.172875
    54  H    0.147284
    55  H    0.165884
    56  H    0.173772
    57  H    0.157979
    58  H    0.146726
    59  H    0.167292
    60  H    0.143394
    61  H    0.170485
    62  H    0.150250
    63  H    0.295068
    64  H    0.191308
    65  H    0.276229
    66  H    0.162693
    67  H    0.173989
    68  H    0.162588
    69  H    0.159407
    70  H    0.142703
    71  H    0.150241
    72  H    0.138101
    73  H    0.145186
    74  H    0.168769
    75  H    0.169374
    76  H    0.143254
    77  H    0.326323
    78  H    0.157538
    79  H    0.196754
    80  H    0.170027
    81  H    0.154865
    82  H    0.141926
    83  H    0.151246
    84  H    0.141299
    85  H    0.148059
    86  H    0.297312
    87  H    0.162075
    88  H    0.144884
    89  H    0.179372
    90  H    0.217212
    91  H    0.133189
    92  H    0.172057
    93  H    0.169141
    94  H    0.146453
    95  H    0.160495
    96  H    0.176985
    97  H    0.150787
    98  H    0.213200
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     1  C    0.000058
     2  C    0.177372
     3  C   -0.002961
     4  C    0.051716
     5  N   -0.367673
     6  C    0.115967
     7  C    0.220594
     8  N   -0.374110
     9  C    0.222102
    10  C    0.684254
    11  O   -0.622493
    12  N   -0.228797
    13  C    0.146245
    14  C    0.560510
    15  O   -0.565473
    16  N   -0.221246
    17  C    0.311088
    18  C   -0.045255
    19  C    0.093872
    20  C   -0.063296
    21  C    0.033040
    22  C   -0.036476
    23  C    0.034595
    24  C   -0.078675
    25  C   -0.059217
    26  C    0.275486
    27  O   -0.227145
    28  C    0.234142
    29  C   -0.011381
    30  C    0.078016
    31  C   -0.049473
    32  C    0.032160
    33  C   -0.025594
    34  C    0.028613
    35  C   -0.065151
    36  N   -0.205314
    37  C    0.708810
    38  O   -0.583940
    39  O   -0.478124
    40  C    0.412482
    41  C   -0.257852
    42  C    0.151721
    43  N   -0.267936
    44  C    0.117452
    45  S    0.137789
    46  C    0.106164
    47  C   -0.018155
    48  C   -0.020979
    49  C   -0.183948
    50  S    0.126414
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1035    Y=             -3.5257    Z=              5.4783  Tot=              6.6075
 N-N= 3.534620774425D+03 E-N=-6.351425478098D+03  KE=-5.412085148355D+02
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.003888479    0.008780311    0.022644381
      2        6          -0.025520762   -0.016478230   -0.022018252
      3        6          -0.005646166    0.001727864   -0.019108713
      4        6          -0.012444111    0.002073008    0.001453293
      5        7           0.070613849    0.091281992   -0.040241456
      6        6          -0.086457974   -0.028247363   -0.015429080
      7        6           0.017264437    0.016622841    0.029143428
      8        7          -0.025254436   -0.027255909   -0.013334787
      9        6           0.002610581    0.010398213   -0.008787755
     10        6           0.007625675   -0.031399298   -0.047885466
     11        8          -0.008629377    0.029783723    0.039351643
     12        7           0.021257680    0.013696356   -0.003776413
     13        6           0.013094101    0.006489134   -0.008267383
     14        6          -0.055422542    0.040779304   -0.025592126
     15        8          -0.000323468   -0.028544099    0.004170855
     16        7           0.076780200   -0.021034998    0.036583472
     17        6          -0.006529028    0.045759414   -0.039357091
     18        6          -0.018674305    0.002319340   -0.012015619
     19        6           0.000896899   -0.007013883   -0.000030994
     20        6           0.029459504    0.022775935   -0.008113447
     21        6           0.027771843   -0.003574162   -0.005121482
     22        6          -0.010058208   -0.031417997    0.005010756
     23        6          -0.007220918   -0.003416854    0.001968715
     24        6          -0.028300953   -0.022444628    0.007093776
     25        6          -0.027980233   -0.031471198    0.006044417
     26        6          -0.019640303    0.030281683   -0.023614611
     27        8           0.040927526   -0.009667362    0.027057528
     28        6           0.019284649   -0.028742087    0.008410353
     29        6          -0.030621013    0.007400361   -0.018055646
     30        6          -0.006919632   -0.021915351   -0.002020712
     31        6          -0.011701875    0.041501155    0.009728928
     32        6          -0.001514780    0.006644810    0.001523441
     33        6          -0.026054806    0.009143477    0.020839875
     34        6          -0.001220226   -0.033465165   -0.000266128
     35        6           0.033863270   -0.008835074   -0.026309361
     36        7          -0.008228425    0.061996817    0.075967574
     37        6          -0.014660897    0.009429795   -0.085654047
     38        8           0.005116767   -0.028339062    0.050297060
     39        8           0.004456377   -0.058303673    0.043918121
     40        6           0.004026256    0.053360316   -0.054305927
     41        6          -0.006957101    0.015540893    0.009767576
     42        6          -0.040923060   -0.082999961    0.046374650
     43        7           0.110133202    0.029776166   -0.062988155
     44        6           0.000428979   -0.010158374    0.002719874
     45       16          -0.053326804    0.047073570    0.013035248
     46        6           0.015950557   -0.010213505    0.032559884
     47        6          -0.003943680    0.008433569    0.018029351
     48        6          -0.000700711   -0.043767720    0.002271133
     49        6          -0.004276900   -0.010871005    0.009841118
     50       16           0.010953093   -0.053496449    0.053131896
     51        1          -0.000756914   -0.006514421    0.005867498
     52        1           0.006152839   -0.011459457   -0.000321242
     53        1           0.005982170    0.012774485    0.003714869
     54        1           0.000399765    0.012675934    0.005762343
     55        1           0.001768804    0.006278161   -0.003652429
     56        1           0.013200084   -0.004953242    0.002286281
     57        1           0.004557247   -0.007151661    0.000815351
     58        1          -0.010666035    0.002711889    0.002575016
     59        1          -0.000383190    0.011242400    0.002729901
     60        1          -0.001110339   -0.006650701    0.000921352
     61        1           0.004506653   -0.005100474    0.001889419
     62        1           0.003152693   -0.004328612   -0.005976956
     63        1           0.000180824   -0.003129620   -0.015384138
     64        1           0.008568935   -0.016481005   -0.016449138
     65        1          -0.011970095    0.012777688   -0.003666357
     66        1           0.000100468    0.009647367   -0.000345854
     67        1           0.005145386    0.010593922   -0.006961453
     68        1           0.003724532    0.005278852   -0.000022620
     69        1           0.008870991    0.007618403   -0.002608241
     70        1           0.011621910   -0.002138285   -0.002306768
     71        1          -0.004781043   -0.000578676    0.000936596
     72        1          -0.008680516   -0.002490794    0.001627110
     73        1          -0.009669797    0.004840967    0.001014402
     74        1          -0.000851048   -0.004418547    0.003055257
     75        1           0.006781081   -0.002897466   -0.000922992
     76        1           0.002855546    0.013960089   -0.011003864
     77        1           0.006261919   -0.002383749    0.001183374
     78        1          -0.006995803   -0.001223483    0.006129414
     79        1           0.001066372    0.005535835   -0.006589724
     80        1           0.002009997   -0.000092247    0.001292232
     81        1          -0.000720953    0.001964415    0.000507899
     82        1          -0.001317672    0.007153901    0.001267994
     83        1           0.003555921    0.001576342   -0.002816900
     84        1          -0.000458868   -0.010430197   -0.000151449
     85        1          -0.004105500   -0.006811779    0.002873604
     86        1          -0.003215138    0.004015465   -0.019935773
     87        1           0.004167268   -0.016310310    0.010830713
     88        1          -0.002887577   -0.008744656    0.002725778
     89        1           0.003937336    0.009395052   -0.004082365
     90        1          -0.010050197   -0.009246581    0.007429339
     91        1           0.000264062    0.000229469    0.001934104
     92        1          -0.001920894   -0.003810506    0.011038152
     93        1           0.002851540    0.011997027   -0.006122931
     94        1          -0.009027685    0.004033311   -0.000519067
     95        1          -0.008861359    0.007693295   -0.011109413
     96        1           0.004535095    0.002624908   -0.000741047
     97        1          -0.003001403    0.002680440    0.003152057
     98        1           0.017961360    0.008050213    0.001486970
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.110133202 RMS     0.023051601

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.089427433 RMS     0.014285478
 Search for a local minimum.
 Step number   1 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
     Eigenvalues ---    0.00315   0.00323   0.00400   0.00486   0.00585
     Eigenvalues ---    0.00623   0.00640   0.00664   0.00799   0.00854
     Eigenvalues ---    0.00860   0.00902   0.00911   0.00925   0.00936
     Eigenvalues ---    0.01031   0.01033   0.01057   0.01082   0.01132
     Eigenvalues ---    0.01181   0.01209   0.01223   0.01230   0.01285
     Eigenvalues ---    0.01361   0.01412   0.01460   0.01462   0.01478
     Eigenvalues ---    0.01489   0.01559   0.01594   0.01597   0.01636
     Eigenvalues ---    0.01713   0.01776   0.01903   0.01954   0.01977
     Eigenvalues ---    0.01990   0.02064   0.02107   0.02168   0.02191
     Eigenvalues ---    0.02202   0.02221   0.02257   0.02273   0.02295
     Eigenvalues ---    0.02337   0.02378   0.02405   0.02409   0.02410
     Eigenvalues ---    0.02447   0.02483   0.02484   0.02528   0.02528
     Eigenvalues ---    0.02645   0.02729   0.02780   0.03383   0.03511
     Eigenvalues ---    0.03642   0.04026   0.04245   0.04294   0.04544
     Eigenvalues ---    0.04610   0.04709   0.04746   0.04771   0.04909
     Eigenvalues ---    0.05077   0.05172   0.05251   0.05351   0.05409
     Eigenvalues ---    0.05415   0.05423   0.05462   0.05713   0.05731
     Eigenvalues ---    0.05787   0.05870   0.05933   0.06189   0.06243
     Eigenvalues ---    0.06390   0.06482   0.06485   0.06491   0.06595
     Eigenvalues ---    0.06777   0.06823   0.07271   0.07637   0.07702
     Eigenvalues ---    0.07873   0.09130   0.09220   0.09266   0.09569
     Eigenvalues ---    0.11048   0.12686   0.12711   0.12780   0.12862
     Eigenvalues ---    0.13850   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16320   0.16651
     Eigenvalues ---    0.16697   0.17074   0.17202   0.17362   0.17684
     Eigenvalues ---    0.18332   0.18354   0.18424   0.19974   0.20165
     Eigenvalues ---    0.21802   0.21895   0.21913   0.21932   0.21950
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.23248   0.23454   0.23466
     Eigenvalues ---    0.23744   0.23776   0.24994   0.24995   0.24997
     Eigenvalues ---    0.24999   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.29047   0.29105   0.29621
     Eigenvalues ---    0.29642   0.29792   0.29928   0.30183   0.30258
     Eigenvalues ---    0.30262   0.30778   0.30982   0.31102   0.31402
     Eigenvalues ---    0.31422   0.31443   0.31503   0.31535   0.31584
     Eigenvalues ---    0.31698   0.32043   0.32170   0.32393   0.32441
     Eigenvalues ---    0.32582   0.32738   0.32777   0.32809   0.32825
     Eigenvalues ---    0.32950   0.32970   0.33064   0.33066   0.33083
     Eigenvalues ---    0.33135   0.33173   0.33218   0.33481   0.33534
     Eigenvalues ---    0.33559   0.33583   0.33676   0.33681   0.33764
     Eigenvalues ---    0.33981   0.33985   0.33994   0.34169   0.34238
     Eigenvalues ---    0.34281   0.34340   0.34355   0.34361   0.34480
     Eigenvalues ---    0.34506   0.34594   0.34722   0.34726   0.34800
     Eigenvalues ---    0.36044   0.36255   0.36290   0.36309   0.36375
     Eigenvalues ---    0.36642   0.36862   0.36965   0.38683   0.38759
     Eigenvalues ---    0.39530   0.41611   0.41716   0.42288   0.42397
     Eigenvalues ---    0.42840   0.42938   0.43173   0.43997   0.44032
     Eigenvalues ---    0.44928   0.45094   0.46686   0.47381   0.48330
     Eigenvalues ---    0.48473   0.48554   0.48596   0.48894   0.49384
     Eigenvalues ---    0.49576   0.50445   0.50724   0.51088   0.51429
     Eigenvalues ---    0.51464   0.58230   0.58735   0.63764   0.66096
     Eigenvalues ---    0.75955   0.77801   0.842161000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-1.93310936D-01 EMin= 3.14685458D-03
 Linear search not attempted -- first point.
 Maximum step size (   0.300) exceeded in Quadratic search.
    -- Step size scaled by   0.486
 Iteration  1 RMS(Cart)=  0.08916297 RMS(Int)=  0.00119201
 Iteration  2 RMS(Cart)=  0.00317769 RMS(Int)=  0.00006082
 Iteration  3 RMS(Cart)=  0.00000424 RMS(Int)=  0.00006079
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00006079
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.81180   0.03389   0.00000   0.03107   0.03107   2.84288
    R2        2.08935  -0.00263   0.00000  -0.00244  -0.00244   2.08692
    R3        2.11875  -0.00965   0.00000  -0.00924  -0.00924   2.10951
    R4        2.11399  -0.01209   0.00000  -0.01152  -0.01152   2.10248
    R5        2.87452   0.02392   0.00000   0.02344   0.02344   2.89797
    R6        2.85253   0.00120   0.00000   0.00115   0.00115   2.85367
    R7        2.08671   0.01108   0.00000   0.01025   0.01025   2.09696
    R8        2.08040  -0.00583   0.00000  -0.00536  -0.00536   2.07504
    R9        2.13138  -0.00949   0.00000  -0.00920  -0.00920   2.12218
   R10        2.07362  -0.00173   0.00000  -0.00158  -0.00158   2.07204
   R11        2.49747   0.02693   0.00000   0.01746   0.01752   2.51498
   R12        3.21450   0.04299   0.00000   0.03610   0.03612   3.25061
   R13        2.46429   0.08556   0.00000   0.05056   0.05060   2.51489
   R14        2.89906   0.00324   0.00000   0.00326   0.00326   2.90232
   R15        2.59046   0.03393   0.00000   0.02421   0.02418   2.61464
   R16        2.69286   0.05333   0.00000   0.04246   0.04246   2.73532
   R17        2.06726   0.01049   0.00000   0.00949   0.00949   2.07675
   R18        2.08748   0.00914   0.00000   0.00846   0.00846   2.09594
   R19        2.77313   0.01353   0.00000   0.01188   0.01188   2.78500
   R20        2.65360  -0.00365   0.00000  -0.00276  -0.00276   2.65084
   R21        2.11914  -0.00679   0.00000  -0.00650  -0.00650   2.11264
   R22        2.09444  -0.00179   0.00000  -0.00167  -0.00167   2.09277
   R23        2.07341   0.00320   0.00000   0.00292   0.00292   2.07632
   R24        2.40173  -0.04991   0.00000  -0.02546  -0.02546   2.37627
   R25        2.66458  -0.01185   0.00000  -0.00910  -0.00910   2.65549
   R26        2.79828   0.01433   0.00000   0.01295   0.01295   2.81123
   R27        1.96121  -0.01374   0.00000  -0.01096  -0.01096   1.95025
   R28        2.81380   0.03441   0.00000   0.03162   0.03162   2.84542
   R29        2.82115   0.05438   0.00000   0.05038   0.05038   2.87153
   R30        2.06735   0.02421   0.00000   0.02192   0.02192   2.08927
   R31        2.35719  -0.02766   0.00000  -0.01298  -0.01298   2.34421
   R32        2.67867  -0.02408   0.00000  -0.01882  -0.01882   2.65985
   R33        2.67457   0.04638   0.00000   0.03606   0.03606   2.71063
   R34        1.98897  -0.01636   0.00000  -0.01351  -0.01351   1.97547
   R35        2.89784   0.02598   0.00000   0.02607   0.02607   2.92391
   R36        2.79301   0.04861   0.00000   0.04364   0.04364   2.83666
   R37        2.15425   0.00950   0.00000   0.00944   0.00944   2.16369
   R38        2.76930   0.03897   0.00000   0.03405   0.03405   2.80336
   R39        2.06128   0.01222   0.00000   0.01099   0.01099   2.07227
   R40        2.11704  -0.00266   0.00000  -0.00254  -0.00254   2.11449
   R41        2.60549   0.04148   0.00000   0.03003   0.03005   2.63554
   R42        2.59368   0.04155   0.00000   0.02871   0.02870   2.62238
   R43        2.58534   0.03566   0.00000   0.02535   0.02538   2.61072
   R44        2.03601   0.01198   0.00000   0.01046   0.01046   2.04647
   R45        2.58047   0.04816   0.00000   0.03309   0.03310   2.61357
   R46        2.02755   0.01195   0.00000   0.01034   0.01034   2.03789
   R47        2.61585   0.02137   0.00000   0.01469   0.01467   2.63052
   R48        2.06484  -0.00067   0.00000  -0.00060  -0.00060   2.06423
   R49        2.64296   0.00874   0.00000   0.00563   0.00560   2.64856
   R50        2.03090   0.00810   0.00000   0.00703   0.00703   2.03793
   R51        2.02599   0.01063   0.00000   0.00917   0.00917   2.03516
   R52        2.82206   0.03254   0.00000   0.03017   0.03017   2.85223
   R53        2.09515   0.00491   0.00000   0.00458   0.00458   2.09973
   R54        2.14144  -0.00562   0.00000  -0.00551  -0.00551   2.13593
   R55        2.60492   0.05513   0.00000   0.03900   0.03900   2.64392
   R56        2.88683   0.05281   0.00000   0.05241   0.05241   2.93924
   R57        2.09139   0.01542   0.00000   0.01434   0.01434   2.10572
   R58        1.86119  -0.00031   0.00000  -0.00022  -0.00022   1.86097
   R59        2.79639   0.04689   0.00000   0.04226   0.04226   2.83865
   R60        2.73275   0.03892   0.00000   0.03257   0.03257   2.76532
   R61        2.14807   0.00159   0.00000   0.00157   0.00157   2.14964
   R62        2.81031   0.01953   0.00000   0.01788   0.01788   2.82819
   R63        2.10534   0.00710   0.00000   0.00670   0.00670   2.11203
   R64        2.10045  -0.00087   0.00000  -0.00082  -0.00082   2.09963
   R65        2.58566   0.03809   0.00000   0.02596   0.02595   2.61162
   R66        2.64702   0.02357   0.00000   0.01800   0.01801   2.66503
   R67        2.64318   0.00731   0.00000   0.00490   0.00489   2.64807
   R68        2.06760   0.00178   0.00000   0.00162   0.00162   2.06921
   R69        2.61130   0.02220   0.00000   0.01555   0.01554   2.62684
   R70        2.03684   0.00601   0.00000   0.00525   0.00525   2.04209
   R71        2.58977   0.04265   0.00000   0.02977   0.02977   2.61954
   R72        2.07872  -0.00480   0.00000  -0.00440  -0.00440   2.07432
   R73        2.57687   0.03089   0.00000   0.02149   0.02150   2.59838
   R74        2.03499   0.01030   0.00000   0.00899   0.00899   2.04398
   R75        2.06931   0.00024   0.00000   0.00022   0.00022   2.06953
   R76        2.68558  -0.04727   0.00000  -0.03729  -0.03729   2.64829
   R77        2.00084  -0.02030   0.00000  -0.01701  -0.01701   1.98383
   R78        2.39123  -0.05781   0.00000  -0.02893  -0.02893   2.36231
   R79        2.60295  -0.00649   0.00000  -0.00458  -0.00458   2.59837
   R80        2.63366   0.02616   0.00000   0.01926   0.01926   2.65291
   R81        2.84911  -0.00398   0.00000  -0.00380  -0.00380   2.84531
   R82        2.06858   0.00271   0.00000   0.00245   0.00245   2.07104
   R83        2.12519  -0.00115   0.00000  -0.00111  -0.00111   2.12408
   R84        2.59102   0.04025   0.00000   0.02981   0.02974   2.62076
   R85        3.23838   0.01172   0.00000   0.00868   0.00859   3.24697
   R86        2.44616   0.08943   0.00000   0.05139   0.05143   2.49759
   R87        2.10765  -0.00904   0.00000  -0.00856  -0.00856   2.09910
   R88        2.50287   0.01698   0.00000   0.01081   0.01091   2.51378
   R89        3.22588   0.03623   0.00000   0.02923   0.02927   3.25516
   R90        2.09104  -0.01546   0.00000  -0.01436  -0.01436   2.07668
   R91        2.86046   0.03259   0.00000   0.03148   0.03148   2.89194
   R92        2.81515   0.03058   0.00000   0.02814   0.02814   2.84329
   R93        2.15080   0.00075   0.00000   0.00075   0.00075   2.15154
   R94        2.10130  -0.00747   0.00000  -0.00702  -0.00702   2.09428
   R95        2.11763  -0.01141   0.00000  -0.01091  -0.01091   2.10672
   R96        2.09360  -0.00511   0.00000  -0.00476  -0.00476   2.08884
   R97        2.14300  -0.01581   0.00000  -0.01552  -0.01552   2.12748
   R98        2.09389  -0.00473   0.00000  -0.00441  -0.00441   2.08947
   R99        2.09791  -0.00480   0.00000  -0.00449  -0.00449   2.09342
   R100       3.22646   0.01265   0.00000   0.00871   0.00865   3.23512
   R101       2.08939  -0.01858   0.00000  -0.01723  -0.01723   2.07216
    A1        1.88613   0.00825   0.00000   0.01143   0.01136   1.89750
    A2        1.88884   0.00919   0.00000   0.01302   0.01294   1.90178
    A3        1.93937   0.00702   0.00000   0.00917   0.00913   1.94850
    A4        1.84781  -0.00499   0.00000  -0.00575  -0.00586   1.84195
    A5        1.94779  -0.00987   0.00000  -0.01434  -0.01437   1.93342
    A6        1.95000  -0.00914   0.00000  -0.01278  -0.01283   1.93717
    A7        1.96493  -0.00297   0.00000  -0.00334  -0.00337   1.96156
    A8        1.92114   0.00184   0.00000   0.00318   0.00318   1.92432
    A9        2.01307  -0.00480   0.00000  -0.01007  -0.01007   2.00301
   A10        1.84185   0.00501   0.00000   0.00854   0.00854   1.85039
   A11        1.86264   0.00287   0.00000   0.00450   0.00447   1.86710
   A12        1.84889  -0.00099   0.00000  -0.00109  -0.00112   1.84777
   A13        1.96547   0.00058   0.00000   0.00003   0.00001   1.96548
   A14        1.83957   0.01622   0.00000   0.02336   0.02327   1.86284
   A15        1.91297   0.00482   0.00000   0.00624   0.00618   1.91915
   A16        1.91198  -0.00767   0.00000  -0.00998  -0.01003   1.90194
   A17        1.98800  -0.00741   0.00000  -0.01194  -0.01194   1.97607
   A18        1.83541  -0.00523   0.00000  -0.00548  -0.00563   1.82978
   A19        2.23851  -0.02162   0.00000  -0.02357  -0.02360   2.21491
   A20        2.25123  -0.01962   0.00000  -0.02138  -0.02142   2.22981
   A21        1.79335   0.04124   0.00000   0.04496   0.04503   1.83837
   A22        2.08599  -0.04141   0.00000  -0.03870  -0.03859   2.04741
   A23        2.09338   0.00114   0.00000  -0.00047  -0.00047   2.09291
   A24        2.04750  -0.01072   0.00000  -0.00829  -0.00829   2.03921
   A25        2.14208   0.00958   0.00000   0.00878   0.00878   2.15087
   A26        1.86265   0.01464   0.00000   0.01825   0.01824   1.88088
   A27        1.88523  -0.00138   0.00000  -0.00056  -0.00056   1.88467
   A28        1.93387  -0.00779   0.00000  -0.01027  -0.01034   1.92353
   A29        1.99535  -0.00636   0.00000  -0.00799  -0.00800   1.98735
   A30        1.89483   0.00199   0.00000   0.00506   0.00509   1.89992
   A31        1.89220  -0.00135   0.00000  -0.00478  -0.00481   1.88740
   A32        2.03228   0.00810   0.00000   0.00888   0.00888   2.04116
   A33        2.12570   0.00985   0.00000   0.01080   0.01080   2.13650
   A34        2.12521  -0.01795   0.00000  -0.01968  -0.01968   2.10552
   A35        1.92693   0.00010   0.00000   0.00095   0.00094   1.92787
   A36        1.92787  -0.00083   0.00000  -0.00166  -0.00165   1.92622
   A37        1.90002   0.00587   0.00000   0.00775   0.00774   1.90776
   A38        1.84610   0.00205   0.00000   0.00346   0.00346   1.84956
   A39        1.86243   0.00001   0.00000   0.00108   0.00106   1.86349
   A40        1.99855  -0.00723   0.00000  -0.01146  -0.01145   1.98710
   A41        2.05790   0.00987   0.00000   0.01082   0.01082   2.06873
   A42        2.12810  -0.00970   0.00000  -0.01063  -0.01063   2.11747
   A43        2.09718  -0.00017   0.00000  -0.00019  -0.00019   2.09699
   A44        2.03907   0.00591   0.00000   0.00695   0.00694   2.04600
   A45        2.18215  -0.00630   0.00000  -0.00808  -0.00809   2.17406
   A46        2.06197   0.00040   0.00000   0.00114   0.00113   2.06309
   A47        1.90748  -0.00620   0.00000  -0.00713  -0.00709   1.90039
   A48        1.83432   0.01755   0.00000   0.02415   0.02416   1.85848
   A49        1.85609  -0.00374   0.00000  -0.00460  -0.00465   1.85144
   A50        2.00041  -0.00764   0.00000  -0.00937  -0.00936   1.99105
   A51        1.93284   0.00244   0.00000   0.00015   0.00010   1.93294
   A52        1.92462  -0.00163   0.00000  -0.00194  -0.00198   1.92264
   A53        2.06375   0.02003   0.00000   0.02197   0.02197   2.08572
   A54        2.14929  -0.02113   0.00000  -0.02317  -0.02317   2.12613
   A55        2.07013   0.00110   0.00000   0.00120   0.00120   2.07133
   A56        2.17144  -0.00894   0.00000  -0.01051  -0.01051   2.16093
   A57        2.01932   0.01129   0.00000   0.01464   0.01464   2.03396
   A58        2.09239  -0.00234   0.00000  -0.00411  -0.00411   2.08828
   A59        1.92903   0.00450   0.00000   0.00509   0.00508   1.93411
   A60        2.07726  -0.01348   0.00000  -0.01896  -0.01895   2.05831
   A61        1.84522   0.00278   0.00000   0.00392   0.00393   1.84915
   A62        1.93682   0.00520   0.00000   0.00596   0.00594   1.94275
   A63        1.80623  -0.00125   0.00000   0.00074   0.00070   1.80693
   A64        1.84440   0.00359   0.00000   0.00578   0.00577   1.85017
   A65        1.95502   0.00716   0.00000   0.00917   0.00917   1.96419
   A66        1.93160  -0.00539   0.00000  -0.00807  -0.00811   1.92349
   A67        1.92551  -0.00326   0.00000  -0.00467  -0.00471   1.92080
   A68        1.89632   0.00151   0.00000   0.00379   0.00382   1.90014
   A69        1.88769   0.00058   0.00000   0.00264   0.00265   1.89034
   A70        1.86485  -0.00077   0.00000  -0.00310  -0.00315   1.86171
   A71        2.09445   0.00110   0.00000   0.00082   0.00081   2.09526
   A72        2.15517  -0.00773   0.00000  -0.00887  -0.00888   2.14629
   A73        2.03338   0.00664   0.00000   0.00808   0.00809   2.04147
   A74        2.14965  -0.01231   0.00000  -0.01196  -0.01192   2.13773
   A75        2.06822   0.00650   0.00000   0.00646   0.00643   2.07465
   A76        2.06531   0.00581   0.00000   0.00551   0.00548   2.07080
   A77        2.09798  -0.00321   0.00000  -0.00196  -0.00192   2.09606
   A78        2.09871   0.00012   0.00000  -0.00107  -0.00109   2.09762
   A79        2.08650   0.00309   0.00000   0.00303   0.00301   2.08950
   A80        2.06917   0.00551   0.00000   0.00585   0.00584   2.07501
   A81        2.07147   0.00226   0.00000   0.00398   0.00398   2.07545
   A82        2.14255  -0.00777   0.00000  -0.00983  -0.00982   2.13272
   A83        2.09827   0.00287   0.00000   0.00102   0.00097   2.09924
   A84        2.06286   0.00293   0.00000   0.00550   0.00553   2.06838
   A85        2.12205  -0.00581   0.00000  -0.00652  -0.00650   2.11555
   A86        2.11793   0.00049   0.00000  -0.00103  -0.00107   2.11686
   A87        2.12161  -0.00249   0.00000  -0.00258  -0.00256   2.11905
   A88        2.04364   0.00200   0.00000   0.00360   0.00362   2.04726
   A89        2.02569  -0.00430   0.00000  -0.00509  -0.00509   2.02060
   A90        1.90358   0.00407   0.00000   0.00530   0.00530   1.90888
   A91        1.91878  -0.00300   0.00000  -0.00500  -0.00499   1.91380
   A92        1.93152  -0.00175   0.00000  -0.00315  -0.00314   1.92838
   A93        1.84386   0.00607   0.00000   0.00903   0.00903   1.85288
   A94        1.82969  -0.00085   0.00000  -0.00081  -0.00080   1.82889
   A95        1.99745  -0.01365   0.00000  -0.02049  -0.02050   1.97695
   A96        1.95677   0.00187   0.00000   0.00186   0.00188   1.95865
   A97        1.93274  -0.00157   0.00000  -0.00383  -0.00386   1.92889
   A98        1.83316   0.00700   0.00000   0.00901   0.00898   1.84214
   A99        1.88303   0.00466   0.00000   0.00770   0.00755   1.89058
   A100       1.85205   0.00331   0.00000   0.00854   0.00851   1.86055
   A101       1.90132   0.01147   0.00000   0.01578   0.01578   1.91710
   A102       2.00940  -0.00822   0.00000  -0.00942  -0.00941   1.99999
   A103       1.85086   0.01435   0.00000   0.02000   0.02001   1.87087
   A104       1.79728   0.00244   0.00000   0.00489   0.00490   1.80218
   A105       1.96475  -0.00412   0.00000  -0.00522  -0.00520   1.95955
   A106       1.94324   0.00151   0.00000  -0.00064  -0.00067   1.94257
   A107       1.88669  -0.00504   0.00000  -0.00833  -0.00841   1.87828
   A108       1.90838   0.01193   0.00000   0.01459   0.01458   1.92296
   A109       1.91506  -0.00193   0.00000  -0.00120  -0.00127   1.91379
   A110       1.99342  -0.00654   0.00000  -0.00969  -0.00968   1.98375
   A111       1.87306  -0.00002   0.00000   0.00280   0.00276   1.87582
   A112       1.93555  -0.00457   0.00000  -0.00595  -0.00591   1.92964
   A113       1.83352   0.00087   0.00000  -0.00057  -0.00058   1.83294
   A114       2.17634  -0.01140   0.00000  -0.01263  -0.01263   2.16371
   A115       2.09842  -0.00225   0.00000  -0.00259  -0.00259   2.09583
   A116       2.00843   0.01365   0.00000   0.01521   0.01522   2.02365
   A117       2.15277  -0.00684   0.00000  -0.00910  -0.00911   2.14366
   A118       2.07241   0.00466   0.00000   0.00626   0.00627   2.07868
   A119       2.05798   0.00217   0.00000   0.00284   0.00285   2.06083
   A120       2.08437   0.00291   0.00000   0.00225   0.00223   2.08660
   A121       2.12456  -0.00583   0.00000  -0.00714  -0.00713   2.11743
   A122       2.07425   0.00292   0.00000   0.00489   0.00490   2.07914
   A123       2.06388   0.00613   0.00000   0.00731   0.00731   2.07119
   A124       2.10611  -0.00305   0.00000  -0.00363  -0.00363   2.10248
   A125       2.11319  -0.00308   0.00000  -0.00368  -0.00368   2.10952
   A126       2.11634  -0.00614   0.00000  -0.00578  -0.00576   2.11058
   A127       2.07150   0.00481   0.00000   0.00528   0.00528   2.07677
   A128       2.09535   0.00133   0.00000   0.00049   0.00048   2.09583
   A129       2.14058  -0.00972   0.00000  -0.00991  -0.00988   2.13069
   A130       1.99711   0.01360   0.00000   0.01698   0.01697   2.01408
   A131       2.14550  -0.00389   0.00000  -0.00708  -0.00709   2.13841
   A132       2.15766  -0.00222   0.00000  -0.00261  -0.00261   2.15505
   A133       2.08963  -0.00194   0.00000  -0.00289  -0.00290   2.08673
   A134       2.03590   0.00416   0.00000   0.00550   0.00550   2.04139
   A135       2.12456   0.01717   0.00000   0.01883   0.01882   2.14338
   A136       2.11043  -0.04283   0.00000  -0.04696  -0.04696   2.06347
   A137       2.04820   0.02566   0.00000   0.02813   0.02813   2.07632
   A138       2.19519  -0.02363   0.00000  -0.02591  -0.02591   2.16928
   A139       1.87613   0.03513   0.00000   0.04139   0.04137   1.91750
   A140       1.99465  -0.02602   0.00000  -0.03859  -0.03866   1.95598
   A141       1.96280  -0.01317   0.00000  -0.01584  -0.01655   1.94625
   A142       1.94305  -0.00700   0.00000  -0.00726  -0.00695   1.93609
   A143       1.82983   0.00678   0.00000   0.01644   0.01636   1.84620
   A144       1.85133   0.00589   0.00000   0.00721   0.00688   1.85820
   A145       2.23898   0.00141   0.00000   0.00135   0.00144   2.24041
   A146       2.27450  -0.02941   0.00000  -0.03245  -0.03236   2.24214
   A147       1.76971   0.02800   0.00000   0.03110   0.03092   1.80063
   A148       2.05591  -0.01074   0.00000  -0.00664  -0.00668   2.04922
   A149       2.10710   0.01190   0.00000   0.01230   0.01232   2.11943
   A150       2.12017  -0.00116   0.00000  -0.00566  -0.00564   2.11452
   A151       2.09141  -0.04425   0.00000  -0.04321  -0.04303   2.04838
   A152       1.78684   0.04641   0.00000   0.05093   0.05107   1.83791
   A153       2.21441  -0.02147   0.00000  -0.02308  -0.02315   2.19126
   A154       2.28194  -0.02494   0.00000  -0.02785  -0.02792   2.25402
   A155       1.72091  -0.01941   0.00000  -0.03217  -0.03227   1.68864
   A156       1.96476   0.00527   0.00000   0.00696   0.00698   1.97174
   A157       2.03093  -0.01279   0.00000  -0.01741  -0.01741   2.01352
   A158       1.82710   0.00326   0.00000   0.00473   0.00472   1.83182
   A159       1.90343   0.00598   0.00000   0.00749   0.00751   1.91094
   A160       1.88485  -0.00368   0.00000  -0.00404  -0.00406   1.88078
   A161       1.84187   0.00190   0.00000   0.00234   0.00234   1.84422
   A162       1.92785   0.00862   0.00000   0.01148   0.01142   1.93927
   A163       1.92055   0.00570   0.00000   0.00761   0.00756   1.92811
   A164       1.87806   0.01030   0.00000   0.01475   0.01466   1.89272
   A165       1.94695  -0.01025   0.00000  -0.01516  -0.01518   1.93177
   A166       1.93196  -0.00860   0.00000  -0.01142  -0.01153   1.92043
   A167       1.85601  -0.00557   0.00000  -0.00687  -0.00695   1.84906
   A168       1.93338   0.00128   0.00000   0.00194   0.00193   1.93532
   A169       2.01060  -0.00455   0.00000  -0.00680  -0.00680   2.00381
   A170       1.95967   0.00239   0.00000   0.00364   0.00364   1.96330
   A171       1.86982   0.00027   0.00000  -0.00027  -0.00028   1.86954
   A172       1.80505   0.00062   0.00000   0.00194   0.00193   1.80697
   A173       1.87170   0.00043   0.00000   0.00028   0.00029   1.87199
   A174       1.77608   0.03150   0.00000   0.03429   0.03419   1.81028
   A175       2.23373  -0.00884   0.00000  -0.00764  -0.00759   2.22614
   A176       2.27337  -0.02266   0.00000  -0.02665  -0.02660   2.24677
   A177       1.72185  -0.02061   0.00000  -0.03225  -0.03234   1.68952
    D1        0.91303  -0.00392   0.00000  -0.00723  -0.00724   0.90579
    D2        2.96262   0.00169   0.00000   0.00346   0.00344   2.96605
    D3       -1.23027  -0.00153   0.00000  -0.00254  -0.00257  -1.23284
    D4        2.90656  -0.00090   0.00000  -0.00155  -0.00152   2.90504
    D5       -1.32703   0.00471   0.00000   0.00914   0.00915  -1.31788
    D6        0.76326   0.00148   0.00000   0.00314   0.00315   0.76641
    D7       -1.22951  -0.00161   0.00000  -0.00284  -0.00282  -1.23233
    D8        0.82008   0.00401   0.00000   0.00785   0.00785   0.82793
    D9        2.91038   0.00078   0.00000   0.00185   0.00185   2.91222
   D10        0.72275   0.00151   0.00000   0.00316   0.00315   0.72591
   D11        2.80643   0.00279   0.00000   0.00584   0.00581   2.81225
   D12       -1.50958   0.00705   0.00000   0.01403   0.01408  -1.49550
   D13       -1.37324  -0.00227   0.00000  -0.00432  -0.00432  -1.37756
   D14        0.71044  -0.00100   0.00000  -0.00165  -0.00166   0.70878
   D15        2.67761   0.00327   0.00000   0.00655   0.00660   2.68422
   D16        2.94828  -0.00457   0.00000  -0.00875  -0.00878   2.93950
   D17       -1.25122  -0.00330   0.00000  -0.00608  -0.00612  -1.25735
   D18        0.71595   0.00097   0.00000   0.00212   0.00214   0.71809
   D19        2.74325  -0.00185   0.00000  -0.00452  -0.00454   2.73871
   D20       -0.38023  -0.00247   0.00000  -0.00581  -0.00582  -0.38605
   D21       -1.41538  -0.00139   0.00000  -0.00163  -0.00163  -1.41701
   D22        1.74432  -0.00201   0.00000  -0.00293  -0.00291   1.74142
   D23        0.55592   0.00356   0.00000   0.00661   0.00660   0.56252
   D24       -2.56756   0.00294   0.00000   0.00532   0.00532  -2.56224
   D25       -3.12726  -0.00046   0.00000  -0.00119  -0.00120  -3.12846
   D26       -0.00010  -0.00032   0.00000  -0.00056  -0.00056  -0.00066
   D27        3.12651   0.00022   0.00000   0.00072   0.00073   3.12725
   D28       -0.00050   0.00010   0.00000   0.00010   0.00011  -0.00039
   D29       -3.11897  -0.00004   0.00000  -0.00001  -0.00002  -3.11899
   D30        0.00088   0.00045   0.00000   0.00090   0.00089   0.00177
   D31        1.77967   0.00251   0.00000   0.00431   0.00427   1.78393
   D32       -2.35038   0.00270   0.00000   0.00513   0.00513  -2.34525
   D33       -0.28016  -0.00428   0.00000  -0.00696  -0.00692  -0.28709
   D34       -1.33897   0.00226   0.00000   0.00356   0.00352  -1.33545
   D35        0.81418   0.00244   0.00000   0.00439   0.00439   0.81856
   D36        2.88439  -0.00454   0.00000  -0.00770  -0.00767   2.87672
   D37       -0.00111  -0.00033   0.00000  -0.00072  -0.00073  -0.00184
   D38        3.13890   0.00026   0.00000   0.00065   0.00065   3.13955
   D39        3.11809   0.00005   0.00000   0.00009   0.00008   3.11817
   D40       -0.02509   0.00065   0.00000   0.00146   0.00146  -0.02362
   D41       -1.50035   0.00198   0.00000   0.00319   0.00315  -1.49720
   D42        1.63994   0.00146   0.00000   0.00199   0.00193   1.64187
   D43        2.69971  -0.00256   0.00000  -0.00386  -0.00384   2.69587
   D44       -0.44319  -0.00308   0.00000  -0.00507  -0.00506  -0.44825
   D45        0.58493   0.00196   0.00000   0.00389   0.00393   0.58887
   D46       -2.55796   0.00144   0.00000   0.00268   0.00271  -2.55525
   D47       -0.47750  -0.00114   0.00000  -0.00243  -0.00243  -0.47993
   D48       -2.51320  -0.00321   0.00000  -0.00625  -0.00624  -2.51945
   D49        1.56149   0.00240   0.00000   0.00399   0.00401   1.56550
   D50        2.66540  -0.00064   0.00000  -0.00124  -0.00126   2.66415
   D51        0.62969  -0.00271   0.00000  -0.00506  -0.00507   0.62462
   D52       -1.57880   0.00289   0.00000   0.00517   0.00518  -1.57362
   D53       -3.07836  -0.00026   0.00000  -0.00059  -0.00059  -3.07895
   D54        0.06476  -0.00127   0.00000  -0.00294  -0.00295   0.06181
   D55        0.06186  -0.00079   0.00000  -0.00184  -0.00183   0.06003
   D56       -3.07821  -0.00180   0.00000  -0.00419  -0.00419  -3.08240
   D57       -3.12571  -0.00265   0.00000  -0.00630  -0.00629  -3.13200
   D58        0.01466   0.00136   0.00000   0.00328   0.00326   0.01792
   D59        0.01744  -0.00370   0.00000  -0.00871  -0.00869   0.00875
   D60       -3.12538   0.00032   0.00000   0.00086   0.00085  -3.12453
   D61       -1.72992   0.00057   0.00000   0.00277   0.00277  -1.72715
   D62        2.39830   0.00265   0.00000   0.00349   0.00350   2.40180
   D63        0.35723  -0.00198   0.00000  -0.00349  -0.00347   0.35376
   D64        1.41281  -0.00315   0.00000  -0.00612  -0.00614   1.40667
   D65       -0.74216  -0.00107   0.00000  -0.00540  -0.00541  -0.74757
   D66       -2.78323  -0.00570   0.00000  -0.01238  -0.01238  -2.79561
   D67       -0.07962  -0.00862   0.00000  -0.01459  -0.01459  -0.09421
   D68        3.05641  -0.00849   0.00000  -0.01423  -0.01424   3.04218
   D69        1.97359   0.00448   0.00000   0.00515   0.00514   1.97874
   D70       -1.17355   0.00461   0.00000   0.00550   0.00550  -1.16805
   D71       -2.11877  -0.00176   0.00000  -0.00478  -0.00477  -2.12354
   D72        1.01727  -0.00163   0.00000  -0.00443  -0.00442   1.01285
   D73        1.05606  -0.00137   0.00000   0.00011   0.00010   1.05616
   D74       -3.01196   0.00067   0.00000   0.00176   0.00173  -3.01023
   D75       -0.98687  -0.00159   0.00000  -0.00143  -0.00146  -0.98833
   D76       -1.03832  -0.00129   0.00000  -0.00218  -0.00214  -1.04046
   D77        1.17685   0.00074   0.00000  -0.00053  -0.00051   1.17634
   D78       -3.08124  -0.00152   0.00000  -0.00372  -0.00371  -3.08495
   D79        3.04976   0.00277   0.00000   0.00658   0.00660   3.05636
   D80       -1.01826   0.00481   0.00000   0.00823   0.00823  -1.01003
   D81        1.00683   0.00255   0.00000   0.00504   0.00504   1.01187
   D82       -3.13046  -0.00204   0.00000  -0.00476  -0.00477  -3.13523
   D83        0.00191  -0.00067   0.00000  -0.00154  -0.00153   0.00038
   D84        0.00556  -0.00184   0.00000  -0.00434  -0.00435   0.00120
   D85        3.13792  -0.00048   0.00000  -0.00112  -0.00111   3.13681
   D86        2.02403   0.00063   0.00000   0.00257   0.00257   2.02659
   D87       -1.98772   0.00015   0.00000  -0.00139  -0.00140  -1.98912
   D88        0.08050  -0.00137   0.00000  -0.00258  -0.00259   0.07792
   D89       -1.10798  -0.00085   0.00000  -0.00086  -0.00086  -1.10883
   D90        1.16346  -0.00132   0.00000  -0.00483  -0.00482   1.15864
   D91       -3.05150  -0.00285   0.00000  -0.00602  -0.00601  -3.05751
   D92        1.02810  -0.00470   0.00000  -0.00758  -0.00759   1.02050
   D93       -1.09101  -0.00777   0.00000  -0.01307  -0.01306  -1.10407
   D94        3.13197  -0.00143   0.00000  -0.00131  -0.00134   3.13064
   D95       -1.31560   0.00541   0.00000   0.00898   0.00898  -1.30661
   D96        2.84848   0.00235   0.00000   0.00349   0.00352   2.85200
   D97        0.78828   0.00869   0.00000   0.01525   0.01524   0.80352
   D98        2.99668  -0.00027   0.00000  -0.00058  -0.00058   2.99610
   D99        0.87757  -0.00334   0.00000  -0.00607  -0.00604   0.87153
   D100      -1.18263   0.00300   0.00000   0.00569   0.00567  -1.17695
   D101       1.06106  -0.00228   0.00000  -0.00261  -0.00263   1.05843
   D102      -1.13433  -0.00002   0.00000   0.00111   0.00110  -1.13323
   D103      -3.13145   0.00037   0.00000   0.00184   0.00184  -3.12961
   D104      -2.95420  -0.00312   0.00000  -0.00706  -0.00707  -2.96128
   D105       1.13359  -0.00086   0.00000  -0.00334  -0.00335   1.13024
   D106      -0.86353  -0.00047   0.00000  -0.00260  -0.00260  -0.86613
   D107      -1.00760  -0.00034   0.00000  -0.00048  -0.00047  -1.00807
   D108       3.08020   0.00192   0.00000   0.00324   0.00326   3.08345
   D109       1.08308   0.00231   0.00000   0.00398   0.00400   1.08708
   D110      -1.63272   0.00060   0.00000   0.00108   0.00108  -1.63164
   D111       1.48762   0.00126   0.00000   0.00252   0.00252   1.49014
   D112       0.50657  -0.00045   0.00000  -0.00044  -0.00043   0.50614
   D113      -2.65628   0.00021   0.00000   0.00100   0.00101  -2.65527
   D114       2.52477  -0.00026   0.00000  -0.00070  -0.00071   2.52406
   D115      -0.63808   0.00040   0.00000   0.00074   0.00073  -0.63735
   D116       3.12155   0.00028   0.00000   0.00074   0.00074   3.12229
   D117      -0.02393   0.00018   0.00000   0.00049   0.00050  -0.02343
   D118      -0.00023  -0.00016   0.00000  -0.00041  -0.00042  -0.00065
   D119       3.13748  -0.00027   0.00000  -0.00066  -0.00066   3.13682
   D120      -3.12020  -0.00041   0.00000  -0.00092  -0.00091  -3.12111
   D121       0.02546  -0.00013   0.00000  -0.00029  -0.00029   0.02517
   D122       0.00083   0.00017   0.00000   0.00041   0.00041   0.00124
   D123      -3.13670   0.00045   0.00000   0.00103   0.00103  -3.13567
   D124      -0.00036   0.00004   0.00000   0.00011   0.00011  -0.00025
   D125      -3.14154  -0.00010   0.00000  -0.00022  -0.00022   3.14142
   D126      -3.13808   0.00014   0.00000   0.00035   0.00035  -3.13773
   D127       0.00393   0.00000   0.00000   0.00002   0.00002   0.00395
   D128       0.00035   0.00010   0.00000   0.00022   0.00022   0.00057
   D129       3.14094  -0.00011   0.00000  -0.00026  -0.00027   3.14067
   D130       3.14153   0.00024   0.00000   0.00055   0.00055  -3.14111
   D131      -0.00106   0.00002   0.00000   0.00006   0.00006  -0.00101
   D132       0.00024  -0.00009   0.00000  -0.00022  -0.00022   0.00002
   D133      -3.13726  -0.00033   0.00000  -0.00075  -0.00075  -3.13801
   D134      -3.14031   0.00012   0.00000   0.00028   0.00027  -3.14003
   D135       0.00538  -0.00011   0.00000  -0.00025  -0.00025   0.00512
   D136      -0.00085  -0.00004   0.00000  -0.00010  -0.00010  -0.00095
   D137       3.13685  -0.00032   0.00000  -0.00071  -0.00071   3.13614
   D138       3.13651   0.00022   0.00000   0.00048   0.00047   3.13698
   D139      -0.00898  -0.00006   0.00000  -0.00014  -0.00014  -0.00911
   D140      -1.04235   0.00060   0.00000  -0.00013  -0.00016  -1.04251
   D141      -3.12782  -0.00014   0.00000   0.00145   0.00142  -3.12640
   D142       1.09050  -0.00447   0.00000  -0.00797  -0.00795   1.08255
   D143       1.13882   0.00122   0.00000   0.00036   0.00034   1.13916
   D144      -0.94665   0.00048   0.00000   0.00193   0.00192  -0.94473
   D145      -3.01151  -0.00385   0.00000  -0.00748  -0.00744  -3.01896
   D146       3.11003   0.00262   0.00000   0.00273   0.00271   3.11274
   D147       1.02456   0.00188   0.00000   0.00430   0.00429   1.02885
   D148      -1.04031  -0.00245   0.00000  -0.00511  -0.00508  -1.04538
   D149       2.41785  -0.00396   0.00000  -0.00697  -0.00697   2.41087
   D150      -1.71186  -0.00504   0.00000  -0.01085  -0.01090  -1.72276
   D151       0.25814   0.00396   0.00000   0.00631   0.00637   0.26450
   D152      -0.85903  -0.00407   0.00000  -0.00591  -0.00593  -0.86496
   D153      -3.04375  -0.00426   0.00000  -0.00824  -0.00821  -3.05196
   D154       1.25929  -0.00508   0.00000  -0.00857  -0.00863   1.25066
   D155      -3.03834   0.00694   0.00000   0.01221   0.01223  -3.02610
   D156       1.06013   0.00675   0.00000   0.00988   0.00995   1.07008
   D157      -0.92002   0.00592   0.00000   0.00955   0.00954  -0.91048
   D158       1.25306  -0.00276   0.00000  -0.00400  -0.00401   1.24905
   D159      -0.93166  -0.00295   0.00000  -0.00633  -0.00630  -0.93795
   D160      -2.91181  -0.00377   0.00000  -0.00666  -0.00671  -2.91851
   D161       3.13331  -0.00644   0.00000  -0.01110  -0.01111   3.12220
   D162      -1.09995  -0.00059   0.00000   0.00015   0.00016  -1.09979
   D163       0.95309  -0.00500   0.00000  -0.00760  -0.00758   0.94551
   D164      -1.02562   0.00322   0.00000   0.00438   0.00437  -1.02125
   D165       1.02431   0.00908   0.00000   0.01563   0.01564   1.03994
   D166       3.07734   0.00466   0.00000   0.00788   0.00790   3.08524
   D167       1.09625  -0.00516   0.00000  -0.01061  -0.01064   1.08561
   D168      -3.13701   0.00070   0.00000   0.00064   0.00062  -3.13639
   D169      -1.08397  -0.00372   0.00000  -0.00712  -0.00711  -1.09109
   D170       1.15314  -0.00139   0.00000   0.00049   0.00052   1.15366
   D171      -1.98751  -0.00401   0.00000  -0.00570  -0.00567  -1.99318
   D172      -1.05880   0.00130   0.00000   0.00131   0.00132  -1.05748
   D173       2.08373  -0.00132   0.00000  -0.00488  -0.00486   2.07887
   D174       3.07067   0.00572   0.00000   0.01154   0.01148   3.08216
   D175      -0.06998   0.00310   0.00000   0.00534   0.00530  -0.06468
   D176       1.60715   0.00283   0.00000   0.00578   0.00580   1.61296
   D177      -1.53538   0.00276   0.00000   0.00561   0.00563  -1.52975
   D178      -0.46901  -0.00143   0.00000  -0.00243  -0.00245  -0.47146
   D179       2.67164  -0.00150   0.00000  -0.00260  -0.00262   2.66902
   D180      -2.46256  -0.00011   0.00000  -0.00027  -0.00026  -2.46282
   D181       0.67809  -0.00018   0.00000  -0.00044  -0.00043   0.67766
   D182       3.14148   0.00005   0.00000   0.00010   0.00010   3.14159
   D183       0.00736   0.00004   0.00000   0.00009   0.00009   0.00746
   D184       0.00079   0.00012   0.00000   0.00027   0.00027   0.00107
   D185      -3.13333   0.00012   0.00000   0.00026   0.00026  -3.13307
   D186      -3.14063  -0.00005   0.00000  -0.00012  -0.00012  -3.14075
   D187      -0.00070  -0.00001   0.00000  -0.00002  -0.00002  -0.00073
   D188       0.00011  -0.00013   0.00000  -0.00029  -0.00029  -0.00019
   D189       3.14003  -0.00009   0.00000  -0.00019  -0.00019   3.13984
   D190      -0.00107  -0.00003   0.00000  -0.00007  -0.00007  -0.00114
   D191      -3.13991  -0.00001   0.00000  -0.00003  -0.00003  -3.13994
   D192       3.13311  -0.00002   0.00000  -0.00005  -0.00005   3.13306
   D193      -0.00573   0.00000   0.00000   0.00000   0.00000  -0.00574
   D194       0.00041  -0.00005   0.00000  -0.00012  -0.00012   0.00029
   D195      -3.14107   0.00006   0.00000   0.00013   0.00013  -3.14093
   D196       3.13933  -0.00008   0.00000  -0.00018  -0.00018   3.13915
   D197      -0.00215   0.00003   0.00000   0.00007   0.00007  -0.00207
   D198       0.00046   0.00005   0.00000   0.00011   0.00011   0.00056
   D199      -3.14038   0.00009   0.00000   0.00020   0.00020  -3.14018
   D200      -3.14125  -0.00007   0.00000  -0.00015  -0.00015  -3.14140
   D201       0.00109  -0.00002   0.00000  -0.00006  -0.00006   0.00104
   D202      -0.00074   0.00005   0.00000   0.00012   0.00012  -0.00062
   D203      -3.14052  -0.00001   0.00000  -0.00001  -0.00001  -3.14053
   D204       3.14009   0.00001   0.00000   0.00003   0.00002   3.14011
   D205       0.00031  -0.00005   0.00000  -0.00010  -0.00010   0.00020
   D206       0.00376  -0.00128   0.00000  -0.00304  -0.00305   0.00071
   D207      -3.13876  -0.00326   0.00000  -0.00766  -0.00767   3.13676
   D208      -3.13875   0.00127   0.00000   0.00298   0.00298  -3.13576
   D209       0.00192  -0.00072   0.00000  -0.00165  -0.00164   0.00028
   D210       3.13789  -0.00274   0.00000  -0.00621  -0.00621   3.13169
   D211      -0.00459  -0.00465   0.00000  -0.01064  -0.01065  -0.01523
   D212      -1.06492  -0.01527   0.00000  -0.03148  -0.03156  -1.09648
   D213       3.05238  -0.01501   0.00000  -0.02699  -0.02645   3.02593
   D214       0.94034   0.00697   0.00000   0.00478   0.00432   0.94466
   D215      -0.16610   0.00377   0.00000   0.00610   0.00635  -0.15974
   D216       2.97867   0.00495   0.00000   0.00891   0.00913   2.98780
   D217       2.03080  -0.00894   0.00000  -0.01826  -0.01821   2.01259
   D218      -1.10761  -0.00776   0.00000  -0.01545  -0.01544  -1.12305
   D219      -2.25809  -0.00159   0.00000  -0.00420  -0.00446  -2.26255
   D220       0.88668  -0.00042   0.00000  -0.00139  -0.00168   0.88500
   D221      -3.13933   0.00096   0.00000   0.00217   0.00221  -3.13713
   D222      -0.00152   0.00026   0.00000   0.00064   0.00067  -0.00085
   D223      -0.00021  -0.00003   0.00000  -0.00010  -0.00011  -0.00032
   D224       3.13761  -0.00073   0.00000  -0.00163  -0.00165   3.13596
   D225       3.13925  -0.00075   0.00000  -0.00176  -0.00175   3.13750
   D226       0.00020   0.00021   0.00000   0.00050   0.00050   0.00070
   D227       0.00012  -0.00025   0.00000  -0.00054  -0.00052  -0.00040
   D228      -3.13766   0.00043   0.00000   0.00096   0.00097  -3.13669
   D229       0.00004   0.00037   0.00000   0.00084   0.00084   0.00088
   D230       3.14093   0.00020   0.00000   0.00044   0.00043   3.14136
   D231      -0.00014  -0.00032   0.00000  -0.00075  -0.00077  -0.00091
   D232      -3.14099  -0.00014   0.00000  -0.00033  -0.00034  -3.14133
   D233       0.14500  -0.00268   0.00000  -0.00321  -0.00317   0.14183
   D234       2.30226  -0.00583   0.00000  -0.00932  -0.00933   2.29293
   D235      -1.96569  -0.00374   0.00000  -0.00529  -0.00529  -1.97098
   D236      -2.13655   0.00531   0.00000   0.00838   0.00839  -2.12816
   D237       0.02070   0.00215   0.00000   0.00227   0.00224   0.02294
   D238       2.03594   0.00425   0.00000   0.00630   0.00628   2.04222
   D239       2.15330   0.00195   0.00000   0.00392   0.00394   2.15725
   D240      -1.97263  -0.00120   0.00000  -0.00219  -0.00221  -1.97484
   D241       0.04261   0.00089   0.00000   0.00184   0.00183   0.04444
   D242       2.68127   0.00088   0.00000   0.00296   0.00297   2.68425
   D243      -1.47639  -0.00111   0.00000  -0.00089  -0.00088  -1.47726
   D244       0.67293  -0.00216   0.00000  -0.00290  -0.00289   0.67004
   D245      -1.35665   0.00295   0.00000   0.00489   0.00488  -1.35177
   D246       0.76887   0.00096   0.00000   0.00104   0.00104   0.76991
   D247       2.91819  -0.00009   0.00000  -0.00097  -0.00098   2.91721
   D248       0.66443   0.00250   0.00000   0.00498   0.00498   0.66942
   D249       2.78996   0.00051   0.00000   0.00113   0.00114   2.79109
   D250      -1.34391  -0.00053   0.00000  -0.00088  -0.00088  -1.34479
   D251       0.00089   0.00012   0.00000   0.00032   0.00033   0.00122
   D252      -3.13906  -0.00052   0.00000  -0.00112  -0.00111  -3.14017
         Item               Value     Threshold  Converged?
 Maximum Force            0.089427     0.000450     NO 
 RMS     Force            0.014285     0.000300     NO 
 Maximum Displacement     0.647183     0.001800     NO 
 RMS     Displacement     0.091017     0.001200     NO 
 Predicted change in Energy=-7.981792D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0      -10.058034   -1.859104    2.226778
      2          6           0       -9.651809   -1.434634    0.841866
      3          6           0      -10.386491   -0.170504    0.379313
      4          6           0       -8.180308   -1.096980    0.809069
      5          7           0       -7.383004   -1.100981   -0.256535
      6          6           0       -6.104817   -0.784419   -0.063888
      7          6           0       -5.138255   -0.741207   -1.256655
      8          7           0       -4.936252    0.647509   -1.611369
      9          6           0       -5.918156    1.252098   -2.529141
     10          6           0       -3.863837    1.402379   -1.113525
     11          8           0       -3.796324    2.621315   -1.414967
     12          7           0       -2.880373    0.822423   -0.294319
     13          6           0       -1.790454    1.709912    0.193025
     14          6           0       -0.578006    1.516463   -0.678628
     15          8           0       -0.589769    0.639180   -1.555600
     16          7           0        0.575219    2.310113   -0.532566
     17          6           0        1.749918    2.168032   -1.343375
     18          6           0        1.996727    3.444517   -2.182244
     19          6           0        2.152888    4.656416   -1.341050
     20          6           0        1.047721    5.460090   -1.062110
     21          6           0        1.131383    6.586664   -0.266834
     22          6           0        2.343525    6.955828    0.287452
     23          6           0        3.466851    6.175548    0.028606
     24          6           0        3.364479    5.036089   -0.781038
     25          6           0        3.011421    1.700290   -0.677706
     26          6           0        2.947104    0.336497   -0.034256
     27          8           0        1.975462    0.243496    0.968115
     28          6           0        4.288684   -0.055954    0.647911
     29          6           0        5.505106    0.125898   -0.214466
     30          6           0        6.737659   -0.253683    0.544868
     31          6           0        7.297997   -1.516857    0.525929
     32          6           0        8.453677   -1.846024    1.246824
     33          6           0        9.079739   -0.874733    2.019427
     34          6           0        8.536584    0.400173    2.053364
     35          6           0        7.401130    0.703796    1.339791
     36          7           0        4.146055   -1.432822    1.122530
     37          6           0        3.998930   -2.533710    0.267915
     38          8           0        3.978401   -2.426443   -0.977383
     39          8           0        3.879011   -3.782494    0.830751
     40          6           0        3.714722   -4.968169    0.097260
     41          6           0        2.420831   -4.919283   -0.671187
     42          6           0        1.398989   -3.986285   -0.577903
     43          7           0        0.346777   -4.156092   -1.359452
     44          6           0        0.352998   -5.208411   -2.173159
     45         16           0        1.847888   -6.008766   -1.869958
     46          6           0       -1.566770    1.355803    1.653707
     47          6           0       -1.147397   -0.101791    1.857477
     48          6           0       -0.621464    2.258915    2.398431
     49          6           0       -5.724566   -0.482141    1.231648
     50         16           0       -7.172504   -0.649992    2.129467
     51          1           0      -11.159684   -1.923808    2.268789
     52          1           0       -9.690340   -2.896965    2.410595
     53          1           0       -9.674118   -1.157432    3.000151
     54          1           0       -9.804249   -2.203647    0.056541
     55          1           0      -10.469473    0.583861    1.172909
     56          1           0       -9.789892    0.257539   -0.470390
     57          1           0      -11.352609   -0.440025   -0.063673
     58          1           0       -4.216664   -1.264408   -0.965688
     59          1           0       -5.577587   -1.272822   -2.125294
     60          1           0       -6.369095    0.470464   -3.189095
     61          1           0       -5.419727    1.972471   -3.206688
     62          1           0       -6.740974    1.687380   -1.945416
     63          1           0       -2.860948   -0.171425   -0.016890
     64          1           0       -2.174688    2.742922    0.105917
     65          1           0        0.547201    3.041833    0.213491
     66          1           0        1.495438    1.375735   -2.129804
     67          1           0        1.168223    3.603441   -2.882852
     68          1           0        2.921451    3.324366   -2.800694
     69          1           0        0.087656    5.194710   -1.487106
     70          1           0        0.252627    7.181743   -0.075452
     71          1           0        2.387827    7.850579    0.912494
     72          1           0        4.408187    6.467138    0.466633
     73          1           0        4.264516    4.470491   -0.953891
     74          1           0        3.343822    2.462661    0.059113
     75          1           0        3.846402    1.650458   -1.437884
     76          1           0        2.737691   -0.446591   -0.798839
     77          1           0        1.500776   -0.616209    0.894773
     78          1           0        4.324730    0.621085    1.561322
     79          1           0        5.438776   -0.546724   -1.104577
     80          1           0        5.605158    1.149804   -0.634106
     81          1           0        6.829196   -2.298330   -0.081117
     82          1           0        8.872130   -2.841778    1.213228
     83          1           0        9.986130   -1.116071    2.589616
     84          1           0        9.020289    1.160306    2.651815
     85          1           0        6.950554    1.701932    1.346941
     86          1           0        4.156404   -1.628845    2.153812
     87          1           0        3.756912   -5.857187    0.736764
     88          1           0        4.523509   -5.091442   -0.673505
     89          1           0        1.457761   -3.131503    0.129032
     90          1           0       -0.447764   -5.477253   -2.876116
     91          1           0       -2.581975    1.497632    2.149222
     92          1           0       -0.942349   -0.597472    0.887702
     93          1           0       -0.257415   -0.161630    2.526205
     94          1           0       -1.961504   -0.629102    2.387581
     95          1           0       -0.852538    2.260847    3.500275
     96          1           0        0.448314    2.000938    2.290724
     97          1           0       -0.733991    3.322049    2.108119
     98          1           0       -4.725631   -0.202194    1.586825
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0631530      0.0259392      0.0203341
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3510.8601817550 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.143507123278     A.U. after   18 cycles
             Convg  =    0.6910D-08             -V/T =  0.9997
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.001101553    0.010667457    0.012265105
      2        6          -0.017141458   -0.019182693   -0.017241107
      3        6          -0.007931933    0.003667463   -0.012726008
      4        6          -0.016683744    0.003867160   -0.005114945
      5        7           0.053932134    0.058442837   -0.022249115
      6        6          -0.061389448   -0.028593534   -0.006706958
      7        6           0.019069818    0.007141800    0.019349007
      8        7          -0.018387341   -0.011314830   -0.002969651
      9        6           0.001258283    0.009952164   -0.004195329
     10        6           0.007210540   -0.023488755   -0.035882043
     11        8          -0.005970309    0.020392999    0.025511936
     12        7           0.011530196    0.003970653    0.003274087
     13        6           0.009382086    0.006605329    0.001245400
     14        6          -0.038205976    0.032733148   -0.018153166
     15        8           0.000721679   -0.019633605    0.004417337
     16        7           0.052502617   -0.020465073    0.024930432
     17        6          -0.007227779    0.035031522   -0.031767853
     18        6          -0.012867658   -0.005443016   -0.002695690
     19        6           0.003394369   -0.009345326    0.001360795
     20        6           0.014508700    0.013256326   -0.004251453
     21        6           0.010581811   -0.001457001   -0.001957120
     22        6          -0.004851386   -0.014176145    0.002523990
     23        6           0.000603968   -0.000341278    0.000115248
     24        6          -0.014197334   -0.012879511    0.003761824
     25        6          -0.016944836   -0.022943600    0.006987877
     26        6          -0.019485661    0.024061809   -0.013172532
     27        8           0.023315119   -0.008715477    0.015135591
     28        6           0.019877530   -0.019710980    0.002789199
     29        6          -0.021041249    0.007485822   -0.007288356
     30        6          -0.008422266   -0.019403372    0.002414908
     31        6          -0.005599256    0.026745690    0.004338627
     32        6           0.000769249   -0.001123906   -0.000632784
     33        6          -0.012999237    0.006453090    0.010417163
     34        6          -0.002114134   -0.017106485    0.001115404
     35        6           0.023551674   -0.000615272   -0.017694791
     36        7          -0.002803153    0.036233807    0.054496651
     37        6          -0.012218727    0.011546797   -0.069795001
     38        8           0.003846532   -0.018589765    0.033840116
     39        8           0.005698060   -0.042498494    0.038171582
     40        6           0.002506842    0.047883002   -0.044709885
     41        6           0.008206783    0.002796639    0.003349512
     42        6          -0.038030124   -0.056615161    0.032751590
     43        7           0.070765069    0.033046600   -0.039519966
     44        6           0.001971021   -0.017108168    0.003374799
     45       16          -0.037726233    0.028643384    0.009582245
     46        6           0.009955667   -0.003496814    0.022895952
     47        6           0.000774253    0.002398477    0.008272523
     48        6           0.001207744   -0.029876835    0.000384746
     49        6          -0.001164653    0.003168179   -0.001630257
     50       16           0.006046004   -0.034271738    0.036537316
     51        1          -0.001129213   -0.005458068    0.003911695
     52        1           0.004342090   -0.009471094   -0.000550438
     53        1           0.004668604    0.010198679    0.002082461
     54        1           0.001428994    0.009062927    0.005510500
     55        1           0.001687944    0.004957390   -0.002394527
     56        1           0.009800175   -0.003694558    0.003895673
     57        1           0.003836344   -0.005838976    0.002177973
     58        1          -0.007858052    0.001552081    0.000243638
     59        1          -0.000660026    0.006923276    0.001560255
     60        1          -0.001247454   -0.005464861    0.001394167
     61        1           0.003755331   -0.004795260    0.001937831
     62        1           0.001757006   -0.004116829   -0.004754455
     63        1          -0.000839834   -0.003518649   -0.012215807
     64        1           0.004106611   -0.012281808   -0.010508718
     65        1          -0.011159007    0.009963146   -0.003727876
     66        1           0.000331881    0.004030444    0.001136425
     67        1           0.003259151    0.007389653   -0.004076818
     68        1           0.004150698    0.004108440    0.000813040
     69        1           0.004875500    0.004429041   -0.001463347
     70        1           0.006980620   -0.001320355   -0.001431902
     71        1          -0.003832041    0.000837164    0.000639043
     72        1          -0.006206270   -0.001311685    0.001060846
     73        1          -0.005959876    0.004287624    0.000413995
     74        1           0.000443747   -0.001417408    0.002123477
     75        1           0.007075343   -0.002149362    0.000141871
     76        1           0.002471810    0.006848112   -0.006841073
     77        1           0.002757144   -0.002334396   -0.001105544
     78        1          -0.006812013    0.001846902    0.003791007
     79        1           0.002028138    0.002729051   -0.004155780
     80        1           0.002429314    0.000196472    0.002113338
     81        1          -0.000238096    0.000096037    0.000192875
     82        1          -0.000657897    0.005052982    0.000653651
     83        1           0.003546737    0.001170506   -0.002767501
     84        1          -0.000217842   -0.006096158   -0.000104081
     85        1          -0.004361142   -0.004361609    0.003187019
     86        1          -0.002359757    0.001574640   -0.016050547
     87        1           0.003644605   -0.014515537    0.009432957
     88        1          -0.001490248   -0.007709783    0.001890119
     89        1           0.001958928    0.009432367   -0.003281675
     90        1          -0.007761560   -0.006620185    0.004964770
     91        1          -0.002509859    0.001245564    0.000042198
     92        1          -0.000880149   -0.004033551    0.007824677
     93        1           0.002582461    0.008543457   -0.005726017
     94        1          -0.006659047    0.003002334   -0.001790287
     95        1          -0.006747248    0.007131107   -0.008615886
     96        1           0.003432699    0.002950706   -0.000425768
     97        1          -0.002300906    0.003172439    0.002306577
     98        1           0.013650263    0.005982270    0.001289020
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.070765069 RMS     0.016314648

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.058861517 RMS     0.008757108
 Search for a local minimum.
 Step number   2 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -7.55D-02 DEPred=-7.98D-02 R= 9.45D-01
 SS=  1.41D+00  RLast= 3.00D-01 DXNew= 5.0454D-01 8.9997D-01
 Trust test= 9.45D-01 RLast= 3.00D-01 DXMaxT set to 5.05D-01
 Use linear search instead of GDIIS.
 Linear search step of   0.530 exceeds DXMaxT=   0.505 but not scaled.
 Quartic linear search produced a step of  1.76700.
 Iteration  1 RMS(Cart)=  0.15370350 RMS(Int)=  0.00350103
 Iteration  2 RMS(Cart)=  0.01038825 RMS(Int)=  0.00029693
 Iteration  3 RMS(Cart)=  0.00005066 RMS(Int)=  0.00029623
 Iteration  4 RMS(Cart)=  0.00000008 RMS(Int)=  0.00029623
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.84288   0.01850   0.05491   0.00000   0.05491   2.89778
    R2        2.08692  -0.00258  -0.00431   0.00000  -0.00431   2.08261
    R3        2.10951  -0.00802  -0.01632   0.00000  -0.01632   2.09319
    R4        2.10248  -0.00963  -0.02035   0.00000  -0.02035   2.08213
    R5        2.89797   0.01115   0.04143   0.00000   0.04143   2.93939
    R6        2.85367  -0.00208   0.00203   0.00000   0.00203   2.85571
    R7        2.09696   0.00725   0.01812   0.00000   0.01812   2.11508
    R8        2.07504  -0.00447  -0.00947   0.00000  -0.00947   2.06557
    R9        2.12218  -0.00830  -0.01626   0.00000  -0.01626   2.10591
   R10        2.07204  -0.00155  -0.00279   0.00000  -0.00279   2.06925
   R11        2.51498   0.00834   0.03095   0.00000   0.03124   2.54622
   R12        3.25061   0.02673   0.06382   0.00000   0.06390   3.31451
   R13        2.51489   0.05585   0.08940   0.00000   0.08953   2.60442
   R14        2.90232  -0.00488   0.00576   0.00000   0.00576   2.90808
   R15        2.61464   0.01036   0.04272   0.00000   0.04255   2.65719
   R16        2.73532   0.02750   0.07502   0.00000   0.07502   2.81034
   R17        2.07675   0.00699   0.01677   0.00000   0.01677   2.09352
   R18        2.09594   0.00550   0.01495   0.00000   0.01495   2.11089
   R19        2.78500   0.00697   0.02099   0.00000   0.02099   2.80599
   R20        2.65084  -0.00143  -0.00487   0.00000  -0.00487   2.64597
   R21        2.11264  -0.00571  -0.01149   0.00000  -0.01149   2.10115
   R22        2.09277  -0.00143  -0.00295   0.00000  -0.00295   2.08982
   R23        2.07632   0.00205   0.00515   0.00000   0.00515   2.08148
   R24        2.37627  -0.03306  -0.04499   0.00000  -0.04499   2.33129
   R25        2.65549  -0.00491  -0.01608   0.00000  -0.01608   2.63941
   R26        2.81123   0.00277   0.02288   0.00000   0.02288   2.83410
   R27        1.95025  -0.01115  -0.01937   0.00000  -0.01937   1.93088
   R28        2.84542   0.02098   0.05587   0.00000   0.05587   2.90130
   R29        2.87153   0.02674   0.08902   0.00000   0.08902   2.96055
   R30        2.08927   0.01582   0.03873   0.00000   0.03873   2.12800
   R31        2.34421  -0.01957  -0.02294   0.00000  -0.02294   2.32127
   R32        2.65985  -0.01475  -0.03326   0.00000  -0.03326   2.62658
   R33        2.71063   0.02681   0.06373   0.00000   0.06373   2.77436
   R34        1.97547  -0.01347  -0.02387   0.00000  -0.02387   1.95160
   R35        2.92391   0.00989   0.04606   0.00000   0.04606   2.96997
   R36        2.83666   0.02609   0.07712   0.00000   0.07712   2.91378
   R37        2.16369   0.00367   0.01667   0.00000   0.01667   2.18036
   R38        2.80336   0.01881   0.06017   0.00000   0.06017   2.86353
   R39        2.07227   0.00781   0.01941   0.00000   0.01941   2.09168
   R40        2.11449  -0.00354  -0.00449   0.00000  -0.00449   2.11000
   R41        2.63554   0.01798   0.05310   0.00000   0.05319   2.68873
   R42        2.62238   0.01860   0.05071   0.00000   0.05067   2.67305
   R43        2.61072   0.01665   0.04484   0.00000   0.04497   2.65569
   R44        2.04647   0.00675   0.01848   0.00000   0.01848   2.06496
   R45        2.61357   0.02348   0.05849   0.00000   0.05853   2.67210
   R46        2.03789   0.00718   0.01826   0.00000   0.01826   2.05615
   R47        2.63052   0.00866   0.02593   0.00000   0.02584   2.65636
   R48        2.06423  -0.00172  -0.00107   0.00000  -0.00107   2.06317
   R49        2.64856   0.00138   0.00990   0.00000   0.00977   2.65834
   R50        2.03793   0.00550   0.01243   0.00000   0.01243   2.05036
   R51        2.03516   0.00689   0.01621   0.00000   0.01621   2.05137
   R52        2.85223   0.01535   0.05332   0.00000   0.05332   2.90555
   R53        2.09973   0.00180   0.00809   0.00000   0.00809   2.10782
   R54        2.13593  -0.00629  -0.00974   0.00000  -0.00974   2.12619
   R55        2.64392   0.03010   0.06891   0.00000   0.06891   2.71283
   R56        2.93924   0.02257   0.09261   0.00000   0.09261   3.03186
   R57        2.10572   0.00785   0.02533   0.00000   0.02533   2.13106
   R58        1.86097  -0.00183  -0.00039   0.00000  -0.00039   1.86058
   R59        2.83865   0.02401   0.07467   0.00000   0.07467   2.91332
   R60        2.76532   0.01933   0.05754   0.00000   0.05754   2.82286
   R61        2.14964  -0.00192   0.00277   0.00000   0.00277   2.15241
   R62        2.82819   0.00844   0.03160   0.00000   0.03160   2.85979
   R63        2.11203   0.00352   0.01183   0.00000   0.01183   2.12386
   R64        2.09963  -0.00166  -0.00144   0.00000  -0.00144   2.09819
   R65        2.61162   0.01856   0.04586   0.00000   0.04584   2.65746
   R66        2.66503   0.00819   0.03182   0.00000   0.03186   2.69689
   R67        2.64807   0.00141   0.00864   0.00000   0.00857   2.65664
   R68        2.06921   0.00004   0.00285   0.00000   0.00285   2.07206
   R69        2.62684   0.00968   0.02746   0.00000   0.02742   2.65426
   R70        2.04209   0.00400   0.00928   0.00000   0.00928   2.05138
   R71        2.61954   0.02095   0.05261   0.00000   0.05263   2.67217
   R72        2.07432  -0.00464  -0.00778   0.00000  -0.00778   2.06654
   R73        2.59838   0.01601   0.03799   0.00000   0.03805   2.63643
   R74        2.04398   0.00600   0.01588   0.00000   0.01588   2.05986
   R75        2.06953  -0.00147   0.00039   0.00000   0.00039   2.06991
   R76        2.64829  -0.02796  -0.06588   0.00000  -0.06588   2.58241
   R77        1.98383  -0.01574  -0.03005   0.00000  -0.03005   1.95378
   R78        2.36231  -0.03875  -0.05111   0.00000  -0.05111   2.31119
   R79        2.59837  -0.00022  -0.00809   0.00000  -0.00809   2.59028
   R80        2.65291   0.01809   0.03403   0.00000   0.03403   2.68694
   R81        2.84531  -0.00869  -0.00672   0.00000  -0.00672   2.83860
   R82        2.07104   0.00317   0.00434   0.00000   0.00434   2.07538
   R83        2.12408  -0.00153  -0.00196   0.00000  -0.00196   2.12212
   R84        2.62076   0.01225   0.05255   0.00000   0.05218   2.67294
   R85        3.24697   0.00516   0.01518   0.00000   0.01474   3.26171
   R86        2.49759   0.05886   0.09087   0.00000   0.09101   2.58859
   R87        2.09910  -0.00906  -0.01512   0.00000  -0.01512   2.08398
   R88        2.51378   0.00390   0.01928   0.00000   0.01979   2.53357
   R89        3.25516   0.02193   0.05173   0.00000   0.05196   3.30712
   R90        2.07668  -0.01110  -0.02538   0.00000  -0.02538   2.05129
   R91        2.89194   0.01353   0.05563   0.00000   0.05563   2.94757
   R92        2.84329   0.01627   0.04972   0.00000   0.04972   2.89301
   R93        2.15154  -0.00247   0.00132   0.00000   0.00132   2.15286
   R94        2.09428  -0.00658  -0.01240   0.00000  -0.01240   2.08188
   R95        2.10672  -0.00906  -0.01928   0.00000  -0.01928   2.08745
   R96        2.08884  -0.00458  -0.00842   0.00000  -0.00842   2.08042
   R97        2.12748  -0.01265  -0.02743   0.00000  -0.02743   2.10005
   R98        2.08947  -0.00356  -0.00780   0.00000  -0.00780   2.08168
   R99        2.09342  -0.00430  -0.00794   0.00000  -0.00794   2.08548
   R100       3.23512   0.00605   0.01529   0.00000   0.01502   3.25014
   R101       2.07216  -0.01397  -0.03045   0.00000  -0.03045   2.04170
    A1        1.89750   0.00556   0.02008   0.00000   0.01974   1.91724
    A2        1.90178   0.00644   0.02286   0.00000   0.02247   1.92425
    A3        1.94850   0.00493   0.01612   0.00000   0.01591   1.96441
    A4        1.84195  -0.00296  -0.01036   0.00000  -0.01089   1.83106
    A5        1.93342  -0.00735  -0.02540   0.00000  -0.02554   1.90788
    A6        1.93717  -0.00666  -0.02267   0.00000  -0.02292   1.91425
    A7        1.96156  -0.00286  -0.00596   0.00000  -0.00609   1.95547
    A8        1.92432   0.00204   0.00562   0.00000   0.00564   1.92996
    A9        2.00301  -0.00447  -0.01779   0.00000  -0.01777   1.98524
   A10        1.85039   0.00389   0.01509   0.00000   0.01505   1.86544
   A11        1.86710   0.00266   0.00789   0.00000   0.00773   1.87484
   A12        1.84777  -0.00049  -0.00198   0.00000  -0.00210   1.84567
   A13        1.96548  -0.00003   0.00002   0.00000  -0.00007   1.96541
   A14        1.86284   0.01135   0.04111   0.00000   0.04066   1.90349
   A15        1.91915   0.00319   0.01092   0.00000   0.01063   1.92978
   A16        1.90194  -0.00523  -0.01773   0.00000  -0.01795   1.88400
   A17        1.97607  -0.00560  -0.02109   0.00000  -0.02104   1.95502
   A18        1.82978  -0.00298  -0.00995   0.00000  -0.01066   1.81911
   A19        2.21491  -0.01452  -0.04170   0.00000  -0.04188   2.17303
   A20        2.22981  -0.01415  -0.03784   0.00000  -0.03802   2.19179
   A21        1.83837   0.02868   0.07956   0.00000   0.07991   1.91829
   A22        2.04741  -0.02785  -0.06818   0.00000  -0.06761   1.97980
   A23        2.09291  -0.00084  -0.00083   0.00000  -0.00080   2.09212
   A24        2.03921  -0.00582  -0.01466   0.00000  -0.01472   2.02449
   A25        2.15087   0.00666   0.01551   0.00000   0.01554   2.16641
   A26        1.88088   0.00932   0.03222   0.00000   0.03217   1.91305
   A27        1.88467   0.00031  -0.00100   0.00000  -0.00099   1.88368
   A28        1.92353  -0.00493  -0.01827   0.00000  -0.01862   1.90491
   A29        1.98735  -0.00536  -0.01414   0.00000  -0.01421   1.97313
   A30        1.89992   0.00150   0.00899   0.00000   0.00910   1.90902
   A31        1.88740  -0.00104  -0.00850   0.00000  -0.00863   1.87877
   A32        2.04116   0.00467   0.01569   0.00000   0.01569   2.05685
   A33        2.13650   0.00739   0.01909   0.00000   0.01908   2.15558
   A34        2.10552  -0.01207  -0.03478   0.00000  -0.03478   2.07074
   A35        1.92787  -0.00034   0.00167   0.00000   0.00162   1.92949
   A36        1.92622  -0.00084  -0.00292   0.00000  -0.00291   1.92331
   A37        1.90776   0.00424   0.01368   0.00000   0.01365   1.92141
   A38        1.84956   0.00231   0.00612   0.00000   0.00611   1.85567
   A39        1.86349   0.00062   0.00188   0.00000   0.00179   1.86528
   A40        1.98710  -0.00598  -0.02024   0.00000  -0.02021   1.96689
   A41        2.06873   0.00826   0.01912   0.00000   0.01912   2.08785
   A42        2.11747  -0.00945  -0.01878   0.00000  -0.01879   2.09868
   A43        2.09699   0.00118  -0.00034   0.00000  -0.00034   2.09664
   A44        2.04600   0.00493   0.01225   0.00000   0.01219   2.05819
   A45        2.17406  -0.00406  -0.01429   0.00000  -0.01435   2.15971
   A46        2.06309  -0.00089   0.00199   0.00000   0.00193   2.06502
   A47        1.90039  -0.00368  -0.01253   0.00000  -0.01233   1.88806
   A48        1.85848   0.01016   0.04269   0.00000   0.04272   1.90120
   A49        1.85144  -0.00154  -0.00821   0.00000  -0.00843   1.84301
   A50        1.99105  -0.00468  -0.01654   0.00000  -0.01650   1.97455
   A51        1.93294   0.00103   0.00018   0.00000  -0.00008   1.93285
   A52        1.92264  -0.00080  -0.00350   0.00000  -0.00369   1.91895
   A53        2.08572   0.01398   0.03881   0.00000   0.03881   2.12453
   A54        2.12613  -0.01760  -0.04094   0.00000  -0.04094   2.08519
   A55        2.07133   0.00362   0.00213   0.00000   0.00213   2.07345
   A56        2.16093  -0.00758  -0.01857   0.00000  -0.01857   2.14236
   A57        2.03396   0.01092   0.02586   0.00000   0.02586   2.05982
   A58        2.08828  -0.00333  -0.00726   0.00000  -0.00727   2.08101
   A59        1.93411   0.00300   0.00898   0.00000   0.00894   1.94305
   A60        2.05831  -0.01029  -0.03348   0.00000  -0.03340   2.02491
   A61        1.84915   0.00222   0.00694   0.00000   0.00696   1.85611
   A62        1.94275   0.00320   0.01049   0.00000   0.01040   1.95316
   A63        1.80693   0.00002   0.00124   0.00000   0.00104   1.80797
   A64        1.85017   0.00308   0.01020   0.00000   0.01015   1.86031
   A65        1.96419   0.00304   0.01621   0.00000   0.01622   1.98041
   A66        1.92349  -0.00378  -0.01432   0.00000  -0.01448   1.90901
   A67        1.92080  -0.00209  -0.00833   0.00000  -0.00852   1.91228
   A68        1.90014   0.00198   0.00675   0.00000   0.00686   1.90700
   A69        1.89034   0.00149   0.00469   0.00000   0.00473   1.89507
   A70        1.86171  -0.00073  -0.00556   0.00000  -0.00579   1.85591
   A71        2.09526   0.00008   0.00143   0.00000   0.00140   2.09667
   A72        2.14629  -0.00659  -0.01569   0.00000  -0.01572   2.13058
   A73        2.04147   0.00652   0.01429   0.00000   0.01435   2.05582
   A74        2.13773  -0.00850  -0.02106   0.00000  -0.02083   2.11690
   A75        2.07465   0.00420   0.01137   0.00000   0.01126   2.08591
   A76        2.07080   0.00430   0.00969   0.00000   0.00957   2.08037
   A77        2.09606  -0.00159  -0.00340   0.00000  -0.00322   2.09284
   A78        2.09762  -0.00017  -0.00192   0.00000  -0.00201   2.09562
   A79        2.08950   0.00177   0.00531   0.00000   0.00523   2.09473
   A80        2.07501   0.00350   0.01032   0.00000   0.01027   2.08527
   A81        2.07545   0.00195   0.00704   0.00000   0.00706   2.08252
   A82        2.13272  -0.00545  -0.01736   0.00000  -0.01733   2.11539
   A83        2.09924   0.00119   0.00172   0.00000   0.00149   2.10074
   A84        2.06838   0.00279   0.00976   0.00000   0.00988   2.07826
   A85        2.11555  -0.00398  -0.01148   0.00000  -0.01137   2.10419
   A86        2.11686  -0.00111  -0.00188   0.00000  -0.00205   2.11481
   A87        2.11905  -0.00205  -0.00452   0.00000  -0.00444   2.11462
   A88        2.04726   0.00316   0.00640   0.00000   0.00648   2.05375
   A89        2.02060  -0.00473  -0.00899   0.00000  -0.00899   2.01162
   A90        1.90888   0.00338   0.00936   0.00000   0.00934   1.91822
   A91        1.91380  -0.00231  -0.00881   0.00000  -0.00875   1.90505
   A92        1.92838  -0.00087  -0.00556   0.00000  -0.00553   1.92285
   A93        1.85288   0.00536   0.01595   0.00000   0.01593   1.86881
   A94        1.82889  -0.00048  -0.00141   0.00000  -0.00137   1.82753
   A95        1.97695  -0.01010  -0.03622   0.00000  -0.03625   1.94070
   A96        1.95865   0.00168   0.00333   0.00000   0.00347   1.96213
   A97        1.92889  -0.00059  -0.00681   0.00000  -0.00693   1.92196
   A98        1.84214   0.00367   0.01586   0.00000   0.01566   1.85780
   A99        1.89058   0.00378   0.01334   0.00000   0.01261   1.90319
   A100       1.86055   0.00251   0.01503   0.00000   0.01484   1.87539
   A101       1.91710   0.00455   0.02788   0.00000   0.02788   1.94498
   A102       1.99999  -0.00648  -0.01663   0.00000  -0.01656   1.98343
   A103       1.87087   0.00857   0.03535   0.00000   0.03537   1.90624
   A104       1.80218   0.00330   0.00866   0.00000   0.00870   1.81089
   A105       1.95955  -0.00179  -0.00918   0.00000  -0.00909   1.95046
   A106       1.94257   0.00062  -0.00119   0.00000  -0.00133   1.94124
   A107       1.87828  -0.00358  -0.01486   0.00000  -0.01528   1.86300
   A108       1.92296   0.00730   0.02576   0.00000   0.02572   1.94868
   A109       1.91379  -0.00163  -0.00225   0.00000  -0.00260   1.91119
   A110       1.98375  -0.00525  -0.01710   0.00000  -0.01704   1.96670
   A111       1.87582   0.00108   0.00488   0.00000   0.00469   1.88052
   A112       1.92964  -0.00239  -0.01044   0.00000  -0.01023   1.91941
   A113       1.83294   0.00081  -0.00103   0.00000  -0.00111   1.83183
   A114       2.16371  -0.00952  -0.02231   0.00000  -0.02233   2.14138
   A115       2.09583  -0.00152  -0.00458   0.00000  -0.00459   2.09124
   A116       2.02365   0.01104   0.02689   0.00000   0.02692   2.05056
   A117       2.14366  -0.00640  -0.01611   0.00000  -0.01618   2.12747
   A118       2.07868   0.00353   0.01108   0.00000   0.01112   2.08980
   A119       2.06083   0.00287   0.00503   0.00000   0.00507   2.06589
   A120       2.08660   0.00202   0.00394   0.00000   0.00384   2.09044
   A121       2.11743  -0.00430  -0.01260   0.00000  -0.01255   2.10489
   A122       2.07914   0.00228   0.00866   0.00000   0.00871   2.08785
   A123       2.07119   0.00426   0.01291   0.00000   0.01289   2.08408
   A124       2.10248  -0.00178  -0.00642   0.00000  -0.00640   2.09607
   A125       2.10952  -0.00248  -0.00650   0.00000  -0.00648   2.10304
   A126       2.11058  -0.00395  -0.01018   0.00000  -0.01010   2.10048
   A127       2.07677   0.00310   0.00932   0.00000   0.00928   2.08606
   A128       2.09583   0.00085   0.00086   0.00000   0.00082   2.09665
   A129       2.13069  -0.00697  -0.01746   0.00000  -0.01736   2.11333
   A130       2.01408   0.01051   0.02999   0.00000   0.02994   2.04402
   A131       2.13841  -0.00354  -0.01253   0.00000  -0.01258   2.12583
   A132       2.15505  -0.00359  -0.00461   0.00000  -0.00464   2.15041
   A133       2.08673  -0.00222  -0.00512   0.00000  -0.00515   2.08159
   A134       2.04139   0.00580   0.00972   0.00000   0.00969   2.05108
   A135       2.14338   0.01603   0.03326   0.00000   0.03324   2.17663
   A136       2.06347  -0.03539  -0.08299   0.00000  -0.08300   1.98046
   A137       2.07632   0.01935   0.04970   0.00000   0.04969   2.12601
   A138       2.16928  -0.02174  -0.04578   0.00000  -0.04578   2.12350
   A139       1.91750   0.01965   0.07310   0.00000   0.07285   1.99035
   A140       1.95598  -0.01994  -0.06832   0.00000  -0.06846   1.88752
   A141       1.94625  -0.00892  -0.02924   0.00000  -0.03251   1.91374
   A142       1.93609  -0.00139  -0.01229   0.00000  -0.01075   1.92534
   A143       1.84620   0.00704   0.02891   0.00000   0.02837   1.87456
   A144       1.85820   0.00439   0.01215   0.00000   0.01052   1.86872
   A145       2.24041  -0.00024   0.00254   0.00000   0.00297   2.24338
   A146       2.24214  -0.02119  -0.05718   0.00000  -0.05675   2.18539
   A147       1.80063   0.02142   0.05463   0.00000   0.05375   1.85438
   A148       2.04922  -0.00709  -0.01181   0.00000  -0.01207   2.03715
   A149       2.11943   0.00842   0.02177   0.00000   0.02190   2.14133
   A150       2.11452  -0.00132  -0.00997   0.00000  -0.00985   2.10468
   A151       2.04838  -0.02932  -0.07604   0.00000  -0.07516   1.97322
   A152       1.83791   0.03179   0.09025   0.00000   0.09094   1.92885
   A153       2.19126  -0.01345  -0.04091   0.00000  -0.04126   2.15000
   A154       2.25402  -0.01834  -0.04934   0.00000  -0.04969   2.20433
   A155       1.68864  -0.01680  -0.05703   0.00000  -0.05747   1.63117
   A156       1.97174   0.00178   0.01233   0.00000   0.01243   1.98418
   A157       2.01352  -0.00911  -0.03077   0.00000  -0.03078   1.98274
   A158       1.83182   0.00272   0.00834   0.00000   0.00829   1.84012
   A159       1.91094   0.00557   0.01327   0.00000   0.01338   1.92432
   A160       1.88078  -0.00244  -0.00718   0.00000  -0.00731   1.87347
   A161       1.84422   0.00156   0.00414   0.00000   0.00417   1.84838
   A162       1.93927   0.00494   0.02017   0.00000   0.01988   1.95915
   A163       1.92811   0.00333   0.01336   0.00000   0.01314   1.94125
   A164       1.89272   0.00716   0.02590   0.00000   0.02545   1.91817
   A165       1.93177  -0.00673  -0.02682   0.00000  -0.02688   1.90489
   A166       1.92043  -0.00579  -0.02037   0.00000  -0.02085   1.89958
   A167       1.84906  -0.00308  -0.01229   0.00000  -0.01267   1.83639
   A168       1.93532   0.00042   0.00342   0.00000   0.00338   1.93869
   A169       2.00381  -0.00466  -0.01201   0.00000  -0.01201   1.99180
   A170       1.96330   0.00119   0.00643   0.00000   0.00641   1.96971
   A171       1.86954   0.00090  -0.00049   0.00000  -0.00051   1.86903
   A172       1.80697   0.00148   0.00341   0.00000   0.00335   1.81032
   A173       1.87199   0.00130   0.00051   0.00000   0.00053   1.87252
   A174       1.81028   0.02192   0.06041   0.00000   0.05994   1.87022
   A175       2.22614  -0.00549  -0.01341   0.00000  -0.01318   2.21296
   A176       2.24677  -0.01644  -0.04700   0.00000  -0.04677   2.20000
   A177       1.68952  -0.01694  -0.05714   0.00000  -0.05753   1.63198
    D1        0.90579  -0.00342  -0.01279   0.00000  -0.01283   0.89296
    D2        2.96605   0.00099   0.00607   0.00000   0.00595   2.97201
    D3       -1.23284  -0.00120  -0.00454   0.00000  -0.00471  -1.23755
    D4        2.90504  -0.00054  -0.00269   0.00000  -0.00253   2.90251
    D5       -1.31788   0.00386   0.01617   0.00000   0.01625  -1.30163
    D6        0.76641   0.00167   0.00556   0.00000   0.00558   0.77199
    D7       -1.23233  -0.00121  -0.00498   0.00000  -0.00489  -1.23722
    D8        0.82793   0.00320   0.01387   0.00000   0.01389   0.84182
    D9        2.91222   0.00101   0.00326   0.00000   0.00323   2.91545
   D10        0.72591   0.00150   0.00557   0.00000   0.00553   0.73144
   D11        2.81225   0.00242   0.01027   0.00000   0.01015   2.82240
   D12       -1.49550   0.00643   0.02488   0.00000   0.02512  -1.47039
   D13       -1.37756  -0.00186  -0.00764   0.00000  -0.00765  -1.38521
   D14        0.70878  -0.00094  -0.00294   0.00000  -0.00302   0.70575
   D15        2.68422   0.00306   0.01167   0.00000   0.01194   2.69616
   D16        2.93950  -0.00422  -0.01552   0.00000  -0.01567   2.92383
   D17       -1.25735  -0.00330  -0.01082   0.00000  -0.01105  -1.26839
   D18        0.71809   0.00071   0.00379   0.00000   0.00392   0.72201
   D19        2.73871  -0.00145  -0.00801   0.00000  -0.00809   2.73062
   D20       -0.38605  -0.00205  -0.01028   0.00000  -0.01030  -0.39635
   D21       -1.41701  -0.00136  -0.00287   0.00000  -0.00282  -1.41983
   D22        1.74142  -0.00196  -0.00513   0.00000  -0.00503   1.73638
   D23        0.56252   0.00311   0.01166   0.00000   0.01161   0.57413
   D24       -2.56224   0.00251   0.00940   0.00000   0.00940  -2.55284
   D25       -3.12846  -0.00046  -0.00211   0.00000  -0.00214  -3.13059
   D26       -0.00066  -0.00023  -0.00099   0.00000  -0.00099  -0.00165
   D27        3.12725   0.00033   0.00130   0.00000   0.00137   3.12861
   D28       -0.00039   0.00009   0.00019   0.00000   0.00023  -0.00016
   D29       -3.11899  -0.00013  -0.00004   0.00000  -0.00009  -3.11908
   D30        0.00177   0.00030   0.00157   0.00000   0.00149   0.00327
   D31        1.78393   0.00212   0.00754   0.00000   0.00734   1.79127
   D32       -2.34525   0.00141   0.00906   0.00000   0.00907  -2.33617
   D33       -0.28709  -0.00244  -0.01223   0.00000  -0.01204  -0.29912
   D34       -1.33545   0.00182   0.00622   0.00000   0.00602  -1.32942
   D35        0.81856   0.00111   0.00775   0.00000   0.00776   0.82632
   D36        2.87672  -0.00274  -0.01354   0.00000  -0.01335   2.86337
   D37       -0.00184  -0.00024  -0.00129   0.00000  -0.00135  -0.00319
   D38        3.13955   0.00028   0.00116   0.00000   0.00119   3.14074
   D39        3.11817   0.00011   0.00014   0.00000   0.00007   3.11824
   D40       -0.02362   0.00062   0.00259   0.00000   0.00260  -0.02102
   D41       -1.49720   0.00144   0.00557   0.00000   0.00536  -1.49184
   D42        1.64187   0.00082   0.00341   0.00000   0.00314   1.64500
   D43        2.69587  -0.00207  -0.00679   0.00000  -0.00670   2.68916
   D44       -0.44825  -0.00269  -0.00895   0.00000  -0.00892  -0.45718
   D45        0.58887   0.00173   0.00695   0.00000   0.00717   0.59604
   D46       -2.55525   0.00111   0.00480   0.00000   0.00495  -2.55030
   D47       -0.47993  -0.00097  -0.00429   0.00000  -0.00431  -0.48423
   D48       -2.51945  -0.00309  -0.01103   0.00000  -0.01102  -2.53047
   D49        1.56550   0.00212   0.00708   0.00000   0.00715   1.57265
   D50        2.66415  -0.00039  -0.00222   0.00000  -0.00228   2.66187
   D51        0.62462  -0.00250  -0.00896   0.00000  -0.00899   0.61563
   D52       -1.57362   0.00270   0.00915   0.00000   0.00918  -1.56444
   D53       -3.07895  -0.00034  -0.00104   0.00000  -0.00104  -3.07999
   D54        0.06181  -0.00125  -0.00521   0.00000  -0.00524   0.05656
   D55        0.06003  -0.00096  -0.00324   0.00000  -0.00320   0.05682
   D56       -3.08240  -0.00187  -0.00741   0.00000  -0.00741  -3.08981
   D57       -3.13200  -0.00235  -0.01111   0.00000  -0.01105   3.14014
   D58        0.01792   0.00112   0.00575   0.00000   0.00566   0.02357
   D59        0.00875  -0.00327  -0.01536   0.00000  -0.01526  -0.00652
   D60       -3.12453   0.00020   0.00150   0.00000   0.00144  -3.12309
   D61       -1.72715   0.00031   0.00489   0.00000   0.00490  -1.72226
   D62        2.40180   0.00194   0.00619   0.00000   0.00625   2.40805
   D63        0.35376  -0.00125  -0.00613   0.00000  -0.00603   0.34773
   D64        1.40667  -0.00295  -0.01085   0.00000  -0.01096   1.39570
   D65       -0.74757  -0.00132  -0.00956   0.00000  -0.00961  -0.75718
   D66       -2.79561  -0.00451  -0.02188   0.00000  -0.02189  -2.81749
   D67       -0.09421  -0.00559  -0.02578   0.00000  -0.02580  -0.12002
   D68        3.04218  -0.00579  -0.02516   0.00000  -0.02517   3.01701
   D69        1.97874   0.00173   0.00909   0.00000   0.00909   1.98782
   D70       -1.16805   0.00154   0.00972   0.00000   0.00972  -1.15834
   D71       -2.12354  -0.00214  -0.00844   0.00000  -0.00842  -2.13196
   D72        1.01285  -0.00233  -0.00781   0.00000  -0.00779   1.00506
   D73        1.05616  -0.00142   0.00018   0.00000   0.00013   1.05629
   D74       -3.01023   0.00002   0.00306   0.00000   0.00292  -3.00730
   D75       -0.98833  -0.00108  -0.00258   0.00000  -0.00275  -0.99108
   D76       -1.04046  -0.00100  -0.00379   0.00000  -0.00362  -1.04408
   D77        1.17634   0.00044  -0.00091   0.00000  -0.00083   1.17551
   D78       -3.08495  -0.00066  -0.00655   0.00000  -0.00650  -3.09145
   D79        3.05636   0.00185   0.01166   0.00000   0.01175   3.06811
   D80       -1.01003   0.00329   0.01454   0.00000   0.01454  -0.99549
   D81        1.01187   0.00219   0.00890   0.00000   0.00886   1.02073
   D82       -3.13523  -0.00157  -0.00842   0.00000  -0.00847   3.13949
   D83        0.00038  -0.00047  -0.00270   0.00000  -0.00265  -0.00227
   D84        0.00120  -0.00173  -0.00769   0.00000  -0.00774  -0.00654
   D85        3.13681  -0.00063  -0.00197   0.00000  -0.00193   3.13489
   D86        2.02659   0.00116   0.00453   0.00000   0.00449   2.03108
   D87       -1.98912  -0.00076  -0.00247   0.00000  -0.00248  -1.99160
   D88        0.07792  -0.00140  -0.00457   0.00000  -0.00461   0.07331
   D89       -1.10883  -0.00001  -0.00152   0.00000  -0.00150  -1.11034
   D90        1.15864  -0.00193  -0.00852   0.00000  -0.00847   1.15017
   D91       -3.05751  -0.00258  -0.01062   0.00000  -0.01060  -3.06811
   D92        1.02050  -0.00418  -0.01341   0.00000  -0.01348   1.00702
   D93       -1.10407  -0.00612  -0.02307   0.00000  -0.02299  -1.12706
   D94        3.13064  -0.00169  -0.00236   0.00000  -0.00250   3.12813
   D95       -1.30661   0.00463   0.01588   0.00000   0.01589  -1.29072
   D96        2.85200   0.00269   0.00622   0.00000   0.00638   2.85838
   D97        0.80352   0.00711   0.02693   0.00000   0.02687   0.83039
   D98        2.99610  -0.00033  -0.00103   0.00000  -0.00104   2.99506
   D99        0.87153  -0.00227  -0.01068   0.00000  -0.01055   0.86098
   D100      -1.17695   0.00215   0.01003   0.00000   0.00994  -1.16702
   D101       1.05843  -0.00134  -0.00464   0.00000  -0.00471   1.05372
   D102      -1.13323   0.00066   0.00194   0.00000   0.00192  -1.13131
   D103      -3.12961   0.00064   0.00326   0.00000   0.00325  -3.12635
   D104      -2.96128  -0.00341  -0.01250   0.00000  -0.01256  -2.97384
   D105       1.13024  -0.00140  -0.00591   0.00000  -0.00593   1.12431
   D106      -0.86613  -0.00143  -0.00460   0.00000  -0.00460  -0.87073
   D107      -1.00807  -0.00024  -0.00083   0.00000  -0.00081  -1.00888
   D108       3.08345   0.00177   0.00575   0.00000   0.00582   3.08928
   D109       1.08708   0.00174   0.00707   0.00000   0.00716   1.09424
   D110      -1.63164   0.00063   0.00190   0.00000   0.00191  -1.62973
   D111       1.49014   0.00112   0.00445   0.00000   0.00443   1.49456
   D112       0.50614  -0.00075  -0.00076   0.00000  -0.00068   0.50547
   D113      -2.65527  -0.00025   0.00179   0.00000   0.00184  -2.65342
   D114       2.52406   0.00025  -0.00125   0.00000  -0.00130   2.52275
   D115      -0.63735   0.00074   0.00129   0.00000   0.00122  -0.63614
   D116       3.12229   0.00025   0.00131   0.00000   0.00134   3.12364
   D117      -0.02343   0.00016   0.00088   0.00000   0.00091  -0.02252
   D118      -0.00065  -0.00008  -0.00074   0.00000  -0.00074  -0.00139
   D119       3.13682  -0.00016  -0.00117   0.00000  -0.00118   3.13564
   D120      -3.12111  -0.00034  -0.00162   0.00000  -0.00160  -3.12271
   D121       0.02517  -0.00009  -0.00052   0.00000  -0.00051   0.02466
   D122       0.00124   0.00008   0.00072   0.00000   0.00074   0.00197
   D123      -3.13567   0.00033   0.00182   0.00000   0.00182  -3.13385
   D124      -0.00025   0.00000   0.00019   0.00000   0.00020  -0.00005
   D125       3.14142  -0.00010  -0.00039   0.00000  -0.00039   3.14103
   D126      -3.13773   0.00009   0.00062   0.00000   0.00063  -3.13710
   D127       0.00395  -0.00002   0.00004   0.00000   0.00004   0.00399
   D128       0.00057   0.00007   0.00039   0.00000   0.00039   0.00096
   D129       3.14067  -0.00009  -0.00047   0.00000  -0.00049   3.14018
   D130      -3.14111   0.00018   0.00097   0.00000   0.00097  -3.14013
   D131      -0.00101   0.00001   0.00010   0.00000   0.00010  -0.00091
   D132       0.00002  -0.00007  -0.00040   0.00000  -0.00040  -0.00038
   D133      -3.13801  -0.00027  -0.00133   0.00000  -0.00133  -3.13935
   D134      -3.14003   0.00009   0.00048   0.00000   0.00047  -3.13956
   D135       0.00512  -0.00010  -0.00045   0.00000  -0.00046   0.00466
   D136      -0.00095   0.00000  -0.00017   0.00000  -0.00017  -0.00112
   D137       3.13614  -0.00025  -0.00125   0.00000  -0.00124   3.13489
   D138       3.13698   0.00021   0.00084   0.00000   0.00083   3.13781
   D139      -0.00911  -0.00004  -0.00024   0.00000  -0.00025  -0.00936
   D140      -1.04251  -0.00081  -0.00028   0.00000  -0.00041  -1.04292
   D141      -3.12640   0.00038   0.00251   0.00000   0.00239  -3.12401
   D142       1.08255  -0.00348  -0.01404   0.00000  -0.01393   1.06862
   D143       1.13916  -0.00070   0.00061   0.00000   0.00055   1.13971
   D144      -0.94473   0.00049   0.00340   0.00000   0.00335  -0.94138
   D145      -3.01896  -0.00337  -0.01316   0.00000  -0.01297  -3.03193
   D146       3.11274   0.00116   0.00480   0.00000   0.00473   3.11748
   D147       1.02885   0.00236   0.00759   0.00000   0.00753   1.03638
   D148      -1.04538  -0.00150  -0.00897   0.00000  -0.00879  -1.05417
   D149       2.41087  -0.00239  -0.01232   0.00000  -0.01234   2.39853
   D150      -1.72276  -0.00393  -0.01926   0.00000  -0.01950  -1.74226
   D151       0.26450   0.00242   0.01125   0.00000   0.01151   0.27601
   D152      -0.86496  -0.00383  -0.01048   0.00000  -0.01055  -0.87551
   D153      -3.05196  -0.00361  -0.01451   0.00000  -0.01438  -3.06634
   D154       1.25066  -0.00441  -0.01524   0.00000  -0.01549   1.23517
   D155      -3.02610   0.00519   0.02162   0.00000   0.02172  -3.00438
   D156       1.07008   0.00540   0.01758   0.00000   0.01790   1.08798
   D157      -0.91048   0.00460   0.01685   0.00000   0.01678  -0.89370
   D158       1.24905  -0.00191  -0.00709   0.00000  -0.00716   1.24189
   D159      -0.93795  -0.00169  -0.01113   0.00000  -0.01098  -0.94894
   D160      -2.91851  -0.00249  -0.01185   0.00000  -0.01210  -2.93061
   D161       3.12220  -0.00390  -0.01962   0.00000  -0.01966   3.10254
   D162      -1.09979   0.00083   0.00028   0.00000   0.00029  -1.09950
   D163       0.94551  -0.00254  -0.01340   0.00000  -0.01329   0.93222
   D164      -1.02125   0.00116   0.00773   0.00000   0.00769  -1.01355
   D165       1.03994   0.00588   0.02763   0.00000   0.02765   1.06759
   D166       3.08524   0.00251   0.01396   0.00000   0.01407   3.09931
   D167       1.08561  -0.00426  -0.01880   0.00000  -0.01893   1.06668
   D168      -3.13639   0.00046   0.00110   0.00000   0.00103  -3.13536
   D169      -1.09109  -0.00291  -0.01257   0.00000  -0.01255  -1.10364
   D170       1.15366  -0.00197   0.00091   0.00000   0.00104   1.15470
   D171      -1.99318  -0.00381  -0.01001   0.00000  -0.00984  -2.00301
   D172      -1.05748   0.00123   0.00234   0.00000   0.00241  -1.05507
   D173       2.07887  -0.00061  -0.00859   0.00000  -0.00846   2.07041
   D174       3.08216   0.00408   0.02029   0.00000   0.02002   3.10218
   D175      -0.06468   0.00225   0.00936   0.00000   0.00914  -0.05553
   D176       1.61296   0.00235   0.01025   0.00000   0.01035   1.62331
   D177      -1.52975   0.00231   0.00995   0.00000   0.01006  -1.51969
   D178      -0.47146  -0.00049  -0.00433   0.00000  -0.00445  -0.47591
   D179       2.66902  -0.00053  -0.00463   0.00000  -0.00475   2.66427
   D180      -2.46282  -0.00082  -0.00047   0.00000  -0.00046  -2.46328
   D181       0.67766  -0.00086  -0.00077   0.00000  -0.00075   0.67690
   D182       3.14159   0.00002   0.00018   0.00000   0.00018  -3.14142
   D183       0.00746   0.00000   0.00016   0.00000   0.00016   0.00762
   D184       0.00107   0.00007   0.00048   0.00000   0.00049   0.00156
   D185      -3.13307   0.00004   0.00047   0.00000   0.00047  -3.13259
   D186      -3.14075  -0.00003  -0.00022   0.00000  -0.00021  -3.14096
   D187      -0.00073   0.00000  -0.00004   0.00000  -0.00003  -0.00076
   D188      -0.00019  -0.00007  -0.00052   0.00000  -0.00052  -0.00071
   D189       3.13984  -0.00005  -0.00034   0.00000  -0.00035   3.13949
   D190      -0.00114  -0.00001  -0.00012   0.00000  -0.00012  -0.00126
   D191      -3.13994  -0.00001  -0.00005   0.00000  -0.00005  -3.13999
   D192       3.13306   0.00002  -0.00008   0.00000  -0.00008   3.13299
   D193      -0.00574   0.00001  -0.00001   0.00000   0.00000  -0.00574
   D194       0.00029  -0.00004  -0.00021   0.00000  -0.00021   0.00008
   D195      -3.14093   0.00004   0.00024   0.00000   0.00024  -3.14070
   D196       3.13915  -0.00004  -0.00032   0.00000  -0.00032   3.13883
   D197      -0.00207   0.00004   0.00013   0.00000   0.00013  -0.00194
   D198       0.00056   0.00004   0.00019   0.00000   0.00018   0.00074
   D199      -3.14018   0.00006   0.00035   0.00000   0.00035  -3.13984
   D200      -3.14140  -0.00005  -0.00026   0.00000  -0.00026   3.14152
   D201       0.00104  -0.00002  -0.00010   0.00000  -0.00010   0.00094
   D202      -0.00062   0.00003   0.00021   0.00000   0.00020  -0.00042
   D203      -3.14053  -0.00001  -0.00002   0.00000  -0.00002  -3.14055
   D204       3.14011   0.00000   0.00004   0.00000   0.00004   3.14015
   D205       0.00020  -0.00004  -0.00018   0.00000  -0.00018   0.00002
   D206       0.00071  -0.00127  -0.00539   0.00000  -0.00544  -0.00473
   D207       3.13676  -0.00227  -0.01355   0.00000  -0.01357   3.12319
   D208      -3.13576   0.00054   0.00527   0.00000   0.00530  -3.13047
   D209       0.00028  -0.00046  -0.00289   0.00000  -0.00284  -0.00255
   D210       3.13169  -0.00250  -0.01097   0.00000  -0.01094   3.12075
   D211      -0.01523  -0.00346  -0.01881   0.00000  -0.01884  -0.03408
   D212      -1.09648  -0.01123  -0.05577   0.00000  -0.05613  -1.15261
   D213       3.02593  -0.00969  -0.04673   0.00000  -0.04400   2.98193
   D214       0.94466   0.00436   0.00764   0.00000   0.00526   0.94993
   D215      -0.15974   0.00420   0.01122   0.00000   0.01243  -0.14731
   D216       2.98780   0.00480   0.01613   0.00000   0.01719   3.00499
   D217       2.01259  -0.00830  -0.03218   0.00000  -0.03195   1.98064
   D218      -1.12305  -0.00770  -0.02727   0.00000  -0.02720  -1.15025
   D219      -2.26255   0.00010  -0.00787   0.00000  -0.00908  -2.27162
   D220       0.88500   0.00069  -0.00296   0.00000  -0.00433   0.88068
   D221      -3.13713   0.00069   0.00390   0.00000   0.00409  -3.13304
   D222      -0.00085   0.00040   0.00118   0.00000   0.00132   0.00047
   D223      -0.00032   0.00011  -0.00020   0.00000  -0.00024  -0.00056
   D224       3.13596  -0.00018  -0.00292   0.00000  -0.00301   3.13295
   D225       3.13750  -0.00053  -0.00309   0.00000  -0.00304   3.13445
   D226       0.00070  -0.00003   0.00089   0.00000   0.00088   0.00158
   D227      -0.00040  -0.00016  -0.00092   0.00000  -0.00083  -0.00122
   D228      -3.13669   0.00009   0.00172   0.00000   0.00178  -3.13491
   D229       0.00088   0.00013   0.00149   0.00000   0.00150   0.00239
   D230       3.14136   0.00016   0.00076   0.00000   0.00072  -3.14110
   D231      -0.00091  -0.00007  -0.00135   0.00000  -0.00144  -0.00234
   D232      -3.14133  -0.00010  -0.00060   0.00000  -0.00064   3.14122
   D233       0.14183  -0.00177  -0.00561   0.00000  -0.00543   0.13640
   D234       2.29293  -0.00458  -0.01649   0.00000  -0.01651   2.27642
   D235      -1.97098  -0.00232  -0.00934   0.00000  -0.00930  -1.98028
   D236      -2.12816   0.00442   0.01483   0.00000   0.01489  -2.11327
   D237       0.02294   0.00161   0.00395   0.00000   0.00382   0.02675
   D238       2.04222   0.00386   0.01110   0.00000   0.01103   2.05324
   D239       2.15725   0.00102   0.00697   0.00000   0.00706   2.16431
   D240      -1.97484  -0.00179  -0.00391   0.00000  -0.00401  -1.97886
   D241       0.04444   0.00046   0.00323   0.00000   0.00320   0.04763
   D242       2.68425   0.00186   0.00525   0.00000   0.00532   2.68956
   D243      -1.47726  -0.00004  -0.00155   0.00000  -0.00148  -1.47875
   D244       0.67004  -0.00100  -0.00511   0.00000  -0.00508   0.66496
   D245      -1.35177   0.00170   0.00863   0.00000   0.00859  -1.34318
   D246       0.76991  -0.00020   0.00183   0.00000   0.00179   0.77169
   D247       2.91721  -0.00115  -0.00173   0.00000  -0.00181   2.91540
   D248       0.66942   0.00237   0.00880   0.00000   0.00881   0.67823
   D249       2.79109   0.00047   0.00201   0.00000   0.00201   2.79310
   D250      -1.34479  -0.00048  -0.00156   0.00000  -0.00158  -1.34637
   D251       0.00122   0.00008   0.00058   0.00000   0.00060   0.00182
   D252      -3.14017  -0.00044  -0.00196   0.00000  -0.00191   3.14110
         Item               Value     Threshold  Converged?
 Maximum Force            0.058862     0.000450     NO 
 RMS     Force            0.008757     0.000300     NO 
 Maximum Displacement     1.173334     0.001800     NO 
 RMS     Displacement     0.160505     0.001200     NO 
 Predicted change in Energy=-4.454561D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0      -10.014863   -2.146847    2.163263
      2          6           0       -9.654172   -1.558966    0.793688
      3          6           0      -10.456139   -0.262298    0.485538
      4          6           0       -8.189243   -1.191528    0.742489
      5          7           0       -7.467308   -1.088491   -0.390509
      6          6           0       -6.148517   -0.753414   -0.171535
      7          6           0       -5.196501   -0.567348   -1.366197
      8          7           0       -4.986324    0.883605   -1.615656
      9          6           0       -5.975243    1.591317   -2.467718
     10          6           0       -3.913512    1.611389   -1.086576
     11          8           0       -3.843880    2.826857   -1.285858
     12          7           0       -2.930303    0.967177   -0.332184
     13          6           0       -1.803489    1.796551    0.207869
     14          6           0       -0.597397    1.633429   -0.728015
     15          8           0       -0.603328    0.827296   -1.654833
     16          7           0        0.532316    2.418783   -0.530869
     17          6           0        1.725809    2.320722   -1.380196
     18          6           0        1.983945    3.660475   -2.160243
     19          6           0        2.146282    4.864454   -1.254560
     20          6           0        1.021937    5.676953   -0.938183
     21          6           0        1.140500    6.786493   -0.083892
     22          6           0        2.396225    7.112219    0.478684
     23          6           0        3.516799    6.319790    0.174846
     24          6           0        3.392303    5.210712   -0.681508
     25          6           0        3.004007    1.799647   -0.693057
     26          6           0        2.901162    0.383271   -0.103686
     27          8           0        1.867977    0.308458    0.890185
     28          6           0        4.258124   -0.080056    0.616067
     29          6           0        5.517153    0.119633   -0.250938
     30          6           0        6.774567   -0.280345    0.490083
     31          6           0        7.331414   -1.568590    0.401031
     32          6           0        8.500506   -1.922213    1.097126
     33          6           0        9.143715   -0.972596    1.907888
     34          6           0        8.604172    0.330251    2.012853
     35          6           0        7.442875    0.670343    1.318490
     36          7           0        4.116109   -1.496759    1.067959
     37          6           0        3.990149   -2.548659    0.204763
     38          8           0        3.974805   -2.451238   -1.014285
     39          8           0        3.895842   -3.762851    0.833820
     40          6           0        3.733947   -4.971665    0.102887
     41          6           0        2.424782   -5.075142   -0.626321
     42          6           0        1.300662   -4.220515   -0.544690
     43          7           0        0.218523   -4.550743   -1.316925
     44          6           0        0.411296   -5.660657   -2.043855
     45         16           0        2.005615   -6.318689   -1.747502
     46          6           0       -1.504896    1.351378    1.679966
     47          6           0       -1.080244   -0.143983    1.808447
     48          6           0       -0.498194    2.252008    2.400465
     49          6           0       -5.771677   -0.579733    1.171975
     50         16           0       -7.171721   -0.857518    2.131544
     51          1           0      -11.108771   -2.248298    2.250611
     52          1           0       -9.624821   -3.179777    2.251884
     53          1           0       -9.637797   -1.534943    2.998364
     54          1           0       -9.820007   -2.265900   -0.058054
     55          1           0      -10.533963    0.399569    1.351936
     56          1           0       -9.942850    0.298045   -0.329594
     57          1           0      -11.437767   -0.507450    0.066811
     58          1           0       -4.256898   -1.109381   -1.141108
     59          1           0       -5.649785   -1.037397   -2.272486
     60          1           0       -6.443634    0.886951   -3.189350
     61          1           0       -5.471335    2.367348   -3.073384
     62          1           0       -6.787701    1.998844   -1.845568
     63          1           0       -2.924951   -0.037544   -0.146344
     64          1           0       -2.176755    2.858909    0.195989
     65          1           0        0.521961    3.096739    0.248119
     66          1           0        1.469471    1.566249   -2.214647
     67          1           0        1.148977    3.842618   -2.863675
     68          1           0        2.903981    3.558327   -2.784596
     69          1           0        0.046845    5.438361   -1.369834
     70          1           0        0.267573    7.394644    0.144241
     71          1           0        2.477605    7.977067    1.140046
     72          1           0        4.476743    6.574396    0.611786
     73          1           0        4.287024    4.632957   -0.891434
     74          1           0        3.333646    2.519982    0.092179
     75          1           0        3.845388    1.786401   -1.439936
     76          1           0        2.680321   -0.361836   -0.920858
     77          1           0        1.338063   -0.516112    0.797059
     78          1           0        4.298820    0.561697    1.556191
     79          1           0        5.443969   -0.520474   -1.171840
     80          1           0        5.615030    1.158287   -0.630960
     81          1           0        6.852768   -2.325444   -0.231708
     82          1           0        8.913102   -2.922669    1.011968
     83          1           0       10.053895   -1.241738    2.451045
     84          1           0        9.102756    1.069152    2.640232
     85          1           0        7.005025    1.672378    1.381799
     86          1           0        4.125734   -1.707839    2.080031
     87          1           0        3.848906   -5.811576    0.801076
     88          1           0        4.552043   -5.063571   -0.660889
     89          1           0        1.274118   -3.332030    0.108029
     90          1           0       -0.338680   -6.070183   -2.713280
     91          1           0       -2.489725    1.473981    2.239396
     92          1           0       -0.923430   -0.618935    0.826846
     93          1           0       -0.161141   -0.248246    2.412254
     94          1           0       -1.851469   -0.706837    2.356549
     95          1           0       -0.648702    2.219181    3.501037
     96          1           0        0.555214    1.992200    2.209936
     97          1           0       -0.622936    3.319740    2.150884
     98          1           0       -4.790056   -0.318605    1.540140
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0591815      0.0258141      0.0197450
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3471.7365674375 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.192751327510     A.U. after   19 cycles
             Convg  =    0.6986D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.001674000    0.011985026   -0.004700432
      2        6          -0.004049149   -0.021914788   -0.008203599
      3        6          -0.012309831    0.007710513   -0.003052857
      4        6          -0.019073786    0.008291581   -0.016971346
      5        7           0.027114834    0.008616499    0.011125687
      6        6          -0.025712274   -0.028103633    0.008809758
      7        6           0.021324984   -0.007071831    0.007066071
      8        7          -0.006794150    0.014487037    0.009551510
      9        6          -0.000938308    0.009885531    0.003059685
     10        6           0.005522723   -0.006220776   -0.014631011
     11        8          -0.000203231   -0.000594899    0.000510209
     12        7          -0.005576012   -0.010384772    0.015512999
     13        6           0.003509509    0.007824412    0.012547919
     14        6          -0.010054322    0.019081395   -0.004387283
     15        8           0.001786677   -0.002644970    0.003285895
     16        7           0.013378656   -0.021562410    0.005291603
     17        6          -0.007501475    0.018723865   -0.019143850
     18        6          -0.003542577   -0.015889984    0.011595115
     19        6           0.006729584   -0.012821882    0.003444448
     20        6          -0.009402826   -0.002142228    0.002252778
     21        6          -0.015800144    0.003715947    0.002631555
     22        6           0.003080309    0.012057443   -0.001901287
     23        6           0.013277281    0.004506972   -0.003010045
     24        6           0.008140196    0.000936088   -0.001814697
     25        6          -0.000500240   -0.009771261    0.008238712
     26        6          -0.016173978    0.014676410    0.000304409
     27        8          -0.004336829   -0.007562669   -0.001132317
     28        6           0.018096137   -0.007748924   -0.005192380
     29        6          -0.007516831    0.007730227    0.008016593
     30        6          -0.010117121   -0.015205775    0.008599013
     31        6           0.003218580    0.002400380   -0.002942221
     32        6           0.004647143   -0.013607176   -0.003933007
     33        6           0.007609940    0.002009702   -0.005406234
     34        6          -0.002594479    0.008968654    0.002110731
     35        6           0.006272351    0.013390433   -0.003976132
     36        7           0.007439058   -0.013831184    0.020022814
     37        6          -0.009309062    0.016206745   -0.040661838
     38        8          -0.000533449    0.001935419    0.001290150
     39        8           0.006828868   -0.013738481    0.032115376
     40        6          -0.000819236    0.037229484   -0.028431930
     41        6           0.033161289   -0.013735404   -0.006644159
     42        6          -0.038239519   -0.015557973    0.018513255
     43        7           0.006061893    0.028218857   -0.006820991
     44        6           0.009047508   -0.026076329    0.001266333
     45       16          -0.009664123    0.004463567    0.002031167
     46        6           0.001790933    0.005196485    0.008647850
     47        6           0.008455044   -0.007628021   -0.005920332
     48        6           0.005578514   -0.007870772   -0.002287790
     49        6           0.003410933    0.022764683   -0.022046354
     50       16           0.000410110   -0.006846600    0.007582610
     51        1          -0.001173733   -0.003899212    0.000440825
     52        1           0.001101135   -0.005952500   -0.001241011
     53        1           0.002708518    0.005061130   -0.000191454
     54        1           0.003212689    0.002979379    0.005804125
     55        1           0.001359801    0.002762885    0.000018696
     56        1           0.003745496   -0.001516772    0.005091187
     57        1           0.002490939   -0.003288530    0.004120907
     58        1          -0.002868075   -0.000720284   -0.003214563
     59        1          -0.001100191   -0.000338847    0.000161068
     60        1          -0.001424731   -0.003236659    0.001935245
     61        1           0.002469307   -0.004238181    0.001869896
     62        1          -0.000604219   -0.003493063   -0.002746165
     63        1          -0.002816074   -0.002992291   -0.006706052
     64        1          -0.003279770   -0.004410416   -0.001367580
     65        1          -0.009722550    0.004781828   -0.003331557
     66        1           0.000791408   -0.005110319    0.004060114
     67        1           0.000075249    0.002141391    0.000880333
     68        1           0.004767954    0.002160952    0.002206617
     69        1          -0.001904642   -0.000816981    0.000570181
     70        1          -0.000817669    0.000373393   -0.000012406
     71        1          -0.002073312    0.003096366    0.000061217
     72        1          -0.001865937    0.000545165    0.000041592
     73        1           0.000351181    0.003085169   -0.000559805
     74        1           0.002526384    0.003515119    0.000397141
     75        1           0.007488125   -0.000726823    0.001622199
     76        1           0.002351151   -0.004503508   -0.000030870
     77        1          -0.002712073   -0.001652866   -0.004200974
     78        1          -0.006533529    0.006609668   -0.000185835
     79        1           0.003536859   -0.001933092   -0.000015552
     80        1           0.003100586    0.000673614    0.003449553
     81        1           0.000533936   -0.003098202   -0.000251006
     82        1           0.000441483    0.001376173   -0.000277432
     83        1           0.003459513    0.000446725   -0.002616029
     84        1           0.000300412    0.001248852   -0.000223025
     85        1          -0.004720520   -0.000239825    0.003560809
     86        1          -0.000684617   -0.003191830   -0.008733601
     87        1           0.002632195   -0.010863270    0.007591871
     88        1           0.000629839   -0.005436762    0.000656694
     89        1          -0.000648622    0.009064063   -0.001884525
     90        1          -0.004349996   -0.000556834    0.001679413
     91        1          -0.006717587    0.002789960   -0.003274062
     92        1           0.000667586   -0.003839660    0.002490331
     93        1           0.001304476    0.002526992   -0.004604208
     94        1          -0.002404008    0.001131927   -0.003261200
     95        1          -0.003419776    0.005766245   -0.003768929
     96        1           0.001347206    0.003609587    0.000035521
     97        1          -0.000915496    0.003862744    0.000835025
     98        1           0.005907594    0.001966787    0.000905128
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.040661838 RMS     0.009437745

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.030625654 RMS     0.005026503
 Search for a local minimum.
 Step number   3 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    2    3
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00315   0.00323   0.00400   0.00486   0.00585
     Eigenvalues ---    0.00623   0.00640   0.00665   0.00799   0.00854
     Eigenvalues ---    0.00860   0.00902   0.00911   0.00925   0.00936
     Eigenvalues ---    0.01025   0.01033   0.01057   0.01082   0.01123
     Eigenvalues ---    0.01212   0.01223   0.01234   0.01237   0.01345
     Eigenvalues ---    0.01361   0.01412   0.01446   0.01461   0.01478
     Eigenvalues ---    0.01489   0.01559   0.01597   0.01598   0.01636
     Eigenvalues ---    0.01732   0.01781   0.01913   0.01965   0.01977
     Eigenvalues ---    0.01991   0.02068   0.02119   0.02184   0.02193
     Eigenvalues ---    0.02203   0.02221   0.02257   0.02272   0.02294
     Eigenvalues ---    0.02334   0.02376   0.02406   0.02409   0.02412
     Eigenvalues ---    0.02447   0.02482   0.02484   0.02527   0.02528
     Eigenvalues ---    0.02636   0.02705   0.02747   0.03431   0.03632
     Eigenvalues ---    0.03704   0.03997   0.04146   0.04309   0.04463
     Eigenvalues ---    0.04543   0.04722   0.04775   0.04926   0.05080
     Eigenvalues ---    0.05087   0.05183   0.05284   0.05308   0.05345
     Eigenvalues ---    0.05348   0.05391   0.05395   0.05439   0.05473
     Eigenvalues ---    0.05662   0.05737   0.05807   0.05838   0.05893
     Eigenvalues ---    0.05965   0.06148   0.06237   0.06332   0.06382
     Eigenvalues ---    0.06684   0.06816   0.07246   0.07417   0.07528
     Eigenvalues ---    0.07641   0.09101   0.09549   0.09590   0.09713
     Eigenvalues ---    0.11986   0.12696   0.12905   0.13015   0.13016
     Eigenvalues ---    0.14281   0.15757   0.15996   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16151   0.16501   0.16719
     Eigenvalues ---    0.17340   0.17378   0.17426   0.17526   0.17764
     Eigenvalues ---    0.17995   0.18240   0.18301   0.19518   0.19843
     Eigenvalues ---    0.21629   0.21859   0.21913   0.21953   0.21961
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22004   0.22188   0.22487   0.23312   0.23468
     Eigenvalues ---    0.23553   0.23730   0.24405   0.24996   0.24996
     Eigenvalues ---    0.24998   0.24999   0.24999   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25128   0.28996   0.29179   0.29618
     Eigenvalues ---    0.29762   0.29896   0.30000   0.30126   0.30246
     Eigenvalues ---    0.30410   0.30745   0.31098   0.31211   0.31307
     Eigenvalues ---    0.31422   0.31433   0.31477   0.31531   0.31559
     Eigenvalues ---    0.31693   0.31999   0.32176   0.32378   0.32438
     Eigenvalues ---    0.32574   0.32736   0.32776   0.32803   0.32816
     Eigenvalues ---    0.32940   0.32962   0.33025   0.33066   0.33097
     Eigenvalues ---    0.33172   0.33213   0.33334   0.33491   0.33546
     Eigenvalues ---    0.33581   0.33589   0.33668   0.33718   0.33923
     Eigenvalues ---    0.33979   0.33994   0.34039   0.34199   0.34231
     Eigenvalues ---    0.34268   0.34324   0.34349   0.34360   0.34472
     Eigenvalues ---    0.34505   0.34674   0.34726   0.34758   0.35577
     Eigenvalues ---    0.36067   0.36254   0.36307   0.36371   0.36635
     Eigenvalues ---    0.36817   0.36946   0.37122   0.38594   0.39022
     Eigenvalues ---    0.39465   0.41536   0.41814   0.42567   0.42721
     Eigenvalues ---    0.42973   0.43112   0.43299   0.44025   0.44292
     Eigenvalues ---    0.44941   0.45199   0.46516   0.47543   0.48378
     Eigenvalues ---    0.48482   0.48613   0.48717   0.49115   0.49430
     Eigenvalues ---    0.50095   0.50440   0.50921   0.51265   0.51451
     Eigenvalues ---    0.55679   0.58714   0.60727   0.64247   0.65296
     Eigenvalues ---    0.75938   0.77749   0.840891000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-4.18108240D-02 EMin= 3.14684368D-03
 Quartic linear search produced a step of -0.00750.
 Iteration  1 RMS(Cart)=  0.18766770 RMS(Int)=  0.00384121
 Iteration  2 RMS(Cart)=  0.01051124 RMS(Int)=  0.00019429
 Iteration  3 RMS(Cart)=  0.00003066 RMS(Int)=  0.00019401
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00019401
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89778  -0.00582  -0.00041  -0.00655  -0.00696   2.89082
    R2        2.08261  -0.00229   0.00003  -0.00665  -0.00661   2.07599
    R3        2.09319  -0.00492   0.00012  -0.01593  -0.01581   2.07738
    R4        2.08213  -0.00502   0.00015  -0.01673  -0.01657   2.06556
    R5        2.93939  -0.00935  -0.00031  -0.02002  -0.02033   2.91907
    R6        2.85571  -0.00707  -0.00002  -0.01899  -0.01900   2.83670
    R7        2.11508   0.00073  -0.00014   0.00469   0.00455   2.11963
    R8        2.06557  -0.00196   0.00007  -0.00651  -0.00644   2.05913
    R9        2.10591  -0.00594   0.00012  -0.01902  -0.01889   2.08702
   R10        2.06925  -0.00111   0.00002  -0.00326  -0.00324   2.06601
   R11        2.54622  -0.02240  -0.00023  -0.02813  -0.02837   2.51785
   R12        3.31451   0.00203  -0.00048   0.01547   0.01508   3.32959
   R13        2.60442   0.01217  -0.00067   0.03009   0.02931   2.63374
   R14        2.90808  -0.01763  -0.00004  -0.05063  -0.05067   2.85740
   R15        2.65719  -0.02699  -0.00032  -0.04170  -0.04209   2.61510
   R16        2.81034  -0.01155  -0.00056  -0.01304  -0.01360   2.79674
   R17        2.09352   0.00106  -0.00013   0.00525   0.00513   2.09865
   R18        2.11089  -0.00054  -0.00011   0.00090   0.00078   2.11168
   R19        2.80599  -0.00354  -0.00016  -0.00534  -0.00550   2.80049
   R20        2.64597   0.00334   0.00004   0.00582   0.00586   2.65182
   R21        2.10115  -0.00373   0.00009  -0.01194  -0.01185   2.08929
   R22        2.08982  -0.00076   0.00002  -0.00247  -0.00244   2.08737
   R23        2.08148   0.00011  -0.00004   0.00106   0.00102   2.08250
   R24        2.33129   0.00005   0.00034  -0.00696  -0.00662   2.32467
   R25        2.63941   0.00827   0.00012   0.01413   0.01425   2.65366
   R26        2.83410  -0.01506  -0.00017  -0.03434  -0.03451   2.79959
   R27        1.93088  -0.00617   0.00015  -0.01608  -0.01593   1.91495
   R28        2.90130   0.00127  -0.00042   0.01174   0.01132   2.91261
   R29        2.96055  -0.01275  -0.00067  -0.01978  -0.02044   2.94010
   R30        2.12800   0.00188  -0.00029   0.01069   0.01040   2.13840
   R31        2.32127  -0.00381   0.00017  -0.00775  -0.00758   2.31369
   R32        2.62658   0.00328   0.00025   0.00156   0.00181   2.62840
   R33        2.77436  -0.00273  -0.00048   0.00409   0.00361   2.77797
   R34        1.95160  -0.00809   0.00018  -0.02166  -0.02148   1.93012
   R35        2.96997  -0.01494  -0.00035  -0.03659  -0.03694   2.93303
   R36        2.91378  -0.00732  -0.00058  -0.00655  -0.00712   2.90665
   R37        2.18036  -0.00599  -0.00012  -0.01463  -0.01475   2.16561
   R38        2.86353  -0.01225  -0.00045  -0.02024  -0.02069   2.84284
   R39        2.09168   0.00039  -0.00015   0.00395   0.00380   2.09549
   R40        2.11000  -0.00492   0.00003  -0.01407  -0.01403   2.09597
   R41        2.68873  -0.01908  -0.00040  -0.02696  -0.02734   2.66139
   R42        2.67305  -0.01745  -0.00038  -0.02327  -0.02362   2.64942
   R43        2.65569  -0.01410  -0.00034  -0.01820  -0.01854   2.63715
   R44        2.06496  -0.00205  -0.00014  -0.00207  -0.00221   2.06274
   R45        2.67210  -0.01515  -0.00044  -0.01732  -0.01778   2.65432
   R46        2.05615  -0.00088  -0.00014   0.00072   0.00059   2.05674
   R47        2.65636  -0.01203  -0.00019  -0.01780  -0.01801   2.63835
   R48        2.06317  -0.00346   0.00001  -0.00883  -0.00883   2.05434
   R49        2.65834  -0.01065  -0.00007  -0.01868  -0.01875   2.63959
   R50        2.05036   0.00101  -0.00009   0.00431   0.00422   2.05457
   R51        2.05137   0.00049  -0.00012   0.00365   0.00353   2.05490
   R52        2.90555  -0.01131  -0.00040  -0.02134  -0.02174   2.88381
   R53        2.10782  -0.00336  -0.00006  -0.00759  -0.00765   2.10017
   R54        2.12619  -0.00721   0.00007  -0.02182  -0.02175   2.10445
   R55        2.71283  -0.00770  -0.00052  -0.00349  -0.00401   2.70882
   R56        3.03186  -0.02031  -0.00069  -0.04443  -0.04513   2.98673
   R57        2.13106  -0.00455  -0.00019  -0.00801  -0.00820   2.12286
   R58        1.86058  -0.00386   0.00000  -0.00692  -0.00692   1.85366
   R59        2.91332  -0.01032  -0.00056  -0.01452  -0.01508   2.89824
   R60        2.82286  -0.01001  -0.00043  -0.01391  -0.01434   2.80852
   R61        2.15241  -0.00753  -0.00002  -0.02102  -0.02104   2.13137
   R62        2.85979  -0.00938  -0.00024  -0.01917  -0.01940   2.84039
   R63        2.12386  -0.00248  -0.00009  -0.00481  -0.00490   2.11897
   R64        2.09819  -0.00294   0.00001  -0.00802  -0.00801   2.09018
   R65        2.65746  -0.01240  -0.00034  -0.01455  -0.01486   2.64260
   R66        2.69689  -0.01710  -0.00024  -0.02862  -0.02884   2.66805
   R67        2.65664  -0.00844  -0.00006  -0.01480  -0.01485   2.64179
   R68        2.07206  -0.00293  -0.00002  -0.00693  -0.00695   2.06511
   R69        2.65426  -0.01086  -0.00021  -0.01560  -0.01582   2.63844
   R70        2.05138   0.00054  -0.00007   0.00272   0.00266   2.05403
   R71        2.67217  -0.01348  -0.00039  -0.01586  -0.01629   2.65588
   R72        2.06654  -0.00427   0.00006  -0.01214  -0.01208   2.05446
   R73        2.63643  -0.00821  -0.00029  -0.00852  -0.00882   2.62761
   R74        2.05986  -0.00130  -0.00012  -0.00066  -0.00078   2.05908
   R75        2.06991  -0.00434   0.00000  -0.01090  -0.01091   2.05901
   R76        2.58241   0.01387   0.00049   0.01846   0.01896   2.60137
   R77        1.95378  -0.00706   0.00023  -0.02064  -0.02041   1.93336
   R78        2.31119  -0.00016   0.00038  -0.00818  -0.00780   2.30339
   R79        2.59028   0.01380   0.00006   0.02355   0.02361   2.61390
   R80        2.68694   0.00654  -0.00026   0.01764   0.01738   2.70432
   R81        2.83860  -0.01444   0.00005  -0.04033  -0.04028   2.79832
   R82        2.07538   0.00411  -0.00003   0.01102   0.01099   2.08637
   R83        2.12212  -0.00203   0.00001  -0.00589  -0.00588   2.11625
   R84        2.67294  -0.03063  -0.00039  -0.04642  -0.04685   2.62609
   R85        3.26171  -0.00303  -0.00011  -0.00559  -0.00561   3.25610
   R86        2.58859   0.01418  -0.00068   0.03259   0.03179   2.62038
   R87        2.08398  -0.00890   0.00011  -0.02617  -0.02606   2.05792
   R88        2.53357  -0.01898  -0.00015  -0.02520  -0.02539   2.50818
   R89        3.30712   0.00007  -0.00039   0.00840   0.00809   3.31522
   R90        2.05129  -0.00303   0.00019  -0.01187  -0.01168   2.03962
   R91        2.94757  -0.01561  -0.00042  -0.03465  -0.03507   2.91251
   R92        2.89301  -0.00635  -0.00037  -0.00876  -0.00914   2.88387
   R93        2.15286  -0.00766  -0.00001  -0.02170  -0.02171   2.13116
   R94        2.08188  -0.00448   0.00009  -0.01381  -0.01372   2.06816
   R95        2.08745  -0.00448   0.00014  -0.01519  -0.01505   2.07240
   R96        2.08042  -0.00338   0.00006  -0.01017  -0.01011   2.07031
   R97        2.10005  -0.00681   0.00021  -0.02347  -0.02327   2.07679
   R98        2.08168  -0.00132   0.00006  -0.00468  -0.00462   2.07706
   R99        2.08548  -0.00328   0.00006  -0.00989  -0.00983   2.07564
   R100       3.25014  -0.00272  -0.00011  -0.00450  -0.00457   3.24557
   R101       2.04170  -0.00556   0.00023  -0.01921  -0.01898   2.02272
    A1        1.91724   0.00124  -0.00015   0.00961   0.00935   1.92659
    A2        1.92425   0.00202  -0.00017   0.01613   0.01583   1.94007
    A3        1.96441   0.00161  -0.00012   0.00639   0.00627   1.97068
    A4        1.83106   0.00055   0.00008   0.00889   0.00872   1.83979
    A5        1.90788  -0.00311   0.00019  -0.02460  -0.02439   1.88350
    A6        1.91425  -0.00245   0.00017  -0.01668  -0.01653   1.89772
    A7        1.95547  -0.00268   0.00005  -0.01242  -0.01277   1.94270
    A8        1.92996   0.00226  -0.00004   0.01543   0.01554   1.94550
    A9        1.98524  -0.00391   0.00013  -0.04376  -0.04361   1.94162
   A10        1.86544   0.00220  -0.00011   0.02263   0.02242   1.88786
   A11        1.87484   0.00225  -0.00006   0.01282   0.01202   1.88685
   A12        1.84567   0.00040   0.00002   0.01027   0.01016   1.85583
   A13        1.96541  -0.00104   0.00000  -0.01057  -0.01065   1.95476
   A14        1.90349   0.00375  -0.00030   0.03089   0.03043   1.93392
   A15        1.92978   0.00052  -0.00008   0.00263   0.00224   1.93202
   A16        1.88400  -0.00115   0.00013  -0.00616  -0.00597   1.87802
   A17        1.95502  -0.00263   0.00016  -0.02737  -0.02741   1.92761
   A18        1.81911   0.00086   0.00008   0.01421   0.01390   1.83302
   A19        2.17303  -0.00272   0.00031  -0.01596  -0.01570   2.15733
   A20        2.19179  -0.00525   0.00028  -0.02377  -0.02354   2.16826
   A21        1.91829   0.00797  -0.00060   0.03983   0.03930   1.95759
   A22        1.97980  -0.00630   0.00051  -0.03228  -0.03193   1.94787
   A23        2.09212  -0.00336   0.00001  -0.01024  -0.01017   2.08195
   A24        2.02449   0.00078   0.00011  -0.00170  -0.00175   2.02274
   A25        2.16641   0.00259  -0.00012   0.01204   0.01200   2.17841
   A26        1.91305   0.00119  -0.00024   0.01061   0.01038   1.92343
   A27        1.88368   0.00302   0.00001   0.01898   0.01908   1.90276
   A28        1.90491  -0.00020   0.00014   0.00030   0.00040   1.90531
   A29        1.97313  -0.00389   0.00011  -0.02644  -0.02640   1.94673
   A30        1.90902   0.00037  -0.00007   0.00330   0.00314   1.91216
   A31        1.87877  -0.00041   0.00006  -0.00631  -0.00637   1.87239
   A32        2.05685  -0.00106  -0.00012  -0.00111  -0.00126   2.05560
   A33        2.15558   0.00330  -0.00014   0.01389   0.01372   2.16930
   A34        2.07074  -0.00225   0.00026  -0.01283  -0.01260   2.05815
   A35        1.92949  -0.00105  -0.00001   0.00055   0.00050   1.93000
   A36        1.92331  -0.00081   0.00002  -0.00717  -0.00721   1.91611
   A37        1.92141   0.00147  -0.00010   0.00653   0.00634   1.92775
   A38        1.85567   0.00270  -0.00005   0.01918   0.01913   1.87481
   A39        1.86528   0.00165  -0.00001   0.01376   0.01369   1.87897
   A40        1.96689  -0.00387   0.00015  -0.03162  -0.03158   1.93532
   A41        2.08785   0.00520  -0.00014   0.02023   0.02006   2.10791
   A42        2.09868  -0.00876   0.00014  -0.03206  -0.03194   2.06674
   A43        2.09664   0.00357   0.00000   0.01178   0.01177   2.10841
   A44        2.05819   0.00286  -0.00009   0.01230   0.01182   2.07001
   A45        2.15971  -0.00031   0.00011  -0.00245  -0.00273   2.15698
   A46        2.06502  -0.00260  -0.00001  -0.01096  -0.01135   2.05367
   A47        1.88806  -0.00051   0.00009  -0.00545  -0.00535   1.88271
   A48        1.90120  -0.00099  -0.00032   0.00274   0.00240   1.90360
   A49        1.84301   0.00185   0.00006   0.01407   0.01411   1.85712
   A50        1.97455   0.00099   0.00012  -0.00102  -0.00090   1.97364
   A51        1.93285  -0.00136   0.00000  -0.01029  -0.01027   1.92258
   A52        1.91895   0.00007   0.00003   0.00113   0.00110   1.92005
   A53        2.12453   0.00352  -0.00029   0.01767   0.01729   2.14182
   A54        2.08519  -0.01108   0.00031  -0.04320  -0.04298   2.04221
   A55        2.07345   0.00755  -0.00002   0.02544   0.02534   2.09879
   A56        2.14236  -0.00483   0.00014  -0.02080  -0.02066   2.12170
   A57        2.05982   0.00999  -0.00019   0.04936   0.04917   2.10898
   A58        2.08101  -0.00516   0.00005  -0.02856  -0.02851   2.05250
   A59        1.94305   0.00008  -0.00007  -0.01057  -0.01177   1.93127
   A60        2.02491  -0.00407   0.00025  -0.03773  -0.03800   1.98690
   A61        1.85611   0.00115  -0.00005   0.01509   0.01544   1.87155
   A62        1.95316  -0.00057  -0.00008  -0.01034  -0.01151   1.94164
   A63        1.80797   0.00224  -0.00001   0.03085   0.03087   1.83884
   A64        1.86031   0.00218  -0.00008   0.02504   0.02521   1.88552
   A65        1.98041  -0.00281  -0.00012  -0.00759  -0.00768   1.97273
   A66        1.90901  -0.00126   0.00011  -0.01480  -0.01468   1.89433
   A67        1.91228  -0.00029   0.00006  -0.00518  -0.00511   1.90717
   A68        1.90700   0.00239  -0.00005   0.01332   0.01317   1.92016
   A69        1.89507   0.00263  -0.00004   0.01831   0.01823   1.91331
   A70        1.85591  -0.00049   0.00004  -0.00359  -0.00377   1.85214
   A71        2.09667  -0.00136  -0.00001  -0.00404  -0.00407   2.09260
   A72        2.13058  -0.00465   0.00012  -0.01759  -0.01750   2.11308
   A73        2.05582   0.00602  -0.00011   0.02169   0.02162   2.07744
   A74        2.11690  -0.00267   0.00016  -0.01454  -0.01436   2.10254
   A75        2.08591   0.00068  -0.00008   0.00425   0.00416   2.09007
   A76        2.08037   0.00199  -0.00007   0.01028   0.01020   2.09057
   A77        2.09284   0.00078   0.00002   0.00191   0.00191   2.09475
   A78        2.09562  -0.00049   0.00002  -0.00202  -0.00200   2.09362
   A79        2.09473  -0.00028  -0.00004   0.00011   0.00008   2.09482
   A80        2.08527   0.00032  -0.00008   0.00412   0.00400   2.08927
   A81        2.08252   0.00128  -0.00005   0.00673   0.00670   2.08922
   A82        2.11539  -0.00160   0.00013  -0.01085  -0.01070   2.10469
   A83        2.10074  -0.00108  -0.00001  -0.00161  -0.00164   2.09910
   A84        2.07826   0.00223  -0.00007   0.01054   0.01048   2.08874
   A85        2.10419  -0.00114   0.00009  -0.00893  -0.00884   2.09535
   A86        2.11481  -0.00336   0.00002  -0.01157  -0.01153   2.10327
   A87        2.11462  -0.00152   0.00003  -0.01042  -0.01040   2.10422
   A88        2.05375   0.00487  -0.00005   0.02198   0.02192   2.07566
   A89        2.01162  -0.00426   0.00007  -0.01969  -0.01965   1.99196
   A90        1.91822   0.00194  -0.00007   0.00695   0.00683   1.92504
   A91        1.90505  -0.00159   0.00007  -0.01464  -0.01443   1.89062
   A92        1.92285   0.00020   0.00004  -0.00255  -0.00258   1.92027
   A93        1.86881   0.00379  -0.00012   0.02300   0.02273   1.89155
   A94        1.82753   0.00035   0.00001   0.00989   0.00985   1.83738
   A95        1.94070  -0.00467   0.00027  -0.04119  -0.04127   1.89943
   A96        1.96213   0.00035  -0.00003  -0.00570  -0.00645   1.95568
   A97        1.92196   0.00100   0.00005   0.01203   0.01218   1.93414
   A98        1.85780  -0.00079  -0.00012  -0.01282  -0.01371   1.84408
   A99        1.90319   0.00253  -0.00009   0.02323   0.02335   1.92654
   A100       1.87539   0.00182  -0.00011   0.02683   0.02668   1.90207
   A101       1.94498  -0.00610  -0.00021  -0.02510  -0.02531   1.91968
   A102       1.98343  -0.00402   0.00012  -0.02244  -0.02228   1.96115
   A103       1.90624   0.00086  -0.00027   0.00578   0.00528   1.91152
   A104       1.81089   0.00413  -0.00007   0.03555   0.03550   1.84639
   A105       1.95046   0.00099   0.00007  -0.00478  -0.00480   1.94567
   A106       1.94124  -0.00040   0.00001  -0.00409  -0.00392   1.93732
   A107       1.86300  -0.00123   0.00011  -0.00652  -0.00662   1.85637
   A108       1.94868   0.00017  -0.00019   0.00425   0.00396   1.95263
   A109       1.91119  -0.00106   0.00002  -0.00392  -0.00410   1.90708
   A110       1.96670  -0.00335   0.00013  -0.02941  -0.02937   1.93733
   A111       1.88052   0.00281  -0.00004   0.02606   0.02596   1.90648
   A112       1.91941   0.00094   0.00008   0.00076   0.00069   1.92010
   A113       1.83183   0.00078   0.00001   0.00478   0.00457   1.83639
   A114       2.14138  -0.00634   0.00017  -0.02477  -0.02463   2.11675
   A115       2.09124  -0.00036   0.00003  -0.00213  -0.00213   2.08911
   A116       2.05056   0.00670  -0.00020   0.02690   0.02676   2.07732
   A117       2.12747  -0.00541   0.00012  -0.02137  -0.02120   2.10627
   A118       2.08980   0.00150  -0.00008   0.00535   0.00524   2.09504
   A119       2.06589   0.00391  -0.00004   0.01602   0.01596   2.08186
   A120       2.09044   0.00070  -0.00003   0.00426   0.00423   2.09467
   A121       2.10489  -0.00175   0.00009  -0.01053  -0.01043   2.09446
   A122       2.08785   0.00106  -0.00007   0.00627   0.00620   2.09406
   A123       2.08408   0.00113  -0.00010   0.00652   0.00637   2.09044
   A124       2.09607   0.00035   0.00005   0.00114   0.00121   2.09728
   A125       2.10304  -0.00148   0.00005  -0.00765  -0.00758   2.09546
   A126       2.10048  -0.00050   0.00008  -0.00373  -0.00371   2.09677
   A127       2.08606   0.00035  -0.00007   0.00300   0.00295   2.08901
   A128       2.09665   0.00015  -0.00001   0.00074   0.00075   2.09740
   A129       2.11333  -0.00261   0.00013  -0.01257  -0.01244   2.10089
   A130       2.04402   0.00547  -0.00022   0.02957   0.02934   2.07336
   A131       2.12583  -0.00285   0.00009  -0.01699  -0.01690   2.10893
   A132       2.15041  -0.00493   0.00003  -0.01908  -0.01909   2.13132
   A133       2.08159  -0.00345   0.00004  -0.02008  -0.02008   2.06151
   A134       2.05108   0.00836  -0.00007   0.03893   0.03881   2.08990
   A135       2.17663   0.01299  -0.00025   0.04841   0.04816   2.22478
   A136       1.98046  -0.02047   0.00062  -0.08099  -0.08037   1.90010
   A137       2.12601   0.00748  -0.00037   0.03262   0.03224   2.15825
   A138       2.12350  -0.01501   0.00034  -0.05716  -0.05681   2.06669
   A139       1.99035  -0.00143  -0.00055  -0.00013  -0.00107   1.98928
   A140       1.88752  -0.01021   0.00051  -0.08756  -0.08750   1.80003
   A141       1.91374  -0.00201   0.00024  -0.01095  -0.01117   1.90257
   A142       1.92534   0.00466   0.00008   0.01616   0.01472   1.94006
   A143       1.87456   0.00703  -0.00021   0.05670   0.05565   1.93021
   A144       1.86872   0.00234  -0.00008   0.02915   0.02716   1.89588
   A145       2.24338  -0.00120  -0.00002  -0.00314  -0.00318   2.24020
   A146       2.18539  -0.00938   0.00043  -0.03931  -0.03890   2.14649
   A147       1.85438   0.01058  -0.00040   0.04242   0.04206   1.89644
   A148       2.03715  -0.00243   0.00009  -0.01183  -0.01189   2.02527
   A149       2.14133   0.00391  -0.00016   0.02125   0.02116   2.16249
   A150       2.10468  -0.00148   0.00007  -0.00942  -0.00927   2.09541
   A151       1.97322  -0.00528   0.00056  -0.02934  -0.02901   1.94421
   A152       1.92885   0.00742  -0.00068   0.04196   0.04130   1.97015
   A153       2.15000  -0.00003   0.00031  -0.00266  -0.00237   2.14763
   A154       2.20433  -0.00738   0.00037  -0.03929  -0.03893   2.16540
   A155       1.63117  -0.01028   0.00043  -0.04321  -0.04246   1.58871
   A156       1.98418  -0.00275  -0.00009  -0.01701  -0.01710   1.96708
   A157       1.98274  -0.00327   0.00023  -0.02402  -0.02372   1.95902
   A158       1.84012   0.00161  -0.00006   0.00869   0.00881   1.84892
   A159       1.92432   0.00405  -0.00010   0.01608   0.01551   1.93983
   A160       1.87347  -0.00047   0.00005   0.00175   0.00161   1.87508
   A161       1.84838   0.00110  -0.00003   0.01830   0.01824   1.86662
   A162       1.95915  -0.00035  -0.00015  -0.00239  -0.00256   1.95659
   A163       1.94125  -0.00045  -0.00010  -0.00014  -0.00033   1.94092
   A164       1.91817   0.00216  -0.00019   0.01777   0.01751   1.93569
   A165       1.90489  -0.00116   0.00020  -0.01599  -0.01583   1.88906
   A166       1.89958  -0.00115   0.00016  -0.00912  -0.00895   1.89063
   A167       1.83639   0.00101   0.00009   0.01032   0.01028   1.84667
   A168       1.93869  -0.00105  -0.00003  -0.00336  -0.00352   1.93517
   A169       1.99180  -0.00482   0.00009  -0.02900  -0.02909   1.96272
   A170       1.96971  -0.00087  -0.00005  -0.00049  -0.00059   1.96912
   A171       1.86903   0.00192   0.00000   0.00413   0.00390   1.87294
   A172       1.81032   0.00299  -0.00003   0.02270   0.02266   1.83299
   A173       1.87252   0.00277   0.00000   0.01136   0.01126   1.88378
   A174       1.87022   0.00692  -0.00045   0.03302   0.03254   1.90276
   A175       2.21296  -0.00055   0.00010   0.00007   0.00017   2.21313
   A176       2.20000  -0.00637   0.00035  -0.03310  -0.03274   2.16726
   A177       1.63198  -0.00937   0.00043  -0.03888  -0.03818   1.59380
    D1        0.89296  -0.00261   0.00010  -0.02558  -0.02531   0.86765
    D2        2.97201  -0.00006  -0.00004   0.00522   0.00513   2.97714
    D3       -1.23755  -0.00058   0.00004  -0.00002  -0.00033  -1.23788
    D4        2.90251  -0.00007   0.00002  -0.00005   0.00028   2.90279
    D5       -1.30163   0.00248  -0.00012   0.03075   0.03072  -1.27091
    D6        0.77199   0.00196  -0.00004   0.02551   0.02526   0.79725
    D7       -1.23722  -0.00062   0.00004  -0.00530  -0.00501  -1.24223
    D8        0.84182   0.00193  -0.00010   0.02550   0.02543   0.86726
    D9        2.91545   0.00142  -0.00002   0.02026   0.01997   2.93542
   D10        0.73144   0.00148  -0.00004   0.01783   0.01792   0.74936
   D11        2.82240   0.00192  -0.00008   0.02430   0.02417   2.84657
   D12       -1.47039   0.00536  -0.00019   0.06023   0.06016  -1.41022
   D13       -1.38521  -0.00115   0.00006  -0.00865  -0.00840  -1.39361
   D14        0.70575  -0.00071   0.00002  -0.00218  -0.00215   0.70361
   D15        2.69616   0.00273  -0.00009   0.03375   0.03384   2.73000
   D16        2.92383  -0.00369   0.00012  -0.03702  -0.03703   2.88680
   D17       -1.26839  -0.00325   0.00008  -0.03055  -0.03078  -1.29917
   D18        0.72201   0.00019  -0.00003   0.00539   0.00521   0.72722
   D19        2.73062  -0.00080   0.00006  -0.01454  -0.01462   2.71600
   D20       -0.39635  -0.00136   0.00008  -0.02438  -0.02434  -0.42069
   D21       -1.41983  -0.00134   0.00002  -0.00618  -0.00610  -1.42593
   D22        1.73638  -0.00190   0.00004  -0.01603  -0.01582   1.72057
   D23        0.57413   0.00239  -0.00009   0.02320   0.02303   0.59716
   D24       -2.55284   0.00183  -0.00007   0.01335   0.01331  -2.53953
   D25       -3.13059  -0.00047   0.00002  -0.00894  -0.00903  -3.13962
   D26       -0.00165  -0.00008   0.00001  -0.00082  -0.00076  -0.00241
   D27        3.12861   0.00048  -0.00001   0.00821   0.00828   3.13689
   D28       -0.00016   0.00005   0.00000  -0.00010  -0.00013  -0.00029
   D29       -3.11908  -0.00027   0.00000  -0.00417  -0.00416  -3.12324
   D30        0.00327   0.00010  -0.00001   0.00168   0.00161   0.00488
   D31        1.79127   0.00148  -0.00006   0.01661   0.01651   1.80779
   D32       -2.33617  -0.00063  -0.00007   0.00285   0.00281  -2.33337
   D33       -0.29912   0.00044   0.00009   0.00599   0.00607  -0.29305
   D34       -1.32942   0.00111  -0.00005   0.01045   0.01038  -1.31904
   D35        0.82632  -0.00100  -0.00006  -0.00331  -0.00333   0.82299
   D36        2.86337   0.00007   0.00010  -0.00017  -0.00006   2.86331
   D37       -0.00319  -0.00008   0.00001  -0.00175  -0.00177  -0.00496
   D38        3.14074   0.00027  -0.00001   0.00398   0.00401  -3.13844
   D39        3.11824   0.00024   0.00000   0.00409   0.00407   3.12231
   D40       -0.02102   0.00058  -0.00002   0.00982   0.00986  -0.01116
   D41       -1.49184   0.00074  -0.00004   0.00696   0.00690  -1.48494
   D42        1.64500  -0.00001  -0.00002  -0.00678  -0.00692   1.63809
   D43        2.68916  -0.00136   0.00005  -0.00713  -0.00693   2.68223
   D44       -0.45718  -0.00211   0.00007  -0.02087  -0.02075  -0.47792
   D45        0.59604   0.00144  -0.00005   0.01578   0.01573   0.61177
   D46       -2.55030   0.00069  -0.00004   0.00204   0.00192  -2.54838
   D47       -0.48423  -0.00065   0.00003  -0.01245  -0.01238  -0.49661
   D48       -2.53047  -0.00283   0.00008  -0.03196  -0.03177  -2.56225
   D49        1.57265   0.00165  -0.00005   0.00885   0.00884   1.58148
   D50        2.66187   0.00005   0.00002   0.00053   0.00047   2.66234
   D51        0.61563  -0.00213   0.00007  -0.01898  -0.01893   0.59670
   D52       -1.56444   0.00234  -0.00007   0.02183   0.02169  -1.54275
   D53       -3.07999  -0.00045   0.00001  -0.00720  -0.00718  -3.08717
   D54        0.05656  -0.00109   0.00004  -0.01862  -0.01859   0.03797
   D55        0.05682  -0.00120   0.00002  -0.02101  -0.02098   0.03584
   D56       -3.08981  -0.00185   0.00006  -0.03243  -0.03240  -3.12221
   D57        3.14014  -0.00197   0.00008  -0.03729  -0.03728   3.10287
   D58        0.02357   0.00075  -0.00004   0.01584   0.01584   0.03941
   D59       -0.00652  -0.00261   0.00011  -0.04874  -0.04867  -0.05519
   D60       -3.12309   0.00011  -0.00001   0.00439   0.00445  -3.11864
   D61       -1.72226   0.00056  -0.00004   0.00333   0.00326  -1.71900
   D62        2.40805   0.00028  -0.00005   0.00630   0.00623   2.41427
   D63        0.34773  -0.00031   0.00005  -0.00395  -0.00399   0.34374
   D64        1.39570  -0.00199   0.00008  -0.04674  -0.04660   1.34910
   D65       -0.75718  -0.00227   0.00007  -0.04377  -0.04363  -0.80081
   D66       -2.81749  -0.00286   0.00016  -0.05403  -0.05385  -2.87134
   D67       -0.12002  -0.00121   0.00019  -0.03559  -0.03541  -0.15542
   D68        3.01701  -0.00255   0.00019  -0.05970  -0.05949   2.95752
   D69        1.98782  -0.00218  -0.00007  -0.03656  -0.03664   1.95118
   D70       -1.15834  -0.00351  -0.00007  -0.06067  -0.06073  -1.21907
   D71       -2.13196  -0.00240   0.00006  -0.04374  -0.04370  -2.17566
   D72        1.00506  -0.00373   0.00006  -0.06786  -0.06778   0.93728
   D73        1.05629  -0.00122   0.00000  -0.00293  -0.00311   1.05318
   D74       -3.00730  -0.00084  -0.00002  -0.01654  -0.01641  -3.02371
   D75       -0.99108  -0.00020   0.00002  -0.00145  -0.00141  -0.99249
   D76       -1.04408  -0.00053   0.00003   0.00272   0.00257  -1.04151
   D77        1.17551  -0.00015   0.00001  -0.01088  -0.01072   1.16478
   D78       -3.09145   0.00049   0.00005   0.00420   0.00427  -3.08718
   D79        3.06811   0.00048  -0.00009   0.01609   0.01582   3.08393
   D80       -0.99549   0.00086  -0.00011   0.00248   0.00253  -0.99296
   D81        1.02073   0.00150  -0.00007   0.01757   0.01753   1.03826
   D82        3.13949   0.00007   0.00006   0.00034   0.00037   3.13986
   D83       -0.00227   0.00030   0.00002   0.00527   0.00538   0.00310
   D84       -0.00654  -0.00123   0.00006  -0.02308  -0.02310  -0.02964
   D85        3.13489  -0.00100   0.00001  -0.01815  -0.01809   3.11679
   D86        2.03108   0.00163  -0.00003   0.01670   0.01636   2.04745
   D87       -1.99160  -0.00281   0.00002  -0.04253  -0.04228  -2.03388
   D88        0.07331  -0.00166   0.00003  -0.02267  -0.02269   0.05062
   D89       -1.11034   0.00140   0.00001   0.01171   0.01150  -1.09884
   D90        1.15017  -0.00304   0.00006  -0.04753  -0.04714   1.10303
   D91       -3.06811  -0.00189   0.00008  -0.02766  -0.02755  -3.09566
   D92        1.00702  -0.00302   0.00010  -0.03309  -0.03301   0.97401
   D93       -1.12706  -0.00323   0.00017  -0.03416  -0.03403  -1.16109
   D94        3.12813  -0.00176   0.00002  -0.01849  -0.01853   3.10960
   D95       -1.29072   0.00308  -0.00012   0.03787   0.03782  -1.25290
   D96        2.85838   0.00287  -0.00005   0.03680   0.03680   2.89518
   D97        0.83039   0.00434  -0.00020   0.05248   0.05230   0.88269
   D98        2.99506  -0.00045   0.00001  -0.00374  -0.00371   2.99135
   D99        0.86098  -0.00067   0.00008  -0.00481  -0.00474   0.85624
   D100      -1.16702   0.00081  -0.00007   0.01087   0.01076  -1.15625
   D101       1.05372   0.00053   0.00004   0.01272   0.01238   1.06610
   D102      -1.13131   0.00195  -0.00001   0.02565   0.02533  -1.10599
   D103      -3.12635   0.00135  -0.00002   0.01816   0.01792  -3.10844
   D104      -2.97384  -0.00364   0.00009  -0.04707  -0.04684  -3.02069
   D105       1.12431  -0.00222   0.00004  -0.03414  -0.03390   1.09041
   D106      -0.87073  -0.00282   0.00003  -0.04163  -0.04131  -0.91204
   D107      -1.00888  -0.00005   0.00001  -0.00160  -0.00158  -1.01045
   D108       3.08928   0.00137  -0.00004   0.01133   0.01137   3.10064
   D109       1.09424   0.00078  -0.00005   0.00384   0.00396   1.09819
   D110      -1.62973   0.00060  -0.00001   0.00806   0.00809  -1.62165
   D111       1.49456   0.00088  -0.00003   0.01221   0.01217   1.50673
   D112       0.50547  -0.00120   0.00001  -0.00645  -0.00652   0.49895
   D113      -2.65342  -0.00092  -0.00001  -0.00230  -0.00243  -2.65585
   D114       2.52275   0.00095   0.00001   0.00652   0.00663   2.52939
   D115      -0.63614   0.00123  -0.00001   0.01067   0.01072  -0.62542
   D116       3.12364   0.00020  -0.00001   0.00376   0.00377   3.12741
   D117      -0.02252   0.00015  -0.00001   0.00289   0.00291  -0.01961
   D118      -0.00139   0.00004   0.00001   0.00016   0.00015  -0.00124
   D119       3.13564  -0.00002   0.00001  -0.00071  -0.00071   3.13493
   D120      -3.12271  -0.00025   0.00001  -0.00409  -0.00407  -3.12678
   D121       0.02466  -0.00006   0.00000  -0.00111  -0.00114   0.02352
   D122       0.00197  -0.00004  -0.00001  -0.00027  -0.00026   0.00171
   D123      -3.13385   0.00015  -0.00001   0.00271   0.00267  -3.13117
   D124      -0.00005  -0.00004   0.00000  -0.00036  -0.00035  -0.00040
   D125       3.14103  -0.00010   0.00000  -0.00135  -0.00134   3.13969
   D126      -3.13710   0.00002   0.00000   0.00053   0.00053  -3.13657
   D127       0.00399  -0.00004   0.00000  -0.00047  -0.00046   0.00353
   D128       0.00096   0.00004   0.00000   0.00063   0.00063   0.00158
   D129       3.14018  -0.00005   0.00000  -0.00088  -0.00089   3.13929
   D130      -3.14013   0.00009  -0.00001   0.00162   0.00163  -3.13851
   D131      -0.00091   0.00000   0.00000   0.00011   0.00010  -0.00081
   D132      -0.00038  -0.00004   0.00000  -0.00073  -0.00073  -0.00111
   D133      -3.13935  -0.00018   0.00001  -0.00302  -0.00303   3.14080
   D134      -3.13956   0.00005   0.00000   0.00078   0.00078  -3.13878
   D135       0.00466  -0.00009   0.00000  -0.00151  -0.00152   0.00314
   D136      -0.00112   0.00005   0.00000   0.00057   0.00057  -0.00055
   D137       3.13489  -0.00015   0.00001  -0.00240  -0.00241   3.13248
   D138       3.13781   0.00020  -0.00001   0.00293   0.00291   3.14072
   D139      -0.00936   0.00000   0.00000  -0.00004  -0.00007  -0.00944
   D140      -1.04292  -0.00291   0.00000  -0.03814  -0.03803  -1.08095
   D141      -3.12401   0.00109  -0.00002   0.01047   0.01020  -3.11381
   D142       1.06862  -0.00214   0.00010  -0.02799  -0.02800   1.04062
   D143       1.13971  -0.00344   0.00000  -0.04622  -0.04602   1.09369
   D144      -0.94138   0.00055  -0.00003   0.00240   0.00220  -0.93918
   D145      -3.03193  -0.00267   0.00010  -0.03606  -0.03600  -3.06793
   D146       3.11748  -0.00092  -0.00004  -0.02362  -0.02336   3.09411
   D147       1.03638   0.00308  -0.00006   0.02499   0.02486   1.06124
   D148      -1.05417  -0.00015   0.00007  -0.01347  -0.01334  -1.06751
   D149       2.39853   0.00010   0.00009   0.00041   0.00007   2.39860
   D150      -1.74226  -0.00279   0.00015  -0.03966  -0.03919  -1.78145
   D151       0.27601   0.00016  -0.00009  -0.00362  -0.00360   0.27241
   D152      -0.87551  -0.00346   0.00008  -0.04332  -0.04319  -0.91870
   D153      -3.06634  -0.00247   0.00011  -0.02493  -0.02477  -3.09111
   D154       1.23517  -0.00344   0.00012  -0.03724  -0.03730   1.19787
   D155      -3.00438   0.00265  -0.00016   0.01980   0.01970  -2.98468
   D156       1.08798   0.00364  -0.00013   0.03818   0.03812   1.12610
   D157      -0.89370   0.00267  -0.00013   0.02587   0.02559  -0.86811
   D158       1.24189  -0.00077   0.00005  -0.01376  -0.01361   1.22829
   D159      -0.94894   0.00022   0.00008   0.00462   0.00482  -0.94412
   D160      -2.93061  -0.00074   0.00009  -0.00769  -0.00772  -2.93833
   D161       3.10254  -0.00042   0.00015  -0.00770  -0.00753   3.09502
   D162      -1.09950   0.00250   0.00000   0.02487   0.02478  -1.07472
   D163       0.93222   0.00076   0.00010   0.01053   0.01061   0.94283
   D164      -1.01355  -0.00160  -0.00006  -0.02126  -0.02120  -1.03475
   D165       1.06759   0.00131  -0.00021   0.01130   0.01111   1.07870
   D166       3.09931  -0.00042  -0.00011  -0.00303  -0.00307   3.09625
   D167       1.06668  -0.00277   0.00014  -0.03547  -0.03531   1.03137
   D168      -3.13536   0.00014  -0.00001  -0.00290  -0.00300  -3.13837
   D169      -1.10364  -0.00159   0.00009  -0.01723  -0.01718  -1.12082
   D170       1.15470  -0.00254  -0.00001  -0.01692  -0.01703   1.13767
   D171      -2.00301  -0.00338   0.00007  -0.03405  -0.03385  -2.03686
   D172      -1.05507   0.00132  -0.00002   0.01141   0.01134  -1.04372
   D173       2.07041   0.00048   0.00006  -0.00572  -0.00548   2.06493
   D174       3.10218   0.00202  -0.00015   0.02360   0.02326   3.12544
   D175      -0.05553   0.00118  -0.00007   0.00647   0.00644  -0.04909
   D176       1.62331   0.00161  -0.00008   0.02109   0.02110   1.64441
   D177      -1.51969   0.00160  -0.00008   0.02084   0.02085  -1.49884
   D178      -0.47591   0.00100   0.00003   0.00652   0.00652  -0.46939
   D179       2.66427   0.00099   0.00004   0.00627   0.00628   2.67054
   D180      -2.46328  -0.00191   0.00000  -0.01355  -0.01361  -2.47688
   D181       0.67690  -0.00192   0.00001  -0.01380  -0.01385   0.66305
   D182      -3.14142  -0.00003   0.00000  -0.00045  -0.00045   3.14132
   D183       0.00762  -0.00009   0.00000  -0.00122  -0.00122   0.00640
   D184       0.00156  -0.00002   0.00000  -0.00018  -0.00018   0.00137
   D185      -3.13259  -0.00007   0.00000  -0.00096  -0.00096  -3.13355
   D186      -3.14096   0.00003   0.00000   0.00034   0.00035  -3.14062
   D187      -0.00076   0.00003   0.00000   0.00039   0.00039  -0.00037
   D188      -0.00071   0.00001   0.00000   0.00006   0.00007  -0.00064
   D189       3.13949   0.00001   0.00000   0.00011   0.00011   3.13960
   D190      -0.00126   0.00003   0.00000   0.00038   0.00038  -0.00088
   D191      -3.13999  -0.00001   0.00000  -0.00018  -0.00018  -3.14017
   D192       3.13299   0.00007   0.00000   0.00111   0.00111   3.13410
   D193      -0.00574   0.00003   0.00000   0.00054   0.00054  -0.00520
   D194       0.00008  -0.00003   0.00000  -0.00044  -0.00044  -0.00036
   D195      -3.14070   0.00001   0.00000   0.00015   0.00015  -3.14055
   D196       3.13883   0.00001   0.00000   0.00010   0.00010   3.13894
   D197      -0.00194   0.00004   0.00000   0.00068   0.00069  -0.00126
   D198       0.00074   0.00002   0.00000   0.00034   0.00034   0.00108
   D199      -3.13984   0.00002   0.00000   0.00039   0.00039  -3.13945
   D200       3.14152  -0.00001   0.00000  -0.00024  -0.00024   3.14128
   D201       0.00094  -0.00001   0.00000  -0.00019  -0.00019   0.00075
   D202      -0.00042  -0.00001   0.00000  -0.00016  -0.00016  -0.00058
   D203      -3.14055  -0.00002   0.00000  -0.00025  -0.00024  -3.14080
   D204       3.14015  -0.00001   0.00000  -0.00021  -0.00021   3.13995
   D205       0.00002  -0.00002   0.00000  -0.00030  -0.00029  -0.00027
   D206      -0.00473  -0.00116   0.00004  -0.02091  -0.02104  -0.02577
   D207       3.12319  -0.00094   0.00010  -0.01816  -0.01822   3.10497
   D208      -3.13047  -0.00023  -0.00004  -0.00355  -0.00343  -3.13390
   D209      -0.00255  -0.00002   0.00002  -0.00081  -0.00061  -0.00316
   D210       3.12075  -0.00224   0.00008  -0.03678  -0.03669   3.08406
   D211      -0.03408  -0.00198   0.00014  -0.03394  -0.03381  -0.06789
   D212      -1.15261  -0.00596   0.00042  -0.08810  -0.08685  -1.23945
   D213       2.98193  -0.00337   0.00033  -0.04352  -0.04349   2.93844
   D214       0.94993   0.00067  -0.00004  -0.02317  -0.02375   0.92617
   D215      -0.14731   0.00365  -0.00009   0.03177   0.03193  -0.11538
   D216       3.00499   0.00372  -0.00013   0.03406   0.03415   3.03914
   D217       1.98064  -0.00720   0.00024  -0.07056  -0.07096   1.90967
   D218      -1.15025  -0.00713   0.00020  -0.06827  -0.06875  -1.21900
   D219      -2.27162   0.00208   0.00007   0.00505   0.00556  -2.26606
   D220       0.88068   0.00214   0.00003   0.00734   0.00778   0.88845
   D221      -3.13304   0.00033  -0.00003   0.00539   0.00541  -3.12763
   D222       0.00047   0.00044  -0.00001   0.00647   0.00651   0.00698
   D223      -0.00056   0.00019   0.00000   0.00307   0.00308   0.00253
   D224       3.13295   0.00029   0.00002   0.00416   0.00418   3.13713
   D225       3.13445  -0.00031   0.00002  -0.00536  -0.00531   3.12914
   D226       0.00158  -0.00022  -0.00001  -0.00336  -0.00334  -0.00176
   D227      -0.00122  -0.00005   0.00001  -0.00086  -0.00083  -0.00205
   D228      -3.13491  -0.00017  -0.00001  -0.00207  -0.00203  -3.13694
   D229       0.00239  -0.00012  -0.00001  -0.00179  -0.00182   0.00057
   D230      -3.14110   0.00010  -0.00001   0.00159   0.00161  -3.13949
   D231      -0.00234   0.00020   0.00001   0.00309   0.00306   0.00072
   D232       3.14122  -0.00003   0.00000  -0.00048  -0.00045   3.14076
   D233       0.13640  -0.00043   0.00004  -0.00311  -0.00315   0.13324
   D234       2.27642  -0.00252   0.00012  -0.02572  -0.02569   2.25073
   D235      -1.98028  -0.00024   0.00007  -0.00231  -0.00228  -1.98256
   D236      -2.11327   0.00283  -0.00011   0.03004   0.02997  -2.08329
   D237       0.02675   0.00074  -0.00003   0.00743   0.00744   0.03419
   D238       2.05324   0.00302  -0.00008   0.03083   0.03085   2.08409
   D239       2.16431  -0.00031  -0.00005  -0.00089  -0.00094   2.16337
   D240      -1.97886  -0.00239   0.00003  -0.02350  -0.02348  -2.00233
   D241       0.04763  -0.00011  -0.00002  -0.00009  -0.00007   0.04757
   D242       2.68956   0.00303  -0.00004   0.03370   0.03361   2.72317
   D243      -1.47875   0.00128   0.00001   0.01566   0.01571  -1.46304
   D244       0.66496   0.00052   0.00004   0.00769   0.00775   0.67271
   D245      -1.34318   0.00005  -0.00006   0.00436   0.00411  -1.33907
   D246       0.77169  -0.00170  -0.00001  -0.01368  -0.01379   0.75791
   D247       2.91540  -0.00247   0.00001  -0.02165  -0.02175   2.89366
   D248       0.67823   0.00210  -0.00007   0.02440   0.02439   0.70262
   D249       2.79310   0.00035  -0.00002   0.00635   0.00650   2.79960
   D250      -1.34637  -0.00041   0.00001  -0.00162  -0.00146  -1.34783
   D251       0.00182   0.00002   0.00000   0.00102   0.00105   0.00287
   D252       3.14110  -0.00031   0.00001  -0.00461  -0.00449   3.13660
         Item               Value     Threshold  Converged?
 Maximum Force            0.030626     0.000450     NO 
 RMS     Force            0.005027     0.000300     NO 
 Maximum Displacement     1.223515     0.001800     NO 
 RMS     Displacement     0.186972     0.001200     NO 
 Predicted change in Energy=-2.600036D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.843783   -2.301178    1.963521
      2          6           0       -9.520377   -1.526155    0.684890
      3          6           0      -10.352455   -0.228206    0.589590
      4          6           0       -8.067023   -1.156250    0.619385
      5          7           0       -7.417770   -0.916105   -0.519062
      6          6           0       -6.080374   -0.597903   -0.289816
      7          6           0       -5.186447   -0.269201   -1.464213
      8          7           0       -4.963462    1.191712   -1.543698
      9          6           0       -5.974977    2.006956   -2.256726
     10          6           0       -3.868943    1.856789   -0.970191
     11          8           0       -3.776742    3.082168   -1.027082
     12          7           0       -2.892021    1.091906   -0.312534
     13          6           0       -1.709774    1.784345    0.251026
     14          6           0       -0.550801    1.635552   -0.754067
     15          8           0       -0.614836    0.905093   -1.734562
     16          7           0        0.586392    2.402951   -0.525029
     17          6           0        1.751511    2.337905   -1.419054
     18          6           0        2.003202    3.714014   -2.091339
     19          6           0        2.170524    4.832063   -1.098826
     20          6           0        1.055057    5.599539   -0.711328
     21          6           0        1.193582    6.628485    0.221171
     22          6           0        2.451829    6.904886    0.780930
     23          6           0        3.560636    6.147504    0.398614
     24          6           0        3.422000    5.117992   -0.535178
     25          6           0        3.026242    1.807076   -0.741457
     26          6           0        2.900680    0.384550   -0.203436
     27          8           0        1.880326    0.358964    0.803034
     28          6           0        4.222704   -0.096224    0.517060
     29          6           0        5.465299    0.081547   -0.364154
     30          6           0        6.723395   -0.318602    0.354376
     31          6           0        7.253055   -1.606684    0.228547
     32          6           0        8.424259   -1.965315    0.902344
     33          6           0        9.078455   -1.033352    1.710337
     34          6           0        8.555600    0.264471    1.842684
     35          6           0        7.390110    0.619253    1.172482
     36          7           0        4.064130   -1.507283    0.955896
     37          6           0        3.918362   -2.540828    0.058389
     38          8           0        3.872653   -2.466282   -1.157373
     39          8           0        3.840730   -3.732200    0.756879
     40          6           0        3.614047   -4.938957    0.021828
     41          6           0        2.246133   -5.057875   -0.532659
     42          6           0        1.154785   -4.223736   -0.322084
     43          7           0       -0.021326   -4.587256   -0.960367
     44          6           0        0.136716   -5.696679   -1.671597
     45         16           0        1.765454   -6.341582   -1.576668
     46          6           0       -1.386258    1.182018    1.648583
     47          6           0       -1.064628   -0.324035    1.587322
     48          6           0       -0.282265    1.951858    2.367933
     49          6           0       -5.678350   -0.594571    1.034351
     50         16           0       -7.020679   -0.995611    2.027864
     51          1           0      -10.930404   -2.416702    2.076481
     52          1           0       -9.444263   -3.324350    1.919106
     53          1           0       -9.461962   -1.814071    2.864459
     54          1           0       -9.730371   -2.142739   -0.228262
     55          1           0      -10.399882    0.297178    1.543030
     56          1           0       -9.915851    0.464105   -0.151888
     57          1           0      -11.359257   -0.440906    0.220287
     58          1           0       -4.229537   -0.822459   -1.356677
     59          1           0       -5.671775   -0.625314   -2.405668
     60          1           0       -6.474131    1.408315   -3.040844
     61          1           0       -5.482897    2.860814   -2.755631
     62          1           0       -6.751721    2.355273   -1.556889
     63          1           0       -2.915773    0.080374   -0.256761
     64          1           0       -1.997393    2.873723    0.356033
     65          1           0        0.640804    3.031474    0.278215
     66          1           0        1.482567    1.626121   -2.275984
     67          1           0        1.155795    3.934178   -2.771820
     68          1           0        2.904942    3.648141   -2.733769
     69          1           0        0.076312    5.391182   -1.147382
     70          1           0        0.326274    7.217538    0.513339
     71          1           0        2.554274    7.709023    1.505276
     72          1           0        4.534487    6.362361    0.831659
     73          1           0        4.301684    4.547552   -0.823634
     74          1           0        3.345651    2.494500    0.071286
     75          1           0        3.853777    1.828958   -1.486351
     76          1           0        2.652909   -0.334559   -1.030145
     77          1           0        1.320319   -0.438779    0.692599
     78          1           0        4.302070    0.521875    1.457138
     79          1           0        5.354593   -0.541393   -1.289911
     80          1           0        5.550165    1.123969   -0.724091
     81          1           0        6.754694   -2.343459   -0.406302
     82          1           0        8.827026   -2.969227    0.795618
     83          1           0        9.989960   -1.309345    2.234671
     84          1           0        9.068335    0.991328    2.472004
     85          1           0        6.975219    1.622363    1.266390
     86          1           0        4.094539   -1.706571    1.958931
     87          1           0        3.811485   -5.728180    0.768213
     88          1           0        4.377781   -5.018463   -0.793338
     89          1           0        1.182525   -3.333799    0.304947
     90          1           0       -0.659007   -6.146112   -2.245848
     91          1           0       -2.324646    1.302426    2.262399
     92          1           0       -0.987041   -0.687037    0.557772
     93          1           0       -0.123335   -0.549943    2.102695
     94          1           0       -1.834537   -0.909467    2.101878
     95          1           0       -0.352277    1.812149    3.455755
     96          1           0        0.722752    1.629801    2.060835
     97          1           0       -0.350889    3.037420    2.215315
     98          1           0       -4.699391   -0.373899    1.406709
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0606615      0.0266212      0.0201249
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3501.3892764658 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.220133394938     A.U. after   20 cycles
             Convg  =    0.7145D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000054706    0.008441198   -0.002648211
      2        6           0.000147059   -0.011715741   -0.002746669
      3        6          -0.006438217    0.005032072   -0.003340636
      4        6          -0.005248713    0.007772713   -0.010987596
      5        7           0.013170724    0.002326883    0.009766266
      6        6          -0.012607443   -0.013998076    0.005485951
      7        6           0.008240967   -0.002728799    0.001296484
      8        7          -0.005755621    0.006452845    0.001083337
      9        6           0.000560165    0.005642742    0.001522143
     10        6           0.002955317   -0.001943828   -0.004874343
     11        8          -0.000484936   -0.000202249   -0.000075165
     12        7           0.003000320   -0.005826299    0.007629623
     13        6           0.001276405    0.003486522    0.002220541
     14        6          -0.003390252    0.005472521   -0.002875200
     15        8          -0.000483231   -0.000791508    0.003338470
     16        7           0.008706857   -0.007687781   -0.000197856
     17        6          -0.004303538    0.014446395   -0.009814392
     18        6          -0.001499559   -0.006789465    0.003592409
     19        6           0.003142320   -0.001983224    0.000330784
     20        6          -0.000741102    0.001160924   -0.000142897
     21        6          -0.004289685   -0.001340302    0.000920776
     22        6           0.004424766    0.002449196   -0.001095438
     23        6           0.002053827   -0.001945325    0.000080187
     24        6          -0.002110371    0.001763192   -0.000464164
     25        6          -0.000471757   -0.007173985    0.002197835
     26        6          -0.011026394    0.009193521    0.000878322
     27        8          -0.003032640   -0.001913119    0.001731948
     28        6           0.010988309   -0.004793000   -0.002415576
     29        6          -0.004775478    0.006438981    0.001261496
     30        6          -0.002363658   -0.007723365    0.001693219
     31        6           0.001326914    0.005437146   -0.001352222
     32        6          -0.000543532   -0.003193808    0.000190804
     33        6           0.001956928   -0.001976706   -0.001416148
     34        6          -0.003953213    0.001283074    0.003001738
     35        6           0.005129398    0.004440333   -0.003208957
     36        7           0.005257740   -0.003852691    0.006016852
     37        6          -0.004811082    0.003710753   -0.018300422
     38        8           0.000051074   -0.000918902    0.004334395
     39        8           0.004652394   -0.007488897    0.012050355
     40        6          -0.008012783    0.020488809   -0.008019214
     41        6           0.016803860   -0.010741861   -0.002877222
     42        6          -0.019609562   -0.008912385    0.007189786
     43        7           0.000452281    0.015569402   -0.001179032
     44        6           0.010036517   -0.010463928   -0.001990271
     45       16          -0.004032220    0.004242299    0.000218149
     46        6           0.003724848    0.001974191    0.003559567
     47        6           0.003276084   -0.003938694   -0.000612916
     48        6           0.004197960   -0.005709314   -0.000761197
     49        6           0.000223780    0.008679653   -0.011044801
     50       16           0.002276925   -0.001844523    0.004134215
     51        1           0.000524243   -0.001686636    0.000193426
     52        1          -0.001072466   -0.002309180    0.000274582
     53        1           0.001502068   -0.000259306    0.000928852
     54        1           0.002106230    0.002593043    0.002668913
     55        1           0.001915645   -0.000706988    0.000654051
     56        1           0.000386456   -0.000596407    0.002040920
     57        1           0.002427054   -0.001102623    0.002880870
     58        1          -0.002661619    0.000895141   -0.001809623
     59        1          -0.001465304    0.000466111   -0.001186556
     60        1          -0.000621764   -0.001017255    0.000825613
     61        1           0.001646051   -0.002904845    0.000218549
     62        1          -0.000063274   -0.002183141   -0.001426023
     63        1          -0.002628427    0.001542978   -0.003551505
     64        1          -0.003678137   -0.002155800   -0.000074966
     65        1          -0.003842979    0.001898298    0.000163819
     66        1           0.000185071   -0.003418753    0.003401336
     67        1           0.000133729    0.000863433   -0.000963147
     68        1           0.001042853    0.001523105   -0.000833658
     69        1          -0.000486062   -0.000320392    0.000194148
     70        1           0.000077510   -0.000192177   -0.000070567
     71        1          -0.000422055   -0.000142349    0.000122000
     72        1          -0.000993205   -0.000219336    0.000025918
     73        1           0.000049619    0.001127422   -0.000397192
     74        1           0.002371907    0.000945105    0.000518503
     75        1           0.001256393   -0.000512389   -0.000152387
     76        1           0.002667223   -0.002826293    0.000672603
     77        1           0.001116209   -0.000219209   -0.000632685
     78        1          -0.003160754    0.000924590    0.000457154
     79        1           0.001378845   -0.001342394   -0.000346003
     80        1           0.001169833   -0.000655539   -0.000743813
     81        1           0.000273617   -0.001221275   -0.000124383
     82        1          -0.000358913    0.000841590    0.000317259
     83        1          -0.000017608   -0.000348979   -0.000039506
     84        1           0.000080708    0.000449550   -0.000058878
     85        1          -0.001497030   -0.000807964    0.001092468
     86        1          -0.001076803   -0.000099707   -0.002579218
     87        1          -0.000232594   -0.004131974    0.005149865
     88        1           0.001684928   -0.002493109    0.000168001
     89        1           0.001619958    0.002271752   -0.000825671
     90        1          -0.001389194    0.003446342    0.000164348
     91        1          -0.001088366    0.000793498   -0.001540645
     92        1          -0.001253112    0.001402873    0.000588950
     93        1          -0.001499570    0.000758920   -0.000516799
     94        1          -0.000129246    0.001411303   -0.000852717
     95        1          -0.001538990    0.001766306    0.000288545
     96        1          -0.001835945    0.000381698   -0.000289785
     97        1          -0.000275460    0.001533917   -0.000089737
     98        1          -0.000430726   -0.002270544    0.001809671
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.020488809 RMS     0.004595048

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.011909514 RMS     0.001901318
 Search for a local minimum.
 Step number   4 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    3    4
 DE= -2.74D-02 DEPred=-2.60D-02 R= 1.05D+00
 SS=  1.41D+00  RLast= 4.92D-01 DXNew= 8.4853D-01 1.4747D+00
 Trust test= 1.05D+00 RLast= 4.92D-01 DXMaxT set to 8.49D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00315   0.00323   0.00400   0.00486   0.00585
     Eigenvalues ---    0.00623   0.00640   0.00664   0.00799   0.00847
     Eigenvalues ---    0.00860   0.00902   0.00908   0.00925   0.00936
     Eigenvalues ---    0.01032   0.01033   0.01059   0.01082   0.01124
     Eigenvalues ---    0.01219   0.01223   0.01239   0.01254   0.01361
     Eigenvalues ---    0.01372   0.01412   0.01445   0.01460   0.01477
     Eigenvalues ---    0.01492   0.01560   0.01593   0.01599   0.01635
     Eigenvalues ---    0.01744   0.01777   0.01922   0.01971   0.01976
     Eigenvalues ---    0.01985   0.02073   0.02135   0.02193   0.02194
     Eigenvalues ---    0.02203   0.02220   0.02257   0.02271   0.02291
     Eigenvalues ---    0.02331   0.02375   0.02406   0.02408   0.02413
     Eigenvalues ---    0.02448   0.02482   0.02485   0.02527   0.02528
     Eigenvalues ---    0.02630   0.02698   0.02738   0.03597   0.03812
     Eigenvalues ---    0.04049   0.04140   0.04184   0.04285   0.04486
     Eigenvalues ---    0.04498   0.04803   0.04822   0.04932   0.05102
     Eigenvalues ---    0.05211   0.05217   0.05298   0.05303   0.05309
     Eigenvalues ---    0.05379   0.05434   0.05478   0.05530   0.05544
     Eigenvalues ---    0.05609   0.05710   0.05732   0.05776   0.05840
     Eigenvalues ---    0.05963   0.05986   0.06091   0.06194   0.06277
     Eigenvalues ---    0.06638   0.06794   0.07051   0.07302   0.07465
     Eigenvalues ---    0.07630   0.08898   0.09490   0.09602   0.09669
     Eigenvalues ---    0.12071   0.12546   0.12904   0.12970   0.13077
     Eigenvalues ---    0.14273   0.14986   0.15965   0.15995   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16080   0.16208   0.16411   0.16618
     Eigenvalues ---    0.17096   0.17270   0.17282   0.17364   0.17595
     Eigenvalues ---    0.17813   0.18141   0.18252   0.18849   0.19388
     Eigenvalues ---    0.21226   0.21877   0.21919   0.21952   0.21994
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22003   0.22005
     Eigenvalues ---    0.22059   0.22197   0.22535   0.23437   0.23479
     Eigenvalues ---    0.23651   0.23741   0.24286   0.24992   0.24995
     Eigenvalues ---    0.24996   0.24998   0.24998   0.24998   0.24998
     Eigenvalues ---    0.24999   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25082   0.25842   0.28990   0.29301   0.29631
     Eigenvalues ---    0.29752   0.29850   0.29903   0.30115   0.30243
     Eigenvalues ---    0.30380   0.30720   0.31070   0.31154   0.31340
     Eigenvalues ---    0.31426   0.31435   0.31505   0.31527   0.31577
     Eigenvalues ---    0.31697   0.31984   0.32177   0.32396   0.32446
     Eigenvalues ---    0.32569   0.32733   0.32778   0.32811   0.32820
     Eigenvalues ---    0.32931   0.33004   0.33062   0.33089   0.33115
     Eigenvalues ---    0.33172   0.33209   0.33302   0.33465   0.33535
     Eigenvalues ---    0.33577   0.33650   0.33690   0.33722   0.33885
     Eigenvalues ---    0.33980   0.33994   0.34074   0.34202   0.34229
     Eigenvalues ---    0.34290   0.34335   0.34354   0.34422   0.34458
     Eigenvalues ---    0.34508   0.34663   0.34726   0.34761   0.35829
     Eigenvalues ---    0.36081   0.36251   0.36312   0.36377   0.36630
     Eigenvalues ---    0.36846   0.36956   0.37607   0.38534   0.39293
     Eigenvalues ---    0.39427   0.41524   0.41813   0.42545   0.42663
     Eigenvalues ---    0.42966   0.43124   0.43396   0.44039   0.44331
     Eigenvalues ---    0.44931   0.45141   0.46305   0.47565   0.48306
     Eigenvalues ---    0.48375   0.48520   0.48623   0.49059   0.49527
     Eigenvalues ---    0.49877   0.50444   0.50943   0.51225   0.51411
     Eigenvalues ---    0.56871   0.58254   0.59023   0.62850   0.65290
     Eigenvalues ---    0.75841   0.77914   0.840851000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-1.17818966D-02 EMin= 3.14672914D-03
 Quartic linear search produced a step of  0.36208.
 Iteration  1 RMS(Cart)=  0.32353947 RMS(Int)=  0.01079754
 Iteration  2 RMS(Cart)=  0.10844897 RMS(Int)=  0.00097196
 Iteration  3 RMS(Cart)=  0.00302015 RMS(Int)=  0.00025685
 Iteration  4 RMS(Cart)=  0.00000391 RMS(Int)=  0.00025685
 Iteration  5 RMS(Cart)=  0.00000001 RMS(Int)=  0.00025685
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89082  -0.00098  -0.00252   0.00018  -0.00234   2.88848
    R2        2.07599  -0.00002  -0.00240   0.00100  -0.00139   2.07460
    R3        2.07738  -0.00073  -0.00572  -0.00054  -0.00626   2.07112
    R4        2.06556   0.00051  -0.00600   0.00437  -0.00163   2.06393
    R5        2.91907  -0.00363  -0.00736  -0.00925  -0.01661   2.90245
    R6        2.83670   0.00045  -0.00688   0.00563  -0.00125   2.83545
    R7        2.11963   0.00128   0.00165   0.00480   0.00645   2.12608
    R8        2.05913   0.00149  -0.00233   0.00642   0.00409   2.06322
    R9        2.08702  -0.00184  -0.00684  -0.00454  -0.01138   2.07564
   R10        2.06601   0.00068  -0.00117   0.00304   0.00187   2.06788
   R11        2.51785  -0.01003  -0.01027  -0.01472  -0.02502   2.49283
   R12        3.32959   0.00211   0.00546   0.00695   0.01244   3.34204
   R13        2.63374   0.01092   0.01061   0.02099   0.03156   2.66529
   R14        2.85740  -0.00051  -0.01835   0.00816  -0.01019   2.84721
   R15        2.61510  -0.00910  -0.01524  -0.01289  -0.02815   2.58696
   R16        2.79674  -0.00360  -0.00493  -0.00488  -0.00981   2.78693
   R17        2.09865   0.00183   0.00186   0.00651   0.00837   2.10701
   R18        2.11168   0.00073   0.00028   0.00330   0.00358   2.11526
   R19        2.80049   0.00021  -0.00199   0.00274   0.00075   2.80124
   R20        2.65182   0.00176   0.00212   0.00372   0.00584   2.65767
   R21        2.08929  -0.00129  -0.00429  -0.00339  -0.00768   2.08161
   R22        2.08737   0.00070  -0.00088   0.00303   0.00215   2.08952
   R23        2.08250   0.00033   0.00037   0.00126   0.00163   2.08413
   R24        2.32467   0.00013  -0.00240  -0.00091  -0.00331   2.32136
   R25        2.65366   0.00403   0.00516   0.00835   0.01351   2.66716
   R26        2.79959  -0.00182  -0.01250   0.00100  -0.01150   2.78809
   R27        1.91495  -0.00052  -0.00577   0.00043  -0.00534   1.90961
   R28        2.91261   0.00357   0.00410   0.01385   0.01795   2.93056
   R29        2.94010  -0.00075  -0.00740   0.00526  -0.00214   2.93796
   R30        2.13840  -0.00018   0.00377  -0.00088   0.00288   2.14128
   R31        2.31369  -0.00164  -0.00274  -0.00242  -0.00516   2.30853
   R32        2.62840   0.00196   0.00066   0.00397   0.00462   2.63302
   R33        2.77797   0.00469   0.00131   0.01626   0.01757   2.79554
   R34        1.93012  -0.00263  -0.00778  -0.00558  -0.01336   1.91675
   R35        2.93303   0.00090  -0.01337   0.01331  -0.00006   2.93297
   R36        2.90665   0.00272  -0.00258   0.01487   0.01229   2.91894
   R37        2.16561  -0.00417  -0.00534  -0.01408  -0.01942   2.14619
   R38        2.84284  -0.00027  -0.00749   0.00579  -0.00170   2.84114
   R39        2.09549   0.00105   0.00138   0.00398   0.00535   2.10084
   R40        2.09597  -0.00040  -0.00508   0.00096  -0.00412   2.09185
   R41        2.66139  -0.00231  -0.00990   0.00132  -0.00857   2.65282
   R42        2.64942  -0.00060  -0.00855   0.00551  -0.00303   2.64640
   R43        2.63715  -0.00055  -0.00671   0.00362  -0.00310   2.63405
   R44        2.06274  -0.00061  -0.00080  -0.00085  -0.00165   2.06109
   R45        2.65432  -0.00394  -0.00644  -0.00405  -0.01050   2.64381
   R46        2.05674   0.00014   0.00021   0.00123   0.00144   2.05818
   R47        2.63835   0.00043  -0.00652   0.00578  -0.00075   2.63759
   R48        2.05434   0.00007  -0.00320   0.00188  -0.00131   2.05303
   R49        2.63959   0.00207  -0.00679   0.01018   0.00339   2.64298
   R50        2.05457   0.00088   0.00153   0.00281   0.00433   2.05891
   R51        2.05490   0.00027   0.00128   0.00100   0.00227   2.05717
   R52        2.88381   0.00209  -0.00787   0.01464   0.00677   2.89058
   R53        2.10017  -0.00078  -0.00277  -0.00115  -0.00392   2.09625
   R54        2.10445  -0.00103  -0.00787  -0.00040  -0.00828   2.09617
   R55        2.70882  -0.00058  -0.00145   0.00261   0.00115   2.70997
   R56        2.98673  -0.00631  -0.01634  -0.01360  -0.02994   2.95679
   R57        2.12286  -0.00310  -0.00297  -0.00916  -0.01213   2.11073
   R58        1.85366  -0.00005  -0.00251   0.00109  -0.00142   1.85225
   R59        2.89824   0.00171  -0.00546   0.01261   0.00715   2.90539
   R60        2.80852  -0.00009  -0.00519   0.00513  -0.00006   2.80847
   R61        2.13137  -0.00135  -0.00762  -0.00141  -0.00903   2.12234
   R62        2.84039   0.00088  -0.00703   0.00850   0.00147   2.84186
   R63        2.11897  -0.00137  -0.00177  -0.00390  -0.00567   2.11330
   R64        2.09018   0.00108  -0.00290   0.00571   0.00281   2.09299
   R65        2.64260   0.00064  -0.00538   0.00678   0.00142   2.64402
   R66        2.66805  -0.00319  -0.01044  -0.00218  -0.01261   2.65544
   R67        2.64179   0.00184  -0.00538   0.00852   0.00315   2.64494
   R68        2.06511  -0.00114  -0.00252  -0.00274  -0.00526   2.05985
   R69        2.63844  -0.00016  -0.00573   0.00370  -0.00203   2.63640
   R70        2.05403   0.00092   0.00096   0.00313   0.00409   2.05812
   R71        2.65588  -0.00364  -0.00590  -0.00399  -0.00991   2.64597
   R72        2.05446   0.00010  -0.00438   0.00236  -0.00202   2.05244
   R73        2.62761   0.00237  -0.00319   0.00899   0.00578   2.63339
   R74        2.05908  -0.00046  -0.00028  -0.00073  -0.00101   2.05806
   R75        2.05901  -0.00088  -0.00395  -0.00113  -0.00508   2.05393
   R76        2.60137   0.00539   0.00686   0.00982   0.01668   2.61805
   R77        1.93336  -0.00243  -0.00739  -0.00555  -0.01294   1.92042
   R78        2.30339  -0.00415  -0.00282  -0.00812  -0.01095   2.29244
   R79        2.61390   0.00977   0.00855   0.02067   0.02922   2.64312
   R80        2.70432   0.00940   0.00629   0.02426   0.03055   2.73487
   R81        2.79832   0.00039  -0.01458   0.00919  -0.00539   2.79293
   R82        2.08637   0.00449   0.00398   0.01466   0.01864   2.10500
   R83        2.11625  -0.00207  -0.00213  -0.00734  -0.00947   2.10677
   R84        2.62609  -0.01191  -0.01696  -0.01910  -0.03607   2.59002
   R85        3.25610   0.00404  -0.00203   0.01632   0.01435   3.27045
   R86        2.62038   0.01133   0.01151   0.02063   0.03208   2.65246
   R87        2.05792  -0.00174  -0.00944  -0.00245  -0.01189   2.04603
   R88        2.50818  -0.00881  -0.00919  -0.01310  -0.02235   2.48583
   R89        3.31522   0.00238   0.00293   0.00930   0.01225   3.32747
   R90        2.03962   0.00215  -0.00423   0.00936   0.00513   2.04475
   R91        2.91251  -0.00119  -0.01270   0.00459  -0.00811   2.90440
   R92        2.88387   0.00141  -0.00331   0.00935   0.00604   2.88991
   R93        2.13116  -0.00167  -0.00786  -0.00271  -0.01057   2.12059
   R94        2.06816   0.00112  -0.00497   0.00650   0.00154   2.06970
   R95        2.07240   0.00063  -0.00545   0.00464  -0.00081   2.07159
   R96        2.07031  -0.00014  -0.00366   0.00104  -0.00262   2.06769
   R97        2.07679  -0.00083  -0.00842  -0.00007  -0.00849   2.06830
   R98        2.07706   0.00188  -0.00167   0.00778   0.00611   2.08317
   R99        2.07564  -0.00105  -0.00356  -0.00251  -0.00607   2.06957
   R100       3.24557   0.00380  -0.00165   0.01549   0.01387   3.25944
   R101       2.02272   0.00207  -0.00687   0.01023   0.00336   2.02608
    A1        1.92659   0.00029   0.00338   0.00160   0.00487   1.93146
    A2        1.94007   0.00043   0.00573   0.00328   0.00888   1.94895
    A3        1.97068   0.00095   0.00227   0.00223   0.00450   1.97518
    A4        1.83979   0.00089   0.00316   0.01262   0.01554   1.85532
    A5        1.88350  -0.00157  -0.00883  -0.01266  -0.02147   1.86202
    A6        1.89772  -0.00108  -0.00599  -0.00691  -0.01290   1.88482
    A7        1.94270  -0.00075  -0.00462  -0.00146  -0.00665   1.93605
    A8        1.94550   0.00119   0.00563   0.01056   0.01628   1.96179
    A9        1.94162  -0.00247  -0.01579  -0.03140  -0.04720   1.89442
   A10        1.88786   0.00083   0.00812   0.01221   0.02013   1.90799
   A11        1.88685   0.00081   0.00435   0.00167   0.00506   1.89191
   A12        1.85583   0.00052   0.00368   0.00972   0.01338   1.86921
   A13        1.95476   0.00035  -0.00386  -0.00025  -0.00420   1.95057
   A14        1.93392   0.00055   0.01102   0.00425   0.01510   1.94902
   A15        1.93202   0.00031   0.00081   0.00145   0.00196   1.93398
   A16        1.87802  -0.00039  -0.00216  -0.00127  -0.00339   1.87463
   A17        1.92761  -0.00198  -0.00993  -0.01978  -0.02991   1.89770
   A18        1.83302   0.00117   0.00503   0.01642   0.02108   1.85410
   A19        2.15733   0.00330  -0.00568   0.01867   0.01294   2.17027
   A20        2.16826  -0.00224  -0.00852  -0.00725  -0.01582   2.15244
   A21        1.95759  -0.00106   0.01423  -0.01137   0.00284   1.96043
   A22        1.94787   0.00253  -0.01156   0.01635   0.00471   1.95258
   A23        2.08195  -0.00194  -0.00368  -0.00824  -0.01191   2.07004
   A24        2.02274  -0.00206  -0.00063  -0.00926  -0.00996   2.01278
   A25        2.17841   0.00401   0.00435   0.01759   0.02194   2.20035
   A26        1.92343   0.00115   0.00376   0.00892   0.01267   1.93610
   A27        1.90276   0.00161   0.00691   0.01544   0.02244   1.92520
   A28        1.90531   0.00067   0.00015   0.00979   0.00993   1.91525
   A29        1.94673  -0.00171  -0.00956  -0.00962  -0.01944   1.92729
   A30        1.91216  -0.00079   0.00114  -0.00964  -0.00873   1.90343
   A31        1.87239  -0.00093  -0.00231  -0.01499  -0.01767   1.85472
   A32        2.05560  -0.00113  -0.00045  -0.00488  -0.00555   2.05005
   A33        2.16930   0.00191   0.00497   0.00734   0.01207   2.18137
   A34        2.05815  -0.00080  -0.00456  -0.00299  -0.00776   2.05039
   A35        1.93000  -0.00041   0.00018   0.00206   0.00218   1.93218
   A36        1.91611   0.00052  -0.00261   0.00340   0.00071   1.91682
   A37        1.92775   0.00070   0.00230   0.00113   0.00334   1.93109
   A38        1.87481   0.00115   0.00693   0.01059   0.01747   1.89227
   A39        1.87897   0.00075   0.00496   0.00674   0.01163   1.89060
   A40        1.93532  -0.00272  -0.01143  -0.02374  -0.03528   1.90004
   A41        2.10791   0.00140   0.00726   0.00364   0.01090   2.11881
   A42        2.06674  -0.00179  -0.01156  -0.00306  -0.01463   2.05211
   A43        2.10841   0.00038   0.00426  -0.00052   0.00374   2.11215
   A44        2.07001   0.00081   0.00428   0.00104   0.00326   2.07327
   A45        2.15698  -0.00071  -0.00099  -0.00693  -0.00998   2.14700
   A46        2.05367  -0.00026  -0.00411  -0.00054  -0.00673   2.04694
   A47        1.88271  -0.00188  -0.00194  -0.00866  -0.01080   1.87191
   A48        1.90360  -0.00079   0.00087   0.00073   0.00156   1.90516
   A49        1.85712   0.00125   0.00511  -0.00042   0.00457   1.86169
   A50        1.97364   0.00398  -0.00033   0.03177   0.03150   2.00514
   A51        1.92258  -0.00159  -0.00372  -0.01564  -0.01932   1.90326
   A52        1.92005  -0.00112   0.00040  -0.00945  -0.00895   1.91110
   A53        2.14182  -0.00091   0.00626  -0.00700  -0.00156   2.14027
   A54        2.04221   0.00062  -0.01556   0.00984  -0.00655   2.03567
   A55        2.09879   0.00025   0.00917  -0.00445   0.00388   2.10268
   A56        2.12170  -0.00137  -0.00748  -0.00398  -0.01159   2.11011
   A57        2.10898   0.00323   0.01780   0.01270   0.03036   2.13934
   A58        2.05250  -0.00186  -0.01032  -0.00859  -0.01904   2.03346
   A59        1.93127  -0.00226  -0.00426  -0.01946  -0.02436   1.90691
   A60        1.98690   0.00152  -0.01376   0.01182  -0.00269   1.98422
   A61        1.87155   0.00009   0.00559   0.00225   0.00818   1.87973
   A62        1.94164  -0.00107  -0.00417  -0.00934  -0.01424   1.92740
   A63        1.83884   0.00197   0.01118   0.01518   0.02654   1.86538
   A64        1.88552  -0.00009   0.00913   0.00104   0.01032   1.89584
   A65        1.97273   0.00189  -0.00278   0.01639   0.01354   1.98627
   A66        1.89433  -0.00108  -0.00532  -0.00783  -0.01315   1.88118
   A67        1.90717  -0.00034  -0.00185   0.00323   0.00116   1.90834
   A68        1.92016  -0.00028   0.00477  -0.00518  -0.00037   1.91980
   A69        1.91331   0.00013   0.00660   0.00516   0.01162   1.92493
   A70        1.85214  -0.00048  -0.00136  -0.01376  -0.01524   1.83690
   A71        2.09260  -0.00004  -0.00147   0.00053  -0.00098   2.09161
   A72        2.11308  -0.00095  -0.00634  -0.00194  -0.00832   2.10476
   A73        2.07744   0.00099   0.00783   0.00153   0.00937   2.08681
   A74        2.10254  -0.00026  -0.00520  -0.00068  -0.00587   2.09667
   A75        2.09007   0.00005   0.00151   0.00052   0.00201   2.09208
   A76        2.09057   0.00021   0.00369   0.00017   0.00385   2.09442
   A77        2.09475   0.00100   0.00069   0.00324   0.00392   2.09867
   A78        2.09362  -0.00036  -0.00072  -0.00039  -0.00111   2.09251
   A79        2.09482  -0.00065   0.00003  -0.00285  -0.00281   2.09201
   A80        2.08927   0.00001   0.00145  -0.00070   0.00072   2.08999
   A81        2.08922   0.00046   0.00243   0.00226   0.00469   2.09391
   A82        2.10469  -0.00048  -0.00388  -0.00157  -0.00543   2.09926
   A83        2.09910  -0.00031  -0.00059   0.00025  -0.00035   2.09875
   A84        2.08874   0.00066   0.00379   0.00175   0.00554   2.09428
   A85        2.09535  -0.00034  -0.00320  -0.00200  -0.00520   2.09015
   A86        2.10327  -0.00143  -0.00418  -0.00366  -0.00782   2.09546
   A87        2.10422  -0.00047  -0.00377  -0.00349  -0.00727   2.09694
   A88        2.07566   0.00189   0.00794   0.00712   0.01505   2.09071
   A89        1.99196   0.00234  -0.00712   0.01675   0.00959   2.00156
   A90        1.92504  -0.00046   0.00247   0.00093   0.00332   1.92837
   A91        1.89062  -0.00216  -0.00523  -0.02059  -0.02575   1.86487
   A92        1.92027  -0.00075  -0.00093   0.00267   0.00165   1.92192
   A93        1.89155  -0.00005   0.00823  -0.00667   0.00153   1.89308
   A94        1.83738   0.00095   0.00357   0.00541   0.00895   1.84633
   A95        1.89943  -0.00098  -0.01494  -0.00570  -0.02087   1.87856
   A96        1.95568   0.00116  -0.00233   0.00730   0.00430   1.95998
   A97        1.93414   0.00002   0.00441   0.00666   0.01092   1.94506
   A98        1.84408  -0.00176  -0.00497  -0.01593  -0.02126   1.82282
   A99        1.92654   0.00068   0.00846  -0.00317   0.00557   1.93211
   A100       1.90207   0.00082   0.00966   0.00964   0.01917   1.92124
   A101       1.91968   0.00117  -0.00916   0.01598   0.00682   1.92650
   A102       1.96115  -0.00055  -0.00807  -0.00132  -0.00943   1.95172
   A103       1.91152  -0.00105   0.00191  -0.00978  -0.00804   1.90348
   A104       1.84639   0.00211   0.01286   0.02076   0.03367   1.88006
   A105       1.94567   0.00071  -0.00174  -0.00097  -0.00287   1.94280
   A106       1.93732  -0.00095  -0.00142  -0.00770  -0.00905   1.92827
   A107       1.85637  -0.00020  -0.00240   0.00000  -0.00251   1.85387
   A108       1.95263   0.00027   0.00143   0.00248   0.00376   1.95640
   A109       1.90708  -0.00016  -0.00149   0.00324   0.00150   1.90859
   A110       1.93733  -0.00135  -0.01063  -0.01143  -0.02214   1.91519
   A111       1.90648   0.00117   0.00940   0.01223   0.02153   1.92800
   A112       1.92010   0.00012   0.00025  -0.00279  -0.00266   1.91744
   A113       1.83639  -0.00003   0.00165  -0.00361  -0.00209   1.83430
   A114       2.11675  -0.00205  -0.00892  -0.00645  -0.01538   2.10137
   A115       2.08911   0.00066  -0.00077   0.00318   0.00240   2.09151
   A116       2.07732   0.00138   0.00969   0.00327   0.01299   2.09031
   A117       2.10627  -0.00188  -0.00768  -0.00532  -0.01296   2.09331
   A118       2.09504   0.00040   0.00190  -0.00004   0.00184   2.09688
   A119       2.08186   0.00148   0.00578   0.00537   0.01113   2.09299
   A120       2.09467   0.00046   0.00153   0.00251   0.00404   2.09871
   A121       2.09446  -0.00055  -0.00378  -0.00207  -0.00585   2.08861
   A122       2.09406   0.00009   0.00225  -0.00044   0.00181   2.09586
   A123       2.09044   0.00006   0.00230  -0.00113   0.00114   2.09158
   A124       2.09728   0.00031   0.00044   0.00214   0.00259   2.09988
   A125       2.09546  -0.00037  -0.00274  -0.00101  -0.00373   2.09173
   A126       2.09677   0.00057  -0.00134   0.00246   0.00108   2.09785
   A127       2.08901  -0.00028   0.00107  -0.00130  -0.00021   2.08880
   A128       2.09740  -0.00029   0.00027  -0.00116  -0.00087   2.09653
   A129       2.10089  -0.00059  -0.00450  -0.00178  -0.00629   2.09461
   A130       2.07336   0.00217   0.01062   0.01039   0.02102   2.09438
   A131       2.10893  -0.00158  -0.00612  -0.00861  -0.01473   2.09420
   A132       2.13132  -0.00063  -0.00691   0.00027  -0.00674   2.12457
   A133       2.06151  -0.00066  -0.00727  -0.00099  -0.00836   2.05315
   A134       2.08990   0.00127   0.01405   0.00019   0.01412   2.10402
   A135       2.22478   0.00355   0.01744   0.00921   0.02654   2.25132
   A136       1.90010  -0.00359  -0.02910  -0.00462  -0.03383   1.86627
   A137       2.15825   0.00005   0.01167  -0.00434   0.00723   2.16548
   A138       2.06669  -0.00369  -0.02057  -0.00849  -0.02906   2.03763
   A139       1.98928  -0.00435  -0.00039  -0.02636  -0.02691   1.96237
   A140       1.80003  -0.00236  -0.03168  -0.01715  -0.04927   1.75075
   A141       1.90257   0.00001  -0.00404  -0.00452  -0.00840   1.89417
   A142       1.94006   0.00218   0.00533   0.01055   0.01396   1.95402
   A143       1.93021   0.00363   0.02015   0.02157   0.04088   1.97109
   A144       1.89588   0.00065   0.00983   0.01488   0.02279   1.91867
   A145       2.24020   0.00195  -0.00115   0.01063   0.00944   2.24964
   A146       2.14649  -0.00335  -0.01409  -0.01107  -0.02519   2.12130
   A147       1.89644   0.00140   0.01523   0.00042   0.01571   1.91215
   A148       2.02527  -0.00190  -0.00430  -0.00771  -0.01207   2.01320
   A149       2.16249   0.00335   0.00766   0.01903   0.02672   2.18921
   A150       2.09541  -0.00144  -0.00336  -0.01132  -0.01465   2.08076
   A151       1.94421   0.00236  -0.01050   0.01655   0.00589   1.95010
   A152       1.97015  -0.00158   0.01495  -0.01352   0.00141   1.97156
   A153       2.14763   0.00389  -0.00086   0.02615   0.02530   2.17293
   A154       2.16540  -0.00231  -0.01410  -0.01263  -0.02671   2.13869
   A155       1.58871  -0.00028  -0.01537   0.00426  -0.01095   1.57776
   A156       1.96708  -0.00093  -0.00619  -0.00049  -0.00665   1.96043
   A157       1.95902  -0.00060  -0.00859   0.00080  -0.00774   1.95129
   A158       1.84892   0.00012   0.00319  -0.00766  -0.00442   1.84450
   A159       1.93983   0.00143   0.00562   0.00972   0.01514   1.95496
   A160       1.87508   0.00017   0.00058   0.00323   0.00369   1.87877
   A161       1.86662  -0.00019   0.00660  -0.00683  -0.00033   1.86629
   A162       1.95659   0.00151  -0.00093   0.01026   0.00933   1.96592
   A163       1.94092   0.00065  -0.00012   0.00664   0.00643   1.94736
   A164       1.93569   0.00072   0.00634   0.00355   0.00980   1.94549
   A165       1.88906  -0.00171  -0.00573  -0.01267  -0.01841   1.87064
   A166       1.89063  -0.00148  -0.00324  -0.01211  -0.01536   1.87527
   A167       1.84667   0.00011   0.00372   0.00308   0.00664   1.85331
   A168       1.93517  -0.00033  -0.00127  -0.00035  -0.00170   1.93348
   A169       1.96272  -0.00033  -0.01053   0.00124  -0.00941   1.95330
   A170       1.96912  -0.00084  -0.00021  -0.00444  -0.00470   1.96442
   A171       1.87294  -0.00019   0.00141  -0.00539  -0.00411   1.86882
   A172       1.83299   0.00150   0.00821   0.01161   0.01982   1.85280
   A173       1.88378   0.00034   0.00408  -0.00216   0.00183   1.88561
   A174       1.90276   0.00053   0.01178  -0.00030   0.01150   1.91426
   A175       2.21313   0.00177   0.00006   0.01231   0.01235   2.22548
   A176       2.16726  -0.00231  -0.01186  -0.01204  -0.02392   2.14334
   A177       1.59380   0.00005  -0.01382   0.00458  -0.00909   1.58471
    D1        0.86765  -0.00133  -0.00916  -0.00687  -0.01581   0.85184
    D2        2.97714   0.00003   0.00186   0.01499   0.01683   2.99397
    D3       -1.23788  -0.00016  -0.00012   0.01347   0.01293  -1.22496
    D4        2.90279   0.00022   0.00010   0.01168   0.01214   2.91493
    D5       -1.27091   0.00158   0.01112   0.03354   0.04478  -1.22613
    D6        0.79725   0.00138   0.00914   0.03202   0.04088   0.83813
    D7       -1.24223  -0.00017  -0.00181   0.00672   0.00520  -1.23703
    D8        0.86726   0.00119   0.00921   0.02858   0.03785   0.90510
    D9        2.93542   0.00099   0.00723   0.02706   0.03394   2.96936
   D10        0.74936   0.00109   0.00649   0.02678   0.03340   0.78276
   D11        2.84657   0.00121   0.00875   0.02793   0.03664   2.88321
   D12       -1.41022   0.00318   0.02178   0.05159   0.07349  -1.33673
   D13       -1.39361  -0.00048  -0.00304   0.00626   0.00340  -1.39021
   D14        0.70361  -0.00036  -0.00078   0.00741   0.00664   0.71024
   D15        2.73000   0.00161   0.01225   0.03107   0.04349   2.77349
   D16        2.88680  -0.00192  -0.01341  -0.01220  -0.02573   2.86107
   D17       -1.29917  -0.00180  -0.01114  -0.01106  -0.02249  -1.32167
   D18        0.72722   0.00017   0.00189   0.01261   0.01436   0.74158
   D19        2.71600  -0.00081  -0.00529  -0.01726  -0.02271   2.69329
   D20       -0.42069  -0.00119  -0.00881  -0.02980  -0.03873  -0.45942
   D21       -1.42593  -0.00042  -0.00221  -0.00402  -0.00612  -1.43205
   D22        1.72057  -0.00080  -0.00573  -0.01657  -0.02213   1.69844
   D23        0.59716   0.00118   0.00834   0.00876   0.01707   0.61423
   D24       -2.53953   0.00080   0.00482  -0.00379   0.00105  -2.53848
   D25       -3.13962  -0.00037  -0.00327  -0.01123  -0.01466   3.12890
   D26       -0.00241  -0.00004  -0.00027  -0.00003  -0.00025  -0.00266
   D27        3.13689   0.00038   0.00300   0.01113   0.01404  -3.13225
   D28       -0.00029   0.00003  -0.00005  -0.00023  -0.00029  -0.00058
   D29       -3.12324  -0.00023  -0.00151  -0.00659  -0.00796  -3.13119
   D30        0.00488   0.00004   0.00058   0.00038   0.00090   0.00577
   D31        1.80779   0.00052   0.00598   0.01673   0.02265   1.83044
   D32       -2.33337   0.00019   0.00102   0.02068   0.02177  -2.31160
   D33       -0.29305   0.00037   0.00220   0.01693   0.01910  -0.27395
   D34       -1.31904   0.00028   0.00376   0.00934   0.01305  -1.30599
   D35        0.82299  -0.00005  -0.00120   0.01329   0.01217   0.83516
   D36        2.86331   0.00013  -0.00002   0.00954   0.00950   2.87281
   D37       -0.00496  -0.00001  -0.00064  -0.00048  -0.00110  -0.00606
   D38       -3.13844   0.00021   0.00145   0.00425   0.00578  -3.13266
   D39        3.12231   0.00022   0.00148   0.00667   0.00820   3.13051
   D40       -0.01116   0.00044   0.00357   0.01141   0.01507   0.00391
   D41       -1.48494   0.00058   0.00250   0.01807   0.02061  -1.46433
   D42        1.63809  -0.00027  -0.00250  -0.01618  -0.01885   1.61923
   D43        2.68223  -0.00110  -0.00251  -0.00114  -0.00331   2.67892
   D44       -0.47792  -0.00195  -0.00751  -0.03539  -0.04278  -0.52070
   D45        0.61177   0.00162   0.00570   0.02963   0.03527   0.64704
   D46       -2.54838   0.00077   0.00069  -0.00461  -0.00419  -2.55257
   D47       -0.49661  -0.00049  -0.00448  -0.02421  -0.02853  -0.52514
   D48       -2.56225  -0.00198  -0.01150  -0.04060  -0.05192  -2.61416
   D49        1.58148   0.00062   0.00320  -0.01380  -0.01045   1.57104
   D50        2.66234   0.00027   0.00017   0.00770   0.00770   2.67003
   D51        0.59670  -0.00122  -0.00685  -0.00870  -0.01569   0.58101
   D52       -1.54275   0.00139   0.00785   0.01811   0.02578  -1.51697
   D53       -3.08717  -0.00049  -0.00260  -0.01544  -0.01797  -3.10514
   D54        0.03797  -0.00058  -0.00673  -0.01094  -0.01761   0.02036
   D55        0.03584  -0.00135  -0.00760  -0.04976  -0.05742  -0.02158
   D56       -3.12221  -0.00144  -0.01173  -0.04526  -0.05706   3.10392
   D57        3.10287  -0.00179  -0.01350  -0.06793  -0.08130   3.02156
   D58        0.03941   0.00069   0.00574   0.03145   0.03705   0.07646
   D59       -0.05519  -0.00187  -0.01762  -0.06339  -0.08087  -0.13606
   D60       -3.11864   0.00060   0.00161   0.03599   0.03748  -3.08116
   D61       -1.71900   0.00198   0.00118   0.01927   0.02041  -1.69859
   D62        2.41427  -0.00122   0.00225  -0.01459  -0.01231   2.40196
   D63        0.34374  -0.00017  -0.00145  -0.00358  -0.00509   0.33865
   D64        1.34910  -0.00037  -0.01687  -0.07449  -0.09135   1.25775
   D65       -0.80081  -0.00357  -0.01580  -0.10835  -0.12407  -0.92488
   D66       -2.87134  -0.00252  -0.01950  -0.09734  -0.11685  -2.98819
   D67       -0.15542  -0.00177  -0.01282  -0.07464  -0.08744  -0.24287
   D68        2.95752  -0.00326  -0.02154  -0.13978  -0.16116   2.79635
   D69        1.95118  -0.00157  -0.01327  -0.05973  -0.07303   1.87815
   D70       -1.21907  -0.00306  -0.02199  -0.12486  -0.14675  -1.36582
   D71       -2.17566  -0.00135  -0.01582  -0.06090  -0.07691  -2.25257
   D72        0.93728  -0.00284  -0.02454  -0.12604  -0.15063   0.78665
   D73        1.05318   0.00009  -0.00113   0.04081   0.03968   1.09286
   D74       -3.02371   0.00078  -0.00594   0.05426   0.04845  -2.97526
   D75       -0.99249   0.00031  -0.00051   0.04189   0.04146  -0.95103
   D76       -1.04151   0.00045   0.00093   0.03075   0.03156  -1.00995
   D77        1.16478   0.00114  -0.00388   0.04420   0.04032   1.20511
   D78       -3.08718   0.00068   0.00155   0.03184   0.03334  -3.05384
   D79        3.08393   0.00050   0.00573   0.03537   0.04102   3.12495
   D80       -0.99296   0.00120   0.00092   0.04882   0.04978  -0.94318
   D81        1.03826   0.00073   0.00635   0.03646   0.04280   1.08106
   D82        3.13986   0.00235   0.00013   0.12147   0.12190  -3.02143
   D83        0.00310   0.00179   0.00195   0.08919   0.09097   0.09408
   D84       -0.02964   0.00088  -0.00837   0.05797   0.04977   0.02013
   D85        3.11679   0.00032  -0.00655   0.02569   0.01885   3.13564
   D86        2.04745   0.00007   0.00592  -0.02940  -0.02347   2.02398
   D87       -2.03388  -0.00203  -0.01531  -0.04867  -0.06367  -2.09755
   D88        0.05062  -0.00116  -0.00822  -0.03868  -0.04674   0.00388
   D89       -1.09884   0.00063   0.00416   0.00193   0.00578  -1.09305
   D90        1.10303  -0.00148  -0.01707  -0.01734  -0.03442   1.06861
   D91       -3.09566  -0.00060  -0.00998  -0.00735  -0.01749  -3.11315
   D92        0.97401  -0.00036  -0.01195   0.00349  -0.00830   0.96571
   D93       -1.16109  -0.00049  -0.01232   0.00477  -0.00733  -1.16843
   D94        3.10960   0.00085  -0.00671   0.02364   0.01710   3.12670
   D95       -1.25290   0.00022   0.01369   0.01028   0.02382  -1.22908
   D96        2.89518   0.00009   0.01332   0.01156   0.02479   2.91997
   D97        0.88269   0.00143   0.01894   0.03044   0.04922   0.93191
   D98        2.99135  -0.00027  -0.00134   0.00503   0.00362   2.99497
   D99        0.85624  -0.00040  -0.00171   0.00631   0.00459   0.86083
   D100      -1.15625   0.00094   0.00390   0.02519   0.02902  -1.12723
   D101       1.06610   0.00175   0.00448   0.04691   0.05129   1.11739
   D102      -1.10599   0.00134   0.00917   0.02995   0.03901  -1.06698
   D103      -3.10844   0.00166   0.00649   0.03453   0.04095  -3.06749
   D104      -3.02069  -0.00099  -0.01696   0.02228   0.00539  -3.01530
   D105       1.09041  -0.00139  -0.01227   0.00533  -0.00688   1.08353
   D106      -0.91204  -0.00107  -0.01496   0.00991  -0.00495  -0.91699
   D107      -1.01045   0.00076  -0.00057   0.03608   0.03552  -0.97494
   D108       3.10064   0.00035   0.00412   0.01912   0.02324   3.12389
   D109       1.09819   0.00067   0.00143   0.02370   0.02518   1.12337
   D110      -1.62165   0.00061   0.00293   0.01713   0.02016  -1.60149
   D111       1.50673   0.00093   0.00441   0.02797   0.03240   1.53914
   D112       0.49895   0.00031  -0.00236   0.01460   0.01226   0.51122
   D113      -2.65585   0.00064  -0.00088   0.02544   0.02451  -2.63134
   D114       2.52939  -0.00035   0.00240  -0.00205   0.00034   2.52972
   D115      -0.62542  -0.00002   0.00388   0.00879   0.01258  -0.61284
   D116       3.12741   0.00019   0.00137   0.00574   0.00715   3.13456
   D117      -0.01961   0.00020   0.00105   0.00671   0.00781  -0.01180
   D118      -0.00124  -0.00011   0.00005  -0.00485  -0.00484  -0.00607
   D119       3.13493  -0.00010  -0.00026  -0.00388  -0.00418   3.13075
   D120      -3.12678  -0.00021  -0.00147  -0.00614  -0.00760  -3.13438
   D121       0.02352  -0.00008  -0.00041  -0.00281  -0.00326   0.02026
   D122       0.00171   0.00010  -0.00009   0.00460   0.00453   0.00624
   D123      -3.13117   0.00024   0.00097   0.00793   0.00887  -3.12230
   D124      -0.00040   0.00004  -0.00013   0.00175   0.00163   0.00123
   D125       3.13969  -0.00001  -0.00049   0.00056   0.00007   3.13976
   D126      -3.13657   0.00002   0.00019   0.00078   0.00098  -3.13559
   D127       0.00353  -0.00002  -0.00017  -0.00041  -0.00058   0.00295
   D128       0.00158   0.00005   0.00023   0.00166   0.00188   0.00346
   D129       3.13929  -0.00003  -0.00032  -0.00066  -0.00100   3.13828
   D130      -3.13851   0.00010   0.00059   0.00284   0.00344  -3.13507
   D131      -0.00081   0.00001   0.00004   0.00053   0.00055  -0.00025
   D132      -0.00111  -0.00006  -0.00027  -0.00191  -0.00218  -0.00329
   D133       3.14080  -0.00017  -0.00110  -0.00475  -0.00587   3.13494
   D134      -3.13878   0.00002   0.00028   0.00042   0.00070  -3.13809
   D135       0.00314  -0.00009  -0.00055  -0.00242  -0.00299   0.00014
   D136      -0.00055  -0.00001   0.00021  -0.00125  -0.00104  -0.00158
   D137       3.13248  -0.00016  -0.00087  -0.00458  -0.00547   3.12701
   D138       3.14072   0.00010   0.00105   0.00160   0.00265  -3.13982
   D139      -0.00944  -0.00005  -0.00003  -0.00172  -0.00179  -0.01123
   D140      -1.08095  -0.00247  -0.01377  -0.07241  -0.08612  -1.16707
   D141      -3.11381  -0.00038   0.00369  -0.05358  -0.04999   3.11938
   D142       1.04062  -0.00226  -0.01014  -0.07587  -0.08610   0.95452
   D143       1.09369  -0.00192  -0.01666  -0.05646  -0.07302   1.02067
   D144      -0.93918   0.00017   0.00080  -0.03763  -0.03688  -0.97606
   D145      -3.06793  -0.00171  -0.01303  -0.05992  -0.07299  -3.14092
   D146       3.09411  -0.00121  -0.00846  -0.05229  -0.06061   3.03350
   D147       1.06124   0.00088   0.00900  -0.03346  -0.02447   1.03677
   D148      -1.06751  -0.00100  -0.00483  -0.05575  -0.06058  -1.12809
   D149       2.39860  -0.00068   0.00003  -0.01583  -0.01619   2.38242
   D150      -1.78145  -0.00081  -0.01419  -0.01915  -0.03301  -1.81446
   D151       0.27241  -0.00050  -0.00130  -0.01839  -0.01964   0.25277
   D152      -0.91870  -0.00141  -0.01564  -0.03957  -0.05521  -0.97391
   D153      -3.09111  -0.00116  -0.00897  -0.03011  -0.03912  -3.13023
   D154       1.19787  -0.00152  -0.01351  -0.03623  -0.04984   1.14803
   D155      -2.98468   0.00022   0.00713  -0.02688  -0.01975  -3.00443
   D156       1.12610   0.00048   0.01380  -0.01742  -0.00366   1.12244
   D157      -0.86811   0.00011   0.00926  -0.02354  -0.01438  -0.88249
   D158       1.22829  -0.00003  -0.00493  -0.01937  -0.02415   1.20414
   D159      -0.94412   0.00023   0.00174  -0.00991  -0.00806  -0.95218
   D160      -2.93833  -0.00014  -0.00279  -0.01603  -0.01878  -2.95711
   D161       3.09502   0.00004  -0.00272  -0.00614  -0.00885   3.08616
   D162      -1.07472   0.00159   0.00897   0.01306   0.02197  -1.05275
   D163       0.94283   0.00068   0.00384   0.00406   0.00787   0.95070
   D164      -1.03475  -0.00121  -0.00768  -0.02069  -0.02830  -1.06305
   D165       1.07870   0.00033   0.00402  -0.00148   0.00253   1.08123
   D166       3.09625  -0.00057  -0.00111  -0.01048  -0.01157   3.08467
   D167       1.03137  -0.00163  -0.01278  -0.02636  -0.03910   0.99227
   D168      -3.13837  -0.00008  -0.00109  -0.00715  -0.00828   3.13654
   D169      -1.12082  -0.00098  -0.00622  -0.01615  -0.02238  -1.14320
   D170       1.13767  -0.00091  -0.00617  -0.01392  -0.02018   1.11749
   D171      -2.03686  -0.00151  -0.01226  -0.03255  -0.04469  -2.08155
   D172      -1.04372   0.00006   0.00411  -0.00441  -0.00039  -1.04412
   D173       2.06493  -0.00053  -0.00198  -0.02304  -0.02490   2.04003
   D174       3.12544   0.00094   0.00842   0.00556   0.01384   3.13928
   D175      -0.04909   0.00034   0.00233  -0.01307  -0.01067  -0.05976
   D176       1.64441   0.00100   0.00764   0.02110   0.02884   1.67324
   D177      -1.49884   0.00100   0.00755   0.02107   0.02872  -1.47012
   D178      -0.46939   0.00023   0.00236   0.00710   0.00939  -0.46001
   D179       2.67054   0.00022   0.00227   0.00707   0.00927   2.67981
   D180      -2.47688  -0.00046  -0.00493   0.00608   0.00113  -2.47576
   D181       0.66305  -0.00047  -0.00501   0.00605   0.00101   0.66406
   D182       3.14132   0.00000  -0.00016   0.00023   0.00007   3.14139
   D183       0.00640  -0.00005  -0.00044  -0.00108  -0.00152   0.00488
   D184       0.00137   0.00000  -0.00007   0.00027   0.00020   0.00158
   D185      -3.13355  -0.00004  -0.00035  -0.00105  -0.00139  -3.13494
   D186      -3.14062   0.00000   0.00013  -0.00030  -0.00017  -3.14079
   D187      -0.00037   0.00001   0.00014  -0.00004   0.00011  -0.00026
   D188      -0.00064  -0.00001   0.00002  -0.00034  -0.00032  -0.00096
   D189       3.13960   0.00000   0.00004  -0.00008  -0.00004   3.13957
   D190      -0.00088   0.00001   0.00014   0.00004   0.00018  -0.00070
   D191      -3.14017  -0.00001  -0.00007  -0.00048  -0.00054  -3.14071
   D192       3.13410   0.00005   0.00040   0.00132   0.00173   3.13583
   D193      -0.00520   0.00003   0.00020   0.00081   0.00101  -0.00419
   D194      -0.00036  -0.00001  -0.00016  -0.00027  -0.00043  -0.00079
   D195      -3.14055   0.00001   0.00005   0.00016   0.00021  -3.14034
   D196       3.13894   0.00001   0.00004   0.00024   0.00028   3.13922
   D197      -0.00126   0.00003   0.00025   0.00067   0.00092  -0.00033
   D198       0.00108   0.00001   0.00012   0.00020   0.00032   0.00141
   D199      -3.13945   0.00002   0.00014   0.00034   0.00048  -3.13897
   D200       3.14128  -0.00001  -0.00009  -0.00023  -0.00031   3.14097
   D201       0.00075  -0.00001  -0.00007  -0.00009  -0.00015   0.00060
   D202      -0.00058   0.00000  -0.00006   0.00011   0.00005  -0.00053
   D203      -3.14080  -0.00001  -0.00009  -0.00018  -0.00026  -3.14106
   D204       3.13995   0.00000  -0.00008  -0.00003  -0.00011   3.13984
   D205      -0.00027  -0.00001  -0.00011  -0.00032  -0.00042  -0.00069
   D206      -0.02577  -0.00094  -0.00762  -0.03079  -0.03863  -0.06440
   D207       3.10497  -0.00037  -0.00660  -0.00508  -0.01177   3.09320
   D208      -3.13390  -0.00030  -0.00124  -0.01185  -0.01300   3.13629
   D209      -0.00316   0.00027  -0.00022   0.01386   0.01386   0.01070
   D210       3.08406  -0.00246  -0.01328  -0.07865  -0.09179   2.99227
   D211      -0.06789  -0.00189  -0.01224  -0.05403  -0.06642  -0.13430
   D212      -1.23945  -0.00337  -0.03144  -0.07651  -0.10710  -1.34655
   D213       2.93844  -0.00216  -0.01575  -0.06405  -0.08044   2.85801
   D214       0.92617  -0.00174  -0.00860  -0.07066  -0.07948   0.84669
   D215      -0.11538   0.00080   0.01156  -0.01601  -0.00445  -0.11983
   D216       3.03914   0.00089   0.01236  -0.01291  -0.00060   3.03854
   D217       1.90967  -0.00353  -0.02569  -0.04769  -0.07405   1.83563
   D218      -1.21900  -0.00343  -0.02489  -0.04458  -0.07019  -1.28919
   D219      -2.26606   0.00119   0.00201  -0.00731  -0.00455  -2.27062
   D220       0.88845   0.00128   0.00282  -0.00420  -0.00069   0.88776
   D221      -3.12763   0.00017   0.00196   0.00320   0.00522  -3.12241
   D222       0.00698   0.00019   0.00236   0.00338   0.00579   0.01276
   D223       0.00253   0.00006   0.00112   0.00037   0.00148   0.00400
   D224       3.13713   0.00008   0.00151   0.00055   0.00205   3.13918
   D225       3.12914  -0.00015  -0.00192  -0.00322  -0.00510   3.12404
   D226      -0.00176  -0.00008  -0.00121  -0.00074  -0.00193  -0.00369
   D227      -0.00205  -0.00001  -0.00030   0.00033   0.00006  -0.00199
   D228      -3.13694  -0.00005  -0.00074   0.00003  -0.00065  -3.13760
   D229       0.00057  -0.00006  -0.00066  -0.00091  -0.00157  -0.00100
   D230      -3.13949   0.00000   0.00058  -0.00127  -0.00068  -3.14017
   D231       0.00072   0.00007   0.00111   0.00096   0.00204   0.00276
   D232       3.14076   0.00003  -0.00016   0.00138   0.00122  -3.14120
   D233       0.13324   0.00017  -0.00114   0.01021   0.00904   0.14228
   D234       2.25073  -0.00051  -0.00930   0.00582  -0.00355   2.24718
   D235      -1.98256   0.00051  -0.00082   0.01612   0.01531  -1.96725
   D236      -2.08329   0.00055   0.01085   0.00160   0.01249  -2.07080
   D237       0.03419  -0.00013   0.00269  -0.00279  -0.00010   0.03409
   D238       2.08409   0.00089   0.01117   0.00751   0.01876   2.10285
   D239       2.16337  -0.00010  -0.00034   0.00260   0.00225   2.16562
   D240      -2.00233  -0.00078  -0.00850  -0.00178  -0.01034  -2.01267
   D241       0.04757   0.00024  -0.00002   0.00851   0.00852   0.05608
   D242       2.72317   0.00104   0.01217   0.01476   0.02690   2.75007
   D243      -1.46304   0.00035   0.00569   0.00846   0.01418  -1.44885
   D244       0.67271  -0.00008   0.00281   0.00320   0.00604   0.67875
   D245      -1.33907   0.00047   0.00149   0.02259   0.02398  -1.31510
   D246       0.75791  -0.00022  -0.00499   0.01629   0.01126   0.76916
   D247       2.89366  -0.00065  -0.00787   0.01102   0.00311   2.89677
   D248       0.70262   0.00133   0.00883   0.02768   0.03652   0.73914
   D249       2.79960   0.00064   0.00235   0.02138   0.02380   2.82340
   D250      -1.34783   0.00020  -0.00053   0.01611   0.01565  -1.33218
   D251       0.00287   0.00001   0.00038   0.00043   0.00082   0.00369
   D252       3.13660  -0.00018  -0.00163  -0.00402  -0.00547   3.13113
         Item               Value     Threshold  Converged?
 Maximum Force            0.011910     0.000450     NO 
 RMS     Force            0.001901     0.000300     NO 
 Maximum Displacement     2.517144     0.001800     NO 
 RMS     Displacement     0.424365     0.001200     NO 
 Predicted change in Energy=-1.067580D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0      -10.136535   -2.469567    1.185785
      2          6           0       -9.705877   -1.508077    0.078339
      3          6           0      -10.528691   -0.212048    0.126387
      4          6           0       -8.245318   -1.171724    0.149090
      5          7           0       -7.517475   -0.794671   -0.884465
      6          6           0       -6.181800   -0.528895   -0.517597
      7          6           0       -5.218445   -0.072509   -1.582370
      8          7           0       -4.944849    1.371607   -1.461342
      9          6           0       -5.907639    2.305010   -2.093140
     10          6           0       -3.877687    1.932166   -0.736890
     11          8           0       -3.733192    3.148861   -0.648763
     12          7           0       -2.986269    1.045555   -0.095522
     13          6           0       -1.773851    1.594229    0.541489
     14          6           0       -0.607256    1.422571   -0.465751
     15          8           0       -0.687565    0.704031   -1.450441
     16          7           0        0.511787    2.229007   -0.268821
     17          6           0        1.613551    2.253742   -1.255703
     18          6           0        1.712915    3.672743   -1.876554
     19          6           0        1.874875    4.769471   -0.860992
     20          6           0        0.741243    5.419188   -0.347733
     21          6           0        0.883933    6.431041    0.600261
     22          6           0        2.156436    6.806054    1.044593
     23          6           0        3.285632    6.165637    0.531840
     24          6           0        3.148347    5.149844   -0.419693
     25          6           0        2.977927    1.823148   -0.673490
     26          6           0        3.037742    0.372517   -0.191979
     27          8           0        2.169421    0.255465    0.943288
     28          6           0        4.451415   -0.013104    0.356660
     29          6           0        5.556480    0.241846   -0.681432
     30          6           0        6.925626   -0.054434   -0.134432
     31          6           0        7.526144   -1.297113   -0.364125
     32          6           0        8.800892   -1.562455    0.149310
     33          6           0        9.476517   -0.591739    0.889320
     34          6           0        8.876765    0.652667    1.117960
     35          6           0        7.607501    0.922914    0.610163
     36          7           0        4.433247   -1.435152    0.788135
     37          6           0        4.224707   -2.467154   -0.112334
     38          8           0        3.975965   -2.406898   -1.298138
     39          8           0        4.332371   -3.662443    0.605992
     40          6           0        3.962964   -4.876263   -0.090184
     41          6           0        2.498154   -5.046744   -0.188238
     42          6           0        1.504281   -4.298892    0.387454
     43          7           0        0.195832   -4.731776    0.121503
     44          6           0        0.182593   -5.796868   -0.650377
     45         16           0        1.796136   -6.337097   -1.103279
     46          6           0       -1.559861    0.898419    1.915226
     47          6           0       -1.319708   -0.612968    1.773005
     48          6           0       -0.460333    1.579163    2.731503
     49          6           0       -5.890804   -0.712882    0.807362
     50         16           0       -7.307845   -1.223425    1.647812
     51          1           0      -11.228819   -2.578741    1.200954
     52          1           0       -9.729003   -3.474955    1.029886
     53          1           0       -9.840783   -2.136559    2.183030
     54          1           0       -9.883191   -2.004628   -0.915533
     55          1           0      -10.626511    0.167730    1.145330
     56          1           0      -10.069901    0.582294   -0.477749
     57          1           0      -11.529350   -0.371322   -0.286830
     58          1           0       -4.269578   -0.654806   -1.520981
     59          1           0       -5.648391   -0.279458   -2.594919
     60          1           0       -6.374862    1.843123   -2.977311
     61          1           0       -5.383191    3.223722   -2.414938
     62          1           0       -6.705562    2.580002   -1.383186
     63          1           0       -3.046258    0.041156   -0.189001
     64          1           0       -1.963438    2.699648    0.702906
     65          1           0        0.609377    2.841066    0.534091
     66          1           0        1.338401    1.543686   -2.098296
     67          1           0        0.794475    3.844925   -2.478832
     68          1           0        2.546893    3.697008   -2.604048
     69          1           0       -0.252352    5.133847   -0.695496
     70          1           0        0.001857    6.933702    0.994598
     71          1           0        2.262696    7.597395    1.781332
     72          1           0        4.278857    6.458758    0.870442
     73          1           0        4.034777    4.664756   -0.824665
     74          1           0        3.285807    2.508929    0.142248
     75          1           0        3.728126    1.956993   -1.479536
     76          1           0        2.732182   -0.338113   -0.997719
     77          1           0        1.637199   -0.565389    0.882754
     78          1           0        4.635490    0.593645    1.283652
     79          1           0        5.357849   -0.374535   -1.593154
     80          1           0        5.508955    1.292800   -1.027737
     81          1           0        7.005339   -2.057490   -0.946143
     82          1           0        9.264565   -2.530956   -0.032830
     83          1           0       10.466224   -0.796064    1.287258
     84          1           0        9.407539    1.409418    1.693896
     85          1           0        7.145353    1.890217    0.789275
     86          1           0        4.630695   -1.633937    1.764993
     87          1           0        4.427194   -5.637931    0.577026
     88          1           0        4.468564   -4.882657   -1.083781
     89          1           0        1.656195   -3.430626    1.016187
     90          1           0       -0.714907   -6.300615   -0.984341
     91          1           0       -2.519861    1.038727    2.479115
     92          1           0       -1.197456   -0.924112    0.730034
     93          1           0       -0.420371   -0.930834    2.313275
     94          1           0       -2.148192   -1.191347    2.192900
     95          1           0       -0.578826    1.363958    3.798071
     96          1           0        0.544030    1.230187    2.440505
     97          1           0       -0.481012    2.670013    2.636562
     98          1           0       -4.948404   -0.562006    1.295864
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0634984      0.0256387      0.0194348
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3483.7779080990 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.229058233945     A.U. after   20 cycles
             Convg  =    0.9981D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000040268    0.003492343   -0.000194303
      2        6          -0.000417580   -0.003322627    0.000364142
      3        6          -0.002003033    0.001268646   -0.001861326
      4        6           0.001816987    0.004935342   -0.004776185
      5        7           0.002047028    0.001050412    0.001356236
      6        6          -0.003555796   -0.002193971    0.000454969
      7        6           0.002625963   -0.000468451    0.000328800
      8        7          -0.004597063   -0.000420880   -0.003778053
      9        6           0.001483498    0.000970105    0.001392719
     10        6           0.000389244    0.002081426    0.000572910
     11        8          -0.000334705    0.000208416   -0.000261413
     12        7           0.007933544   -0.004193624    0.003064276
     13        6          -0.002754607    0.000381848   -0.001573596
     14        6           0.001505709   -0.005053007   -0.002414805
     15        8          -0.001738699    0.002742063    0.004056546
     16        7           0.002667627    0.000770260    0.000080494
     17        6          -0.001858114    0.005073780   -0.001814740
     18        6           0.000154338   -0.001240521    0.000658366
     19        6          -0.000123183    0.002427863   -0.000225166
     20        6           0.001173438    0.001310077    0.000012514
     21        6           0.001070341   -0.001358405    0.000084279
     22        6           0.000627826   -0.000716618   -0.000040617
     23        6          -0.001945947    0.000111538    0.000068229
     24        6          -0.002217086   -0.001190360   -0.000336610
     25        6           0.001687245   -0.002094209   -0.000465013
     26        6          -0.001796594    0.003275138   -0.002035665
     27        8           0.003542963   -0.000841917    0.003037914
     28        6           0.000492926   -0.001683255   -0.000699834
     29        6          -0.002238372    0.002871259   -0.000080204
     30        6           0.001949997   -0.001262672   -0.001102917
     31        6          -0.001748771    0.001348352    0.000727819
     32        6           0.000581946    0.002062298   -0.000120982
     33        6          -0.000072740   -0.001269579   -0.000087379
     34        6          -0.001573840   -0.000878776    0.000794180
     35        6           0.001521041    0.000388855   -0.000430843
     36        7           0.002164991    0.004493267   -0.001475769
     37        6           0.000371988   -0.005421773    0.001025179
     38        8          -0.001333468    0.000020189    0.001328948
     39        8           0.002488583   -0.001475001   -0.001003792
     40        6          -0.006088445    0.005644313    0.000002263
     41        6          -0.000926168   -0.005533754   -0.000060476
     42        6          -0.002896016   -0.001995559    0.000538372
     43        7           0.001716063    0.003340720   -0.000173021
     44        6           0.006369629   -0.003182828   -0.000100406
     45       16          -0.003681329    0.004495066   -0.000262934
     46        6           0.000722437    0.002181721    0.000132909
     47        6          -0.000743830   -0.003498229   -0.000117777
     48        6          -0.001890335    0.000676596   -0.002288216
     49        6          -0.001766496    0.000150224   -0.002150370
     50       16           0.002132105   -0.001301243    0.004099130
     51        1           0.000478290   -0.000113544   -0.000122772
     52        1          -0.001397631   -0.000528773    0.000503046
     53        1           0.000542541   -0.001595262    0.000941874
     54        1           0.000242550    0.000822239   -0.000511599
     55        1           0.001136036   -0.001412186    0.000511003
     56        1          -0.000615670   -0.000182943   -0.000140550
     57        1           0.001449663   -0.000152911    0.001229413
     58        1          -0.000373180    0.001097823   -0.000013328
     59        1          -0.000406671    0.000508869   -0.000251422
     60        1          -0.000382355    0.000004011    0.000161590
     61        1           0.000467433   -0.001121919   -0.000044923
     62        1           0.000362168   -0.000643874   -0.000389183
     63        1          -0.002963312    0.002970852   -0.001988750
     64        1          -0.002861986   -0.001448778    0.000767968
     65        1          -0.000513808    0.000261397    0.002867907
     66        1          -0.000251565   -0.001357864    0.002036234
     67        1           0.000163118   -0.000077737   -0.000967190
     68        1          -0.000137900    0.000571419   -0.000695253
     69        1           0.000273501   -0.000077747   -0.000065001
     70        1           0.000347937   -0.000012103   -0.000067853
     71        1           0.000003687   -0.000746948    0.000174819
     72        1           0.000268630    0.000212166   -0.000055208
     73        1           0.000555085   -0.000445551    0.000084458
     74        1           0.002433392    0.000638471    0.001220215
     75        1          -0.001880334   -0.001050903   -0.000453817
     76        1           0.002095145   -0.000683191   -0.000023237
     77        1           0.000576492   -0.000810284   -0.001303509
     78        1          -0.000900965   -0.000918445    0.000084104
     79        1          -0.000057826   -0.001137283    0.000399482
     80        1           0.000220311   -0.000336279   -0.001371883
     81        1          -0.000122222   -0.000419375    0.000152446
     82        1          -0.000025144   -0.000026373    0.000022895
     83        1          -0.000907368   -0.000093234    0.000495166
     84        1           0.000241109   -0.000059807   -0.000138864
     85        1           0.000173840   -0.000402602   -0.000142935
     86        1          -0.001275244    0.000594004    0.000951498
     87        1          -0.000160761    0.000079903    0.000321473
     88        1           0.002008945   -0.000267402    0.000374874
     89        1           0.001875684   -0.001250786    0.000090665
     90        1          -0.000326496    0.001691566    0.000079074
     91        1           0.001392303    0.000191353   -0.000135178
     92        1          -0.001363914    0.000776280   -0.000021608
     93        1          -0.000449633    0.000722394   -0.000108185
     94        1           0.000495885    0.000665548   -0.000218948
     95        1          -0.000512748    0.000325842    0.001552278
     96        1           0.000228003   -0.000372656   -0.001357882
     97        1          -0.000172282    0.000289296   -0.000297903
     98        1          -0.000948241   -0.001851537    0.001615717
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007933544 RMS     0.001794624

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.008371358 RMS     0.001402640
 Search for a local minimum.
 Step number   5 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    4    5
 DE= -8.92D-03 DEPred=-1.07D-02 R= 8.36D-01
 SS=  1.41D+00  RLast= 6.41D-01 DXNew= 1.4270D+00 1.9238D+00
 Trust test= 8.36D-01 RLast= 6.41D-01 DXMaxT set to 1.43D+00
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00314   0.00323   0.00400   0.00485   0.00581
     Eigenvalues ---    0.00608   0.00640   0.00661   0.00762   0.00802
     Eigenvalues ---    0.00860   0.00881   0.00906   0.00925   0.00936
     Eigenvalues ---    0.01030   0.01044   0.01066   0.01083   0.01212
     Eigenvalues ---    0.01224   0.01237   0.01253   0.01265   0.01361
     Eigenvalues ---    0.01387   0.01412   0.01436   0.01454   0.01485
     Eigenvalues ---    0.01555   0.01583   0.01599   0.01610   0.01698
     Eigenvalues ---    0.01749   0.01873   0.01928   0.01959   0.01972
     Eigenvalues ---    0.01995   0.02074   0.02156   0.02194   0.02203
     Eigenvalues ---    0.02205   0.02220   0.02258   0.02269   0.02289
     Eigenvalues ---    0.02329   0.02374   0.02406   0.02408   0.02414
     Eigenvalues ---    0.02448   0.02483   0.02485   0.02527   0.02528
     Eigenvalues ---    0.02622   0.02698   0.02739   0.03584   0.03810
     Eigenvalues ---    0.04086   0.04148   0.04204   0.04266   0.04338
     Eigenvalues ---    0.04480   0.04626   0.04898   0.04948   0.05053
     Eigenvalues ---    0.05121   0.05175   0.05202   0.05275   0.05361
     Eigenvalues ---    0.05417   0.05456   0.05524   0.05567   0.05590
     Eigenvalues ---    0.05602   0.05627   0.05664   0.05798   0.05835
     Eigenvalues ---    0.05879   0.05925   0.06081   0.06168   0.06277
     Eigenvalues ---    0.06549   0.06854   0.07009   0.07312   0.07387
     Eigenvalues ---    0.07735   0.08968   0.09487   0.09731   0.09814
     Eigenvalues ---    0.12135   0.12579   0.12920   0.13067   0.13164
     Eigenvalues ---    0.14159   0.14316   0.15780   0.15985   0.15998
     Eigenvalues ---    0.15998   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16012   0.16125   0.16201   0.16282   0.16780
     Eigenvalues ---    0.16872   0.17034   0.17412   0.17451   0.18044
     Eigenvalues ---    0.18135   0.18294   0.18511   0.19069   0.19578
     Eigenvalues ---    0.20709   0.21878   0.21926   0.21987   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22003   0.22026   0.22032
     Eigenvalues ---    0.22125   0.22452   0.23149   0.23450   0.23484
     Eigenvalues ---    0.23648   0.23736   0.24213   0.24903   0.24962
     Eigenvalues ---    0.24978   0.24993   0.24998   0.24998   0.24999
     Eigenvalues ---    0.24999   0.25000   0.25000   0.25000   0.25062
     Eigenvalues ---    0.25672   0.26370   0.28975   0.29300   0.29578
     Eigenvalues ---    0.29774   0.29901   0.30051   0.30155   0.30267
     Eigenvalues ---    0.30484   0.30713   0.31021   0.31168   0.31340
     Eigenvalues ---    0.31432   0.31454   0.31505   0.31538   0.31582
     Eigenvalues ---    0.31710   0.32017   0.32169   0.32396   0.32448
     Eigenvalues ---    0.32561   0.32728   0.32777   0.32814   0.32823
     Eigenvalues ---    0.32917   0.32988   0.33062   0.33075   0.33089
     Eigenvalues ---    0.33139   0.33187   0.33275   0.33511   0.33546
     Eigenvalues ---    0.33591   0.33645   0.33712   0.33720   0.33950
     Eigenvalues ---    0.33981   0.33994   0.34105   0.34201   0.34243
     Eigenvalues ---    0.34326   0.34348   0.34358   0.34396   0.34479
     Eigenvalues ---    0.34505   0.34666   0.34727   0.35231   0.35967
     Eigenvalues ---    0.36090   0.36258   0.36317   0.36378   0.36638
     Eigenvalues ---    0.36850   0.36959   0.37839   0.38612   0.39319
     Eigenvalues ---    0.39433   0.41565   0.41806   0.42525   0.42615
     Eigenvalues ---    0.43072   0.43248   0.43741   0.44170   0.44494
     Eigenvalues ---    0.45028   0.45142   0.45990   0.47605   0.48349
     Eigenvalues ---    0.48452   0.48514   0.48642   0.49056   0.49616
     Eigenvalues ---    0.50171   0.50577   0.50933   0.51239   0.51397
     Eigenvalues ---    0.56752   0.58206   0.58906   0.63408   0.65278
     Eigenvalues ---    0.75845   0.77893   0.841401000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-1.14116528D-02 EMin= 3.14169746D-03
 Quartic linear search produced a step of  0.22274.
 Iteration  1 RMS(Cart)=  0.31657652 RMS(Int)=  0.01154860
 Iteration  2 RMS(Cart)=  0.07844905 RMS(Int)=  0.00074894
 Iteration  3 RMS(Cart)=  0.00222236 RMS(Int)=  0.00037336
 Iteration  4 RMS(Cart)=  0.00000242 RMS(Int)=  0.00037336
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00037336
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.88848   0.00116  -0.00052   0.00142   0.00090   2.88938
    R2        2.07460   0.00040  -0.00031   0.00088   0.00057   2.07517
    R3        2.07112   0.00067  -0.00139   0.00027  -0.00113   2.06999
    R4        2.06393   0.00184  -0.00036   0.00595   0.00559   2.06951
    R5        2.90245   0.00036  -0.00370  -0.00622  -0.00992   2.89253
    R6        2.83545  -0.00125  -0.00028  -0.00411  -0.00439   2.83107
    R7        2.12608   0.00093   0.00144   0.00495   0.00639   2.13246
    R8        2.06322   0.00176   0.00091   0.00727   0.00818   2.07140
    R9        2.07564   0.00041  -0.00253  -0.00258  -0.00512   2.07053
   R10        2.06788   0.00074   0.00042   0.00307   0.00349   2.07136
   R11        2.49283  -0.00114  -0.00557  -0.01242  -0.01800   2.47484
   R12        3.34204   0.00315   0.00277   0.01191   0.01467   3.35671
   R13        2.66529   0.00339   0.00703   0.01651   0.02354   2.68883
   R14        2.84721   0.00039  -0.00227  -0.00194  -0.00421   2.84300
   R15        2.58696   0.00157  -0.00627  -0.00812  -0.01437   2.57258
   R16        2.78693   0.00085  -0.00218  -0.00312  -0.00530   2.78162
   R17        2.10701   0.00048   0.00186   0.00436   0.00623   2.11324
   R18        2.11526   0.00049   0.00080   0.00259   0.00338   2.11864
   R19        2.80124   0.00051   0.00017   0.00139   0.00156   2.80280
   R20        2.65767  -0.00147   0.00130  -0.00088   0.00042   2.65809
   R21        2.08161  -0.00012  -0.00171  -0.00304  -0.00475   2.07686
   R22        2.08952   0.00055   0.00048   0.00269   0.00317   2.09269
   R23        2.08413   0.00041   0.00036   0.00176   0.00212   2.08625
   R24        2.32136  -0.00007  -0.00074  -0.00056  -0.00129   2.32007
   R25        2.66716  -0.00034   0.00301   0.00488   0.00789   2.67505
   R26        2.78809   0.00215  -0.00256   0.00174  -0.00082   2.78727
   R27        1.90961   0.00192  -0.00119   0.00316   0.00197   1.91158
   R28        2.93056  -0.00569   0.00400  -0.01091  -0.00691   2.92365
   R29        2.93796  -0.00308  -0.00048  -0.01152  -0.01200   2.92596
   R30        2.14128  -0.00035   0.00064  -0.00091  -0.00027   2.14101
   R31        2.30853   0.00178  -0.00115   0.00053  -0.00062   2.30791
   R32        2.63302  -0.00440   0.00103  -0.00772  -0.00669   2.62633
   R33        2.79554  -0.00160   0.00391   0.00232   0.00623   2.80177
   R34        1.91675   0.00042  -0.00298  -0.00352  -0.00650   1.91026
   R35        2.93297   0.00181  -0.00001   0.00586   0.00585   2.93882
   R36        2.91894  -0.00314   0.00274  -0.00536  -0.00262   2.91632
   R37        2.14619  -0.00176  -0.00433  -0.01399  -0.01832   2.12787
   R38        2.84114   0.00045  -0.00038  -0.00025  -0.00063   2.84051
   R39        2.10084   0.00062   0.00119   0.00348   0.00467   2.10551
   R40        2.09185   0.00056  -0.00092   0.00046  -0.00046   2.09139
   R41        2.65282   0.00210  -0.00191   0.00051  -0.00139   2.65143
   R42        2.64640   0.00256  -0.00067   0.00350   0.00283   2.64922
   R43        2.63405   0.00223  -0.00069   0.00280   0.00211   2.63616
   R44        2.06109   0.00017  -0.00037  -0.00058  -0.00095   2.06014
   R45        2.64381   0.00127  -0.00234  -0.00254  -0.00488   2.63893
   R46        2.05818   0.00033   0.00032   0.00109   0.00141   2.05959
   R47        2.63759   0.00173  -0.00017   0.00308   0.00290   2.64050
   R48        2.05303   0.00075  -0.00029   0.00183   0.00154   2.05457
   R49        2.64298   0.00031   0.00076   0.00219   0.00295   2.64593
   R50        2.05891  -0.00035   0.00096   0.00049   0.00145   2.06036
   R51        2.05717  -0.00067   0.00051  -0.00130  -0.00079   2.05638
   R52        2.89058  -0.00035   0.00151   0.00104   0.00255   2.89313
   R53        2.09625  -0.00035  -0.00087  -0.00270  -0.00357   2.09267
   R54        2.09617   0.00158  -0.00184   0.00249   0.00064   2.09681
   R55        2.70997   0.00447   0.00026   0.00852   0.00878   2.71875
   R56        2.95679   0.00205  -0.00667  -0.00647  -0.01313   2.94366
   R57        2.11073  -0.00069  -0.00270  -0.00749  -0.01019   2.10054
   R58        1.85225  -0.00106  -0.00032  -0.00254  -0.00286   1.84939
   R59        2.90539   0.00221   0.00159   0.00813   0.00972   2.91511
   R60        2.80847   0.00199  -0.00001   0.00433   0.00432   2.81279
   R61        2.12234   0.00078  -0.00201  -0.00074  -0.00275   2.11959
   R62        2.84186   0.00025   0.00033   0.00107   0.00140   2.84325
   R63        2.11330  -0.00119  -0.00126  -0.00621  -0.00748   2.10582
   R64        2.09299   0.00135   0.00063   0.00552   0.00615   2.09913
   R65        2.64402   0.00227   0.00032   0.00455   0.00487   2.64889
   R66        2.65544   0.00062  -0.00281  -0.00382  -0.00662   2.64882
   R67        2.64494  -0.00021   0.00070   0.00092   0.00162   2.64657
   R68        2.05985  -0.00044  -0.00117  -0.00337  -0.00454   2.05531
   R69        2.63640   0.00178  -0.00045   0.00263   0.00218   2.63858
   R70        2.05812   0.00001   0.00091   0.00146   0.00237   2.06049
   R71        2.64597   0.00072  -0.00221  -0.00324  -0.00545   2.64052
   R72        2.05244   0.00101  -0.00045   0.00259   0.00214   2.05458
   R73        2.63339   0.00219   0.00129   0.00624   0.00753   2.64091
   R74        2.05806   0.00000  -0.00023  -0.00074  -0.00097   2.05710
   R75        2.05393   0.00043  -0.00113  -0.00062  -0.00175   2.05218
   R76        2.61805  -0.00388   0.00372  -0.00112   0.00260   2.62065
   R77        1.92042   0.00062  -0.00288  -0.00266  -0.00554   1.91488
   R78        2.29244  -0.00109  -0.00244  -0.00495  -0.00739   2.28505
   R79        2.64312   0.00029   0.00651   0.01249   0.01900   2.66211
   R80        2.73487   0.00314   0.00680   0.01853   0.02534   2.76021
   R81        2.79293   0.00095  -0.00120   0.00186   0.00066   2.79359
   R82        2.10500   0.00036   0.00415   0.00845   0.01260   2.11761
   R83        2.10677  -0.00159  -0.00211  -0.00882  -0.01093   2.09584
   R84        2.59002   0.00243  -0.00803  -0.00976  -0.01778   2.57224
   R85        3.27045   0.00396   0.00320   0.01743   0.02064   3.29109
   R86        2.65246   0.00414   0.00715   0.01762   0.02477   2.67723
   R87        2.04603   0.00151  -0.00265   0.00068  -0.00197   2.04406
   R88        2.48583  -0.00131  -0.00498  -0.01144  -0.01643   2.46940
   R89        3.32747   0.00445   0.00273   0.01610   0.01882   3.34629
   R90        2.04475   0.00109   0.00114   0.00628   0.00743   2.05218
   R91        2.90440  -0.00050  -0.00181  -0.00544  -0.00724   2.89716
   R92        2.88991  -0.00005   0.00135   0.00147   0.00282   2.89273
   R93        2.12059   0.00125  -0.00235   0.00023  -0.00212   2.11846
   R94        2.06970   0.00106   0.00034   0.00450   0.00484   2.07454
   R95        2.07159   0.00006  -0.00018   0.00065   0.00047   2.07206
   R96        2.06769   0.00048  -0.00058   0.00078   0.00020   2.06789
   R97        2.06830   0.00113  -0.00189   0.00138  -0.00051   2.06778
   R98        2.08317  -0.00029   0.00136   0.00192   0.00328   2.08645
   R99        2.06957  -0.00004  -0.00135  -0.00224  -0.00359   2.06598
   R100       3.25944   0.00349   0.00309   0.01571   0.01880   3.27824
   R101       2.02608   0.00232   0.00075   0.00952   0.01027   2.03634
    A1        1.93146  -0.00007   0.00108   0.00158   0.00260   1.93406
    A2        1.94895  -0.00026   0.00198   0.00137   0.00329   1.95224
    A3        1.97518   0.00003   0.00100  -0.00012   0.00088   1.97607
    A4        1.85532   0.00067   0.00346   0.01332   0.01667   1.87199
    A5        1.86202  -0.00020  -0.00478  -0.00943  -0.01421   1.84781
    A6        1.88482  -0.00013  -0.00287  -0.00645  -0.00932   1.87550
    A7        1.93605   0.00105  -0.00148   0.00394   0.00226   1.93831
    A8        1.96179  -0.00066   0.00363   0.00199   0.00556   1.96735
    A9        1.89442  -0.00044  -0.01051  -0.02055  -0.03105   1.86337
   A10        1.90799  -0.00012   0.00448   0.00694   0.01131   1.91930
   A11        1.89191  -0.00016   0.00113   0.00216   0.00298   1.89489
   A12        1.86921   0.00032   0.00298   0.00532   0.00826   1.87747
   A13        1.95057   0.00075  -0.00093   0.00160   0.00064   1.95120
   A14        1.94902  -0.00063   0.00336   0.00142   0.00470   1.95372
   A15        1.93398   0.00027   0.00044   0.00218   0.00249   1.93647
   A16        1.87463  -0.00011  -0.00076  -0.00176  -0.00251   1.87212
   A17        1.89770  -0.00100  -0.00666  -0.01895  -0.02568   1.87202
   A18        1.85410   0.00069   0.00470   0.01548   0.02001   1.87411
   A19        2.17027   0.00269   0.00288   0.01780   0.02066   2.19093
   A20        2.15244  -0.00208  -0.00352  -0.01283  -0.01636   2.13607
   A21        1.96043  -0.00061   0.00063  -0.00504  -0.00444   1.95599
   A22        1.95258   0.00130   0.00105   0.00927   0.01032   1.96290
   A23        2.07004  -0.00209  -0.00265  -0.01333  -0.01600   2.05404
   A24        2.01278  -0.00036  -0.00222  -0.00424  -0.00644   2.00633
   A25        2.20035   0.00245   0.00489   0.01759   0.02246   2.22281
   A26        1.93610   0.00047   0.00282   0.00725   0.01004   1.94614
   A27        1.92520  -0.00034   0.00500   0.00605   0.01107   1.93627
   A28        1.91525   0.00008   0.00221   0.00572   0.00794   1.92318
   A29        1.92729   0.00023  -0.00433  -0.00438  -0.00886   1.91843
   A30        1.90343  -0.00001  -0.00194  -0.00269  -0.00477   1.89866
   A31        1.85472  -0.00047  -0.00394  -0.01282  -0.01691   1.83781
   A32        2.05005   0.00003  -0.00124  -0.00316  -0.00500   2.04505
   A33        2.18137  -0.00035   0.00269   0.00208   0.00413   2.18550
   A34        2.05039   0.00027  -0.00173  -0.00157  -0.00389   2.04649
   A35        1.93218  -0.00045   0.00049  -0.00104  -0.00059   1.93159
   A36        1.91682   0.00020   0.00016   0.00125   0.00137   1.91819
   A37        1.93109   0.00058   0.00074   0.00381   0.00451   1.93560
   A38        1.89227   0.00036   0.00389   0.00937   0.01323   1.90551
   A39        1.89060   0.00021   0.00259   0.00653   0.00908   1.89968
   A40        1.90004  -0.00091  -0.00786  -0.02009  -0.02799   1.87205
   A41        2.11881  -0.00041   0.00243   0.00190   0.00433   2.12314
   A42        2.05211   0.00082  -0.00326  -0.00163  -0.00489   2.04722
   A43        2.11215  -0.00041   0.00083  -0.00034   0.00049   2.11264
   A44        2.07327  -0.00002   0.00073  -0.00266  -0.00565   2.06763
   A45        2.14700  -0.00018  -0.00222  -0.00999  -0.01601   2.13099
   A46        2.04694  -0.00015  -0.00150  -0.00830  -0.01364   2.03330
   A47        1.87191   0.00334  -0.00241   0.01456   0.01235   1.88427
   A48        1.90516   0.00354   0.00035   0.01852   0.01897   1.92413
   A49        1.86169  -0.00110   0.00102   0.01699   0.01794   1.87963
   A50        2.00514  -0.00837   0.00702  -0.04047  -0.03365   1.97149
   A51        1.90326   0.00179  -0.00430  -0.00334  -0.00811   1.89515
   A52        1.91110   0.00129  -0.00199  -0.00179  -0.00436   1.90674
   A53        2.14027   0.00222  -0.00035   0.01097   0.00820   2.14846
   A54        2.03567  -0.00557  -0.00146  -0.01833  -0.02221   2.01345
   A55        2.10268   0.00365   0.00087   0.01995   0.01838   2.12105
   A56        2.11011   0.00087  -0.00258   0.00057  -0.00316   2.10695
   A57        2.13934  -0.00129   0.00676   0.00402   0.00962   2.14896
   A58        2.03346   0.00048  -0.00424  -0.00253  -0.00790   2.02556
   A59        1.90691   0.00361  -0.00543   0.01018   0.00442   1.91133
   A60        1.98422  -0.00739  -0.00060  -0.04915  -0.04989   1.93433
   A61        1.87973   0.00094   0.00182   0.00249   0.00414   1.88387
   A62        1.92740   0.00305  -0.00317   0.01101   0.00737   1.93477
   A63        1.86538  -0.00109   0.00591   0.02221   0.02792   1.89330
   A64        1.89584   0.00113   0.00230   0.00731   0.00921   1.90505
   A65        1.98627   0.00106   0.00301   0.01103   0.01397   2.00024
   A66        1.88118   0.00007  -0.00293  -0.00217  -0.00510   1.87608
   A67        1.90834  -0.00021   0.00026   0.00051   0.00060   1.90893
   A68        1.91980  -0.00048  -0.00008  -0.00292  -0.00296   1.91684
   A69        1.92493  -0.00028   0.00259   0.00260   0.00507   1.93000
   A70        1.83690  -0.00026  -0.00339  -0.01088  -0.01429   1.82261
   A71        2.09161   0.00044  -0.00022   0.00128   0.00104   2.09265
   A72        2.10476   0.00011  -0.00185  -0.00233  -0.00421   2.10055
   A73        2.08681  -0.00055   0.00209   0.00105   0.00313   2.08994
   A74        2.09667  -0.00003  -0.00131  -0.00123  -0.00253   2.09414
   A75        2.09208   0.00026   0.00045   0.00173   0.00217   2.09425
   A76        2.09442  -0.00023   0.00086  -0.00050   0.00035   2.09478
   A77        2.09867  -0.00003   0.00087   0.00167   0.00254   2.10120
   A78        2.09251  -0.00010  -0.00025  -0.00103  -0.00128   2.09123
   A79        2.09201   0.00013  -0.00063  -0.00063  -0.00126   2.09075
   A80        2.08999   0.00002   0.00016  -0.00033  -0.00017   2.08982
   A81        2.09391   0.00014   0.00105   0.00250   0.00354   2.09746
   A82        2.09926  -0.00016  -0.00121  -0.00217  -0.00338   2.09588
   A83        2.09875   0.00026  -0.00008   0.00049   0.00041   2.09916
   A84        2.09428  -0.00014   0.00124   0.00128   0.00252   2.09680
   A85        2.09015  -0.00012  -0.00116  -0.00177  -0.00293   2.08721
   A86        2.09546   0.00032  -0.00174  -0.00167  -0.00341   2.09205
   A87        2.09694   0.00009  -0.00162  -0.00161  -0.00324   2.09371
   A88        2.09071  -0.00042   0.00335   0.00328   0.00663   2.09733
   A89        2.00156  -0.00733   0.00214  -0.03191  -0.02996   1.97160
   A90        1.92837   0.00185   0.00074  -0.00350  -0.00321   1.92515
   A91        1.86487   0.00264  -0.00573   0.01221   0.00672   1.87159
   A92        1.92192   0.00141   0.00037  -0.00654  -0.00662   1.91529
   A93        1.89308   0.00274   0.00034   0.02219   0.02264   1.91571
   A94        1.84633  -0.00076   0.00199   0.01248   0.01445   1.86078
   A95        1.87856  -0.00244  -0.00465  -0.02353  -0.02821   1.85035
   A96        1.95998   0.00077   0.00096   0.00737   0.00804   1.96803
   A97        1.94506  -0.00001   0.00243   0.00180   0.00387   1.94893
   A98        1.82282   0.00167  -0.00474   0.00196  -0.00275   1.82007
   A99        1.93211  -0.00006   0.00124  -0.00381  -0.00259   1.92952
   A100       1.92124   0.00011   0.00427   0.01507   0.01918   1.94042
   A101       1.92650   0.00020   0.00152   0.00352   0.00504   1.93154
   A102       1.95172   0.00049  -0.00210  -0.00057  -0.00273   1.94899
   A103       1.90348  -0.00003  -0.00179  -0.00446  -0.00631   1.89717
   A104       1.88006   0.00023   0.00750   0.01671   0.02425   1.90431
   A105       1.94280  -0.00053  -0.00064  -0.00501  -0.00574   1.93706
   A106       1.92827  -0.00036  -0.00202  -0.00708  -0.00912   1.91915
   A107       1.85387   0.00022  -0.00056   0.00119   0.00058   1.85445
   A108       1.95640  -0.00065   0.00084  -0.00221  -0.00145   1.95495
   A109       1.90859   0.00043   0.00034   0.00360   0.00386   1.91245
   A110       1.91519   0.00014  -0.00493  -0.00720  -0.01216   1.90302
   A111       1.92800   0.00018   0.00479   0.00836   0.01311   1.94112
   A112       1.91744   0.00016  -0.00059  -0.00064  -0.00130   1.91614
   A113       1.83430  -0.00023  -0.00047  -0.00194  -0.00242   1.83189
   A114       2.10137  -0.00003  -0.00343  -0.00531  -0.00874   2.09262
   A115       2.09151   0.00045   0.00053   0.00292   0.00345   2.09496
   A116       2.09031  -0.00042   0.00289   0.00239   0.00529   2.09560
   A117       2.09331   0.00044  -0.00289  -0.00269  -0.00557   2.08774
   A118       2.09688  -0.00012   0.00041   0.00009   0.00049   2.09737
   A119       2.09299  -0.00032   0.00248   0.00261   0.00508   2.09807
   A120       2.09871   0.00008   0.00090   0.00155   0.00245   2.10116
   A121       2.08861   0.00000  -0.00130  -0.00152  -0.00282   2.08579
   A122       2.09586  -0.00008   0.00040  -0.00003   0.00037   2.09624
   A123       2.09158  -0.00018   0.00025  -0.00090  -0.00065   2.09093
   A124       2.09988  -0.00016   0.00058   0.00011   0.00069   2.10057
   A125       2.09173   0.00034  -0.00083   0.00079  -0.00004   2.09169
   A126       2.09785   0.00010   0.00024   0.00144   0.00168   2.09953
   A127       2.08880   0.00024  -0.00005   0.00100   0.00096   2.08976
   A128       2.09653  -0.00034  -0.00019  -0.00245  -0.00264   2.09390
   A129       2.09461  -0.00004  -0.00140  -0.00179  -0.00319   2.09142
   A130       2.09438   0.00018   0.00468   0.00787   0.01255   2.10693
   A131       2.09420  -0.00014  -0.00328  -0.00608  -0.00936   2.08483
   A132       2.12457   0.00040  -0.00150  -0.00069  -0.00245   2.12212
   A133       2.05315   0.00087  -0.00186   0.00230   0.00018   2.05333
   A134       2.10402  -0.00130   0.00315  -0.00338  -0.00049   2.10353
   A135       2.25132  -0.00038   0.00591   0.00751   0.01338   2.26470
   A136       1.86627   0.00309  -0.00753   0.00237  -0.00520   1.86107
   A137       2.16548  -0.00269   0.00161  -0.00966  -0.00809   2.15739
   A138       2.03763  -0.00142  -0.00647  -0.01498  -0.02145   2.01617
   A139       1.96237  -0.00459  -0.00599  -0.03459  -0.04064   1.92173
   A140       1.75075   0.00194  -0.01098  -0.00378  -0.01492   1.73583
   A141       1.89417   0.00155  -0.00187   0.00049  -0.00113   1.89304
   A142       1.95402   0.00040   0.00311   0.00805   0.01018   1.96420
   A143       1.97109   0.00063   0.00911   0.01302   0.02163   1.99272
   A144       1.91867   0.00024   0.00508   0.01506   0.01938   1.93805
   A145       2.24964   0.00182   0.00210   0.01074   0.01283   2.26247
   A146       2.12130  -0.00080  -0.00561  -0.01166  -0.01728   2.10402
   A147       1.91215  -0.00102   0.00350   0.00093   0.00446   1.91661
   A148       2.01320  -0.00016  -0.00269  -0.00407  -0.00675   2.00645
   A149       2.18921   0.00179   0.00595   0.01989   0.02583   2.21504
   A150       2.08076  -0.00164  -0.00326  -0.01580  -0.01908   2.06168
   A151       1.95010   0.00119   0.00131   0.00974   0.01104   1.96114
   A152       1.97156  -0.00050   0.00031  -0.00595  -0.00565   1.96590
   A153       2.17293   0.00161   0.00564   0.02117   0.02682   2.19975
   A154       2.13869  -0.00111  -0.00595  -0.01523  -0.02116   2.11753
   A155       1.57776   0.00049  -0.00244  -0.00065  -0.00309   1.57467
   A156       1.96043   0.00141  -0.00148  -0.00435  -0.00621   1.95422
   A157       1.95129  -0.00290  -0.00172  -0.02823  -0.03006   1.92123
   A158       1.84450   0.00062  -0.00098   0.01072   0.00993   1.85444
   A159       1.95496  -0.00029   0.00337  -0.00549  -0.00262   1.95234
   A160       1.87877  -0.00012   0.00082   0.01338   0.01414   1.89291
   A161       1.86629   0.00147  -0.00007   0.01824   0.01822   1.88450
   A162       1.96592   0.00072   0.00208   0.00648   0.00856   1.97448
   A163       1.94736   0.00078   0.00143   0.00685   0.00822   1.95558
   A164       1.94549  -0.00012   0.00218   0.00297   0.00509   1.95057
   A165       1.87064  -0.00114  -0.00410  -0.01483  -0.01892   1.85172
   A166       1.87527  -0.00034  -0.00342  -0.00734  -0.01077   1.86450
   A167       1.85331  -0.00002   0.00148   0.00471   0.00608   1.85939
   A168       1.93348   0.00005  -0.00038   0.00175   0.00136   1.93484
   A169       1.95330  -0.00001  -0.00210  -0.00442  -0.00658   1.94672
   A170       1.96442  -0.00033  -0.00105  -0.00477  -0.00587   1.95855
   A171       1.86882   0.00008  -0.00092  -0.00004  -0.00097   1.86785
   A172       1.85280   0.00064   0.00441   0.01418   0.01859   1.87139
   A173       1.88561  -0.00039   0.00041  -0.00570  -0.00538   1.88023
   A174       1.91426  -0.00081   0.00256  -0.00016   0.00242   1.91668
   A175       2.22548   0.00163   0.00275   0.01385   0.01658   2.24206
   A176       2.14334  -0.00082  -0.00533  -0.01374  -0.01908   2.12426
   A177       1.58471   0.00048  -0.00203   0.00017  -0.00185   1.58286
    D1        0.85184   0.00006  -0.00352   0.00615   0.00268   0.85452
    D2        2.99397   0.00020   0.00375   0.01950   0.02322   3.01719
    D3       -1.22496  -0.00009   0.00288   0.01396   0.01672  -1.20823
    D4        2.91493   0.00070   0.00270   0.02474   0.02756   2.94248
    D5       -1.22613   0.00083   0.00998   0.03809   0.04810  -1.17803
    D6        0.83813   0.00054   0.00911   0.03255   0.04160   0.87973
    D7       -1.23703   0.00035   0.00116   0.01720   0.01844  -1.21858
    D8        0.90510   0.00048   0.00843   0.03055   0.03899   0.94409
    D9        2.96936   0.00020   0.00756   0.02502   0.03249   3.00185
   D10        0.78276   0.00004   0.00744   0.02427   0.03176   0.81452
   D11        2.88321  -0.00002   0.00816   0.02412   0.03227   2.91548
   D12       -1.33673   0.00061   0.01637   0.04587   0.06230  -1.27443
   D13       -1.39021   0.00025   0.00076   0.01414   0.01492  -1.37529
   D14        0.71024   0.00019   0.00148   0.01398   0.01543   0.72567
   D15        2.77349   0.00082   0.00969   0.03574   0.04547   2.81895
   D16        2.86107   0.00003  -0.00573   0.00280  -0.00296   2.85810
   D17       -1.32167  -0.00003  -0.00501   0.00265  -0.00246  -1.32412
   D18        0.74158   0.00060   0.00320   0.02440   0.02758   0.76916
   D19        2.69329  -0.00066  -0.00506  -0.02094  -0.02605   2.66724
   D20       -0.45942  -0.00075  -0.00863  -0.02891  -0.03760  -0.49702
   D21       -1.43205   0.00014  -0.00136  -0.00943  -0.01076  -1.44281
   D22        1.69844   0.00005  -0.00493  -0.01740  -0.02232   1.67612
   D23        0.61423   0.00006   0.00380  -0.00028   0.00357   0.61779
   D24       -2.53848  -0.00004   0.00023  -0.00825  -0.00799  -2.54647
   D25        3.12890  -0.00009  -0.00327  -0.00704  -0.01044   3.11846
   D26       -0.00266   0.00001  -0.00006   0.00022   0.00018  -0.00248
   D27       -3.13225   0.00008   0.00313   0.00750   0.01046  -3.12180
   D28       -0.00058   0.00002  -0.00006   0.00053   0.00047  -0.00011
   D29       -3.13119  -0.00012  -0.00177  -0.00597  -0.00760  -3.13880
   D30        0.00577  -0.00005   0.00020  -0.00113  -0.00097   0.00480
   D31        1.83044   0.00028   0.00504   0.02404   0.02906   1.85949
   D32       -2.31160   0.00066   0.00485   0.02763   0.03252  -2.27908
   D33       -0.27395  -0.00007   0.00425   0.01898   0.02319  -0.25076
   D34       -1.30599   0.00021   0.00291   0.01871   0.02160  -1.28439
   D35        0.83516   0.00058   0.00271   0.02229   0.02506   0.86023
   D36        2.87281  -0.00014   0.00212   0.01365   0.01574   2.88854
   D37       -0.00606   0.00007  -0.00024   0.00154   0.00133  -0.00473
   D38       -3.13266   0.00014   0.00129   0.00534   0.00667  -3.12599
   D39        3.13051   0.00013   0.00183   0.00669   0.00859   3.13910
   D40        0.00391   0.00020   0.00336   0.01049   0.01392   0.01783
   D41       -1.46433   0.00032   0.00459   0.02341   0.02804  -1.43629
   D42        1.61923  -0.00072  -0.00420  -0.03220  -0.03648   1.58275
   D43        2.67892   0.00027  -0.00074   0.01376   0.01320   2.69212
   D44       -0.52070  -0.00077  -0.00953  -0.04184  -0.05132  -0.57202
   D45        0.64704   0.00071   0.00786   0.03335   0.04118   0.68823
   D46       -2.55257  -0.00032  -0.00093  -0.02225  -0.02334  -2.57591
   D47       -0.52514  -0.00072  -0.00635  -0.03926  -0.04547  -0.57061
   D48       -2.61416  -0.00102  -0.01156  -0.05103  -0.06245  -2.67661
   D49        1.57104  -0.00038  -0.00233  -0.02927  -0.03145   1.53959
   D50        2.67003   0.00025   0.00171   0.01196   0.01352   2.68355
   D51        0.58101  -0.00004  -0.00350   0.00018  -0.00346   0.57755
   D52       -1.51697   0.00059   0.00574   0.02195   0.02754  -1.48943
   D53       -3.10514  -0.00022  -0.00400  -0.01036  -0.01428  -3.11942
   D54        0.02036  -0.00037  -0.00392  -0.01513  -0.01898   0.00138
   D55       -0.02158  -0.00126  -0.01279  -0.06602  -0.07888  -0.10046
   D56        3.10392  -0.00141  -0.01271  -0.07079  -0.08358   3.02034
   D57        3.02156  -0.00120  -0.01811  -0.07487  -0.09264   2.92892
   D58        0.07646   0.00096   0.00825   0.05347   0.06138   0.13784
   D59       -0.13606  -0.00135  -0.01801  -0.07959  -0.09727  -0.23333
   D60       -3.08116   0.00081   0.00835   0.04874   0.05675  -3.02441
   D61       -1.69859  -0.00275   0.00455  -0.00738  -0.00298  -1.70157
   D62        2.40196   0.00318  -0.00274   0.02144   0.01858   2.42054
   D63        0.33865   0.00041  -0.00113   0.00438   0.00304   0.34169
   D64        1.25775  -0.00480  -0.02035  -0.12861  -0.14879   1.10896
   D65       -0.92488   0.00114  -0.02764  -0.09979  -0.12723  -1.05211
   D66       -2.98819  -0.00163  -0.02603  -0.11685  -0.14277  -3.13096
   D67       -0.24287  -0.00297  -0.01948  -0.14821  -0.16752  -0.41039
   D68        2.79635   0.00065  -0.03590  -0.00688  -0.04289   2.75347
   D69        1.87815  -0.00142  -0.01627  -0.14009  -0.15635   1.72180
   D70       -1.36582   0.00220  -0.03269   0.00125  -0.03172  -1.39754
   D71       -2.25257  -0.00434  -0.01713  -0.17412  -0.19100  -2.44357
   D72        0.78665  -0.00072  -0.03355  -0.03279  -0.06637   0.72028
   D73        1.09286   0.00109   0.00884   0.03345   0.04213   1.13500
   D74       -2.97526  -0.00052   0.01079  -0.00046   0.01040  -2.96486
   D75       -0.95103   0.00012   0.00924   0.01317   0.02236  -0.92867
   D76       -1.00995  -0.00020   0.00703   0.02823   0.03528  -0.97467
   D77        1.20511  -0.00181   0.00898  -0.00568   0.00355   1.20866
   D78       -3.05384  -0.00117   0.00743   0.00795   0.01550  -3.03834
   D79        3.12495   0.00250   0.00914   0.06338   0.07232  -3.08592
   D80       -0.94318   0.00089   0.01109   0.02947   0.04059  -0.90259
   D81        1.08106   0.00153   0.00953   0.04310   0.05254   1.13360
   D82       -3.02143  -0.00465   0.02715  -0.15724  -0.13047   3.13128
   D83        0.09408  -0.00188   0.02026  -0.05922  -0.03895   0.05513
   D84        0.02013  -0.00119   0.01109  -0.01964  -0.00857   0.01156
   D85        3.13564   0.00158   0.00420   0.07838   0.08296  -3.06458
   D86        2.02398   0.00077  -0.00523   0.03772   0.03219   2.05617
   D87       -2.09755   0.00223  -0.01418   0.02472   0.01045  -2.08710
   D88        0.00388  -0.00033  -0.01041   0.00482  -0.00569  -0.00181
   D89       -1.09305  -0.00180   0.00129  -0.05468  -0.05337  -1.14642
   D90        1.06861  -0.00035  -0.00767  -0.06768  -0.07512   0.99349
   D91       -3.11315  -0.00291  -0.00390  -0.08758  -0.09125   3.07878
   D92        0.96571  -0.00218  -0.00185  -0.00842  -0.01038   0.95533
   D93       -1.16843  -0.00232  -0.00163  -0.01038  -0.01209  -1.18052
   D94        3.12670  -0.00195   0.00381   0.00328   0.00700   3.13370
   D95       -1.22908   0.00254   0.00531   0.03934   0.04475  -1.18432
   D96        2.91997   0.00240   0.00552   0.03738   0.04305   2.96302
   D97        0.93191   0.00277   0.01096   0.05105   0.06214   0.99405
   D98        2.99497   0.00018   0.00081   0.01169   0.01244   3.00741
   D99        0.86083   0.00004   0.00102   0.00973   0.01074   0.87157
   D100      -1.12723   0.00041   0.00646   0.02339   0.02983  -1.09740
   D101       1.11739  -0.00281   0.01142  -0.02840  -0.01698   1.10041
   D102      -1.06698  -0.00052   0.00869   0.00822   0.01678  -1.05019
   D103      -3.06749  -0.00201   0.00912  -0.01146  -0.00240  -3.06989
   D104      -3.01530  -0.00112   0.00120  -0.04255  -0.04124  -3.05653
   D105       1.08353   0.00116  -0.00153  -0.00593  -0.00748   1.07605
   D106      -0.91699  -0.00033  -0.00110  -0.02561  -0.02666  -0.94365
   D107      -0.97494  -0.00005   0.00791  -0.00517   0.00281  -0.97213
   D108       3.12389   0.00224   0.00518   0.03145   0.03657  -3.12273
   D109       1.12337   0.00075   0.00561   0.01176   0.01739   1.14076
   D110      -1.60149   0.00007   0.00449   0.01212   0.01667  -1.58482
   D111       1.53914   0.00023   0.00722   0.02087   0.02812   1.56725
   D112       0.51122   0.00054   0.00273   0.01479   0.01755   0.52877
   D113      -2.63134   0.00070   0.00546   0.02354   0.02900  -2.60235
   D114       2.52972  -0.00021   0.00008   0.00138   0.00142   2.53114
   D115      -0.61284  -0.00005   0.00280   0.01013   0.01286  -0.59997
   D116       3.13456   0.00012   0.00159   0.00569   0.00731  -3.14132
   D117      -0.01180   0.00007   0.00174   0.00464   0.00640  -0.00540
   D118      -0.00607  -0.00004  -0.00108  -0.00297  -0.00406  -0.01014
   D119       3.13075  -0.00009  -0.00093  -0.00402  -0.00497   3.12578
   D120      -3.13438  -0.00010  -0.00169  -0.00542  -0.00710  -3.14148
   D121       0.02026  -0.00013  -0.00073  -0.00500  -0.00573   0.01453
   D122       0.00624   0.00006   0.00101   0.00330   0.00432   0.01057
   D123      -3.12230   0.00003   0.00198   0.00372   0.00569  -3.11660
   D124       0.00123   0.00000   0.00036   0.00058   0.00094   0.00217
   D125       3.13976  -0.00002   0.00002  -0.00028  -0.00027   3.13949
   D126      -3.13559   0.00005   0.00022   0.00162   0.00184  -3.13374
   D127       0.00295   0.00003  -0.00013   0.00076   0.00063   0.00358
   D128       0.00346   0.00003   0.00042   0.00148   0.00189   0.00536
   D129       3.13828   0.00004  -0.00022   0.00096   0.00073   3.13901
   D130      -3.13507   0.00005   0.00077   0.00234   0.00311  -3.13196
   D131      -0.00025   0.00006   0.00012   0.00182   0.00194   0.00169
   D132      -0.00329  -0.00002  -0.00048  -0.00113  -0.00162  -0.00491
   D133       3.13494  -0.00002  -0.00131  -0.00235  -0.00366   3.13128
   D134      -3.13809  -0.00003   0.00016  -0.00063  -0.00048  -3.13856
   D135       0.00014  -0.00003  -0.00067  -0.00185  -0.00252  -0.00238
   D136      -0.00158  -0.00003  -0.00023  -0.00126  -0.00149  -0.00307
   D137       3.12701   0.00000  -0.00122  -0.00172  -0.00293   3.12407
   D138      -3.13982  -0.00003   0.00059  -0.00006   0.00053  -3.13928
   D139      -0.01123   0.00000  -0.00040  -0.00051  -0.00092  -0.01214
   D140      -1.16707   0.00110  -0.01918  -0.03039  -0.04974  -1.21681
   D141       3.11938   0.00013  -0.01113  -0.02271  -0.03399   3.08540
   D142       0.95452  -0.00058  -0.01918  -0.04944  -0.06876   0.88576
   D143       1.02067  -0.00093  -0.01627  -0.06521  -0.08142   0.93924
   D144      -0.97606  -0.00190  -0.00822  -0.05753  -0.06567  -1.04173
   D145      -3.14092  -0.00261  -0.01626  -0.08426  -0.10044   3.04182
   D146       3.03350   0.00048  -0.01350  -0.04134  -0.05478   2.97872
   D147       1.03677  -0.00049  -0.00545  -0.03366  -0.03903   0.99774
   D148      -1.12809  -0.00120  -0.01349  -0.06039  -0.07381  -1.20190
   D149       2.38242  -0.00145  -0.00361  -0.03460  -0.03828   2.34414
   D150      -1.81446  -0.00088  -0.00735  -0.03631  -0.04353  -1.85798
   D151       0.25277   0.00017  -0.00437  -0.01932  -0.02376   0.22901
   D152      -0.97391  -0.00111  -0.01230  -0.04011  -0.05249  -1.02640
   D153      -3.13023  -0.00074  -0.00871  -0.03017  -0.03898   3.11398
   D154       1.14803  -0.00110  -0.01110  -0.03812  -0.04930   1.09873
   D155      -3.00443   0.00044  -0.00440  -0.01695  -0.02134  -3.02577
   D156       1.12244   0.00080  -0.00082  -0.00701  -0.00783   1.11461
   D157      -0.88249   0.00045  -0.00320  -0.01496  -0.01814  -0.90064
   D158       1.20414  -0.00048  -0.00538  -0.02103  -0.02633   1.17780
   D159      -0.95218  -0.00011  -0.00180  -0.01110  -0.01282  -0.96501
   D160      -2.95711  -0.00047  -0.00418  -0.01905  -0.02314  -2.98025
   D161       3.08616  -0.00010  -0.00197  -0.00827  -0.01025   3.07592
   D162      -1.05275  -0.00001   0.00489   0.00345   0.00832  -1.04443
   D163       0.95070   0.00004   0.00175  -0.00085   0.00086   0.95156
   D164      -1.06305  -0.00018  -0.00630  -0.01806  -0.02435  -1.08740
   D165       1.08123  -0.00009   0.00056  -0.00634  -0.00579   1.07544
   D166       3.08467  -0.00004  -0.00258  -0.01064  -0.01324   3.07143
   D167       0.99227  -0.00047  -0.00871  -0.02424  -0.03290   0.95937
   D168       3.13654  -0.00038  -0.00184  -0.01252  -0.01433   3.12221
   D169      -1.14320  -0.00033  -0.00498  -0.01681  -0.02179  -1.16498
   D170       1.11749   0.00022  -0.00450   0.00038  -0.00412   1.11337
   D171      -2.08155  -0.00050  -0.00995  -0.03469  -0.04461  -2.12616
   D172      -1.04412  -0.00002  -0.00009   0.00763   0.00750  -1.03661
   D173       2.04003  -0.00074  -0.00555  -0.02744  -0.03299   2.00704
   D174       3.13928   0.00058   0.00308   0.01831   0.02138  -3.12253
   D175      -0.05976  -0.00013  -0.00238  -0.01676  -0.01912  -0.07888
   D176       1.67324   0.00030   0.00642   0.01834   0.02480   1.69804
   D177      -1.47012   0.00033   0.00640   0.01963   0.02606  -1.44407
   D178      -0.46001   0.00007   0.00209   0.00928   0.01134  -0.44866
   D179       2.67981   0.00010   0.00206   0.01057   0.01260   2.69241
   D180      -2.47576   0.00014   0.00025   0.00718   0.00743  -2.46833
   D181       0.66406   0.00018   0.00022   0.00847   0.00869   0.67275
   D182       3.14139   0.00002   0.00002   0.00066   0.00067  -3.14112
   D183       0.00488  -0.00003  -0.00034  -0.00138  -0.00172   0.00316
   D184       0.00158  -0.00002   0.00005  -0.00063  -0.00058   0.00099
   D185      -3.13494  -0.00007  -0.00031  -0.00267  -0.00297  -3.13791
   D186      -3.14079  -0.00002  -0.00004  -0.00068  -0.00072  -3.14151
   D187      -0.00026  -0.00002   0.00002  -0.00070  -0.00068  -0.00094
   D188      -0.00096   0.00002  -0.00007   0.00059   0.00052  -0.00044
   D189       3.13957   0.00002  -0.00001   0.00057   0.00057   3.14014
   D190      -0.00070   0.00001   0.00004   0.00028   0.00032  -0.00038
   D191      -3.14071  -0.00001  -0.00012  -0.00056  -0.00068  -3.14139
   D192       3.13583   0.00006   0.00039   0.00231   0.00270   3.13852
   D193      -0.00419   0.00004   0.00023   0.00147   0.00170  -0.00249
   D194      -0.00079   0.00001  -0.00010   0.00011   0.00001  -0.00078
   D195      -3.14034  -0.00001   0.00005  -0.00013  -0.00008  -3.14042
   D196       3.13922   0.00003   0.00006   0.00095   0.00101   3.14023
   D197      -0.00033   0.00001   0.00021   0.00071   0.00092   0.00058
   D198       0.00141  -0.00001   0.00007  -0.00014  -0.00007   0.00134
   D199      -3.13897  -0.00001   0.00011  -0.00020  -0.00010  -3.13906
   D200       3.14097   0.00001  -0.00007   0.00009   0.00002   3.14099
   D201       0.00060   0.00000  -0.00003   0.00003   0.00000   0.00059
   D202      -0.00053  -0.00001   0.00001  -0.00021  -0.00020  -0.00073
   D203      -3.14106   0.00000  -0.00006  -0.00020  -0.00026  -3.14132
   D204       3.13984   0.00000  -0.00002  -0.00014  -0.00017   3.13967
   D205      -0.00069   0.00000  -0.00009  -0.00013  -0.00023  -0.00092
   D206      -0.06440  -0.00012  -0.00861  -0.01749  -0.02610  -0.09050
   D207       3.09320  -0.00075  -0.00262  -0.03216  -0.03480   3.05840
   D208       3.13629   0.00054  -0.00290   0.01840   0.01553  -3.13137
   D209       0.01070  -0.00008   0.00309   0.00374   0.00683   0.01753
   D210       2.99227  -0.00115  -0.02045  -0.06355  -0.08401   2.90826
   D211      -0.13430  -0.00176  -0.01479  -0.07750  -0.09228  -0.22658
   D212      -1.34655  -0.00118  -0.02385  -0.07418  -0.09774  -1.44429
   D213       2.85801  -0.00074  -0.01792  -0.06626  -0.08465   2.77336
   D214       0.84669  -0.00246  -0.01770  -0.08149  -0.09901   0.74768
   D215      -0.11983  -0.00067  -0.00099  -0.02478  -0.02588  -0.14571
   D216       3.03854  -0.00071  -0.00013  -0.02622  -0.02646   3.01208
   D217       1.83563  -0.00079  -0.01649  -0.04539  -0.06218   1.77345
   D218      -1.28919  -0.00083  -0.01563  -0.04683  -0.06277  -1.35195
   D219      -2.27062   0.00034  -0.00101  -0.00861  -0.00921  -2.27983
   D220       0.88776   0.00031  -0.00015  -0.01005  -0.00980   0.87796
   D221      -3.12241  -0.00012   0.00116  -0.00300  -0.00183  -3.12424
   D222       0.01276  -0.00010   0.00129  -0.00172  -0.00041   0.01235
   D223       0.00400  -0.00009   0.00033  -0.00181  -0.00147   0.00253
   D224       3.13918  -0.00007   0.00046  -0.00053  -0.00006   3.13912
   D225       3.12404   0.00010  -0.00114   0.00187   0.00075   3.12479
   D226      -0.00369   0.00004  -0.00043   0.00056   0.00014  -0.00355
   D227      -0.00199   0.00009   0.00001   0.00247   0.00249   0.00049
   D228      -3.13760   0.00006  -0.00015   0.00114   0.00103  -3.13656
   D229      -0.00100  -0.00006  -0.00035  -0.00194  -0.00228  -0.00328
   D230      -3.14017  -0.00005  -0.00015  -0.00185  -0.00200   3.14101
   D231       0.00276   0.00001   0.00045   0.00080   0.00124   0.00401
   D232      -3.14120   0.00001   0.00027   0.00077   0.00105  -3.14015
   D233       0.14228  -0.00113   0.00201  -0.00427  -0.00230   0.13999
   D234       2.24718  -0.00153  -0.00079  -0.01395  -0.01482   2.23236
   D235      -1.96725  -0.00111   0.00341  -0.00149   0.00190  -1.96535
   D236      -2.07080   0.00188   0.00278   0.04191   0.04475  -2.02605
   D237       0.03409   0.00148  -0.00002   0.03222   0.03222   0.06632
   D238       2.10285   0.00190   0.00418   0.04468   0.04894   2.15180
   D239       2.16562   0.00033   0.00050   0.01452   0.01502   2.18064
   D240      -2.01267  -0.00007  -0.00230   0.00484   0.00249  -2.01018
   D241       0.05608   0.00034   0.00190   0.01729   0.01921   0.07530
   D242       2.75007   0.00089   0.00599   0.04818   0.05405   2.80412
   D243      -1.44885   0.00103   0.00316   0.04637   0.04940  -1.39946
   D244       0.67875   0.00027   0.00135   0.03216   0.03341   0.71217
   D245      -1.31510   0.00021   0.00534   0.01505   0.02044  -1.29466
   D246       0.76916   0.00035   0.00251   0.01325   0.01578   0.78495
   D247       2.89677  -0.00041   0.00069  -0.00097  -0.00020   2.89657
   D248       0.73914   0.00081   0.00813   0.03948   0.04767   0.78681
   D249       2.82340   0.00095   0.00530   0.03767   0.04302   2.86641
   D250      -1.33218   0.00019   0.00349   0.02346   0.02703  -1.30515
   D251       0.00369  -0.00005   0.00018  -0.00111  -0.00096   0.00273
   D252       3.13113  -0.00009  -0.00122  -0.00442  -0.00552   3.12561
         Item               Value     Threshold  Converged?
 Maximum Force            0.008371     0.000450     NO 
 RMS     Force            0.001403     0.000300     NO 
 Maximum Displacement     1.881527     0.001800     NO 
 RMS     Displacement     0.387020     0.001200     NO 
 Predicted change in Energy=-7.528374D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.847043   -2.578734    0.687265
      2          6           0       -9.492845   -1.325838   -0.114371
      3          6           0      -10.317017   -0.123279    0.352022
      4          6           0       -8.032207   -0.997347   -0.059251
      5          7           0       -7.362548   -0.349529   -0.979585
      6          6           0       -5.996092   -0.164431   -0.628741
      7          6           0       -5.117521    0.571163   -1.603622
      8          7           0       -4.802736    1.928354   -1.128603
      9          6           0       -5.815482    2.983775   -1.374071
     10          6           0       -3.689045    2.274655   -0.342289
     11          8           0       -3.501901    3.427089    0.037425
     12          7           0       -2.800292    1.233661    0.018695
     13          6           0       -1.494372    1.594711    0.601550
     14          6           0       -0.441075    1.562521   -0.531208
     15          8           0       -0.579821    0.907292   -1.552475
     16          7           0        0.704171    2.315400   -0.300764
     17          6           0        1.796403    2.358634   -1.302440
     18          6           0        1.975942    3.816740   -1.812545
     19          6           0        2.202379    4.834982   -0.730273
     20          6           0        1.108479    5.498360   -0.154139
     21          6           0        1.316601    6.443913    0.850170
     22          6           0        2.610158    6.738215    1.286287
     23          6           0        3.701899    6.085562    0.707866
     24          6           0        3.502728    5.135434   -0.301120
     25          6           0        3.112575    1.820429   -0.702731
     26          6           0        3.024194    0.347901   -0.293168
     27          8           0        2.150437    0.305287    0.849019
     28          6           0        4.377471   -0.212381    0.237120
     29          6           0        5.496890   -0.090092   -0.817202
     30          6           0        6.827506   -0.545125   -0.282240
     31          6           0        7.278916   -1.845682   -0.546129
     32          6           0        8.518150   -2.263285   -0.044815
     33          6           0        9.303041   -1.392424    0.713563
     34          6           0        8.849769   -0.096398    0.973007
     35          6           0        7.614492    0.330660    0.478286
     36          7           0        4.180388   -1.630722    0.643307
     37          6           0        3.835466   -2.608789   -0.277338
     38          8           0        3.564054   -2.504743   -1.451079
     39          8           0        3.840468   -3.834999    0.416135
     40          6           0        3.214204   -4.955032   -0.281564
     41          6           0        1.749286   -4.920409   -0.086134
     42          6           0        1.000887   -4.130112    0.731245
     43          7           0       -0.393587   -4.376537    0.688330
     44          6           0       -0.703726   -5.335188   -0.143773
     45         16           0        0.713911   -6.017537   -0.956404
     46          6           0       -1.149660    0.643927    1.773975
     47          6           0       -0.951094   -0.800924    1.301324
     48          6           0        0.071453    1.167953    2.533925
     49          6           0       -5.635942   -0.689126    0.574699
     50         16           0       -7.009914   -1.436012    1.325561
     51          1           0      -10.935262   -2.719352    0.730906
     52          1           0       -9.420188   -3.483074    0.240221
     53          1           0       -9.508669   -2.535483    1.727920
     54          1           0       -9.752612   -1.543848   -1.190659
     55          1           0      -10.329475   -0.037568    1.444730
     56          1           0       -9.924735    0.820127   -0.043710
     57          1           0      -11.358292   -0.209521    0.020684
     58          1           0       -4.171949    0.005625   -1.794957
     59          1           0       -5.624292    0.646179   -2.600870
     60          1           0       -6.353102    2.794561   -2.313767
     61          1           0       -5.322362    3.973744   -1.430076
     62          1           0       -6.546343    3.028137   -0.547823
     63          1           0       -2.881301    0.300847   -0.364136
     64          1           0       -1.572816    2.655520    0.991626
     65          1           0        0.873022    2.814210    0.562094
     66          1           0        1.494798    1.710719   -2.172592
     67          1           0        1.064684    4.081918   -2.396246
     68          1           0        2.797040    3.847840   -2.553928
     69          1           0        0.096606    5.278574   -0.495158
     70          1           0        0.465049    6.959021    1.294442
     71          1           0        2.768515    7.477520    2.067581
     72          1           0        4.715272    6.317326    1.036656
     73          1           0        4.355109    4.640064   -0.761785
     74          1           0        3.416931    2.433187    0.168025
     75          1           0        3.901353    1.949063   -1.472443
     76          1           0        2.622789   -0.283341   -1.115343
     77          1           0        1.498611   -0.419067    0.758468
     78          1           0        4.665614    0.343519    1.167725
     79          1           0        5.213024   -0.661069   -1.731090
     80          1           0        5.567133    0.967348   -1.150052
     81          1           0        6.671160   -2.525480   -1.138943
     82          1           0        8.867598   -3.275273   -0.251347
     83          1           0       10.265485   -1.716838    1.101556
     84          1           0        9.463640    0.582412    1.562383
     85          1           0        7.275679    1.340894    0.687957
     86          1           0        4.391241   -1.878652    1.602928
     87          1           0        3.700154   -5.805703    0.262431
     88          1           0        3.531423   -4.928653   -1.343976
     89          1           0        1.361733   -3.356163    1.395179
     90          1           0       -1.704218   -5.704318   -0.348903
     91          1           0       -2.028347    0.672194    2.469566
     92          1           0       -0.945848   -0.900126    0.208030
     93          1           0        0.000234   -1.220708    1.649225
     94          1           0       -1.738659   -1.462050    1.675628
     95          1           0        0.126301    0.727681    3.534164
     96          1           0        1.012109    0.911384    2.015872
     97          1           0        0.045789    2.253725    2.659132
     98          1           0       -4.671876   -0.663700    1.055453
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0646017      0.0272957      0.0202522
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3523.0266768494 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.231020341969     A.U. after   20 cycles
             Convg  =    0.5654D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000017287   -0.000137378    0.002294623
      2        6          -0.000613030    0.003197501    0.000842702
      3        6           0.001473409   -0.001335200    0.000754191
      4        6           0.003983176    0.001929549    0.001164620
      5        7          -0.004802971   -0.001057871   -0.005039350
      6        6           0.002588776    0.003942040   -0.003059838
      7        6          -0.000547614    0.000964375    0.000741444
      8        7          -0.002366288   -0.003866867   -0.006673885
      9        6           0.001735632   -0.002007584    0.002564845
     10        6          -0.000365027    0.002309611    0.002421024
     11        8          -0.000264846    0.000759113   -0.000619453
     12        7           0.006673370   -0.004418863    0.003370273
     13        6           0.000997089   -0.000999237   -0.008977024
     14        6          -0.002301959   -0.005145903    0.007552807
     15        8          -0.000163124    0.003169462   -0.001209563
     16        7           0.001293353    0.004944823   -0.007910736
     17        6           0.000288637   -0.003876159   -0.000761973
     18        6           0.001515776    0.003666814    0.000878091
     19        6          -0.001306512    0.002971879    0.000170469
     20        6           0.000546911    0.000634985    0.000241519
     21        6           0.002952377   -0.000241929   -0.000141559
     22        6          -0.002219655   -0.001560698    0.000134735
     23        6          -0.002508799    0.001827377   -0.000208887
     24        6          -0.000100304   -0.002423688   -0.000029577
     25        6          -0.001812147    0.000740219   -0.002573442
     26        6          -0.000099118   -0.002597658   -0.002409323
     27        8          -0.010185393    0.003652569   -0.000152202
     28        6          -0.004714613    0.001659650   -0.000108495
     29        6           0.000744640   -0.001211278   -0.000718292
     30        6           0.003225821    0.002299787   -0.001625218
     31        6          -0.003188037   -0.002247753    0.001438462
     32        6           0.001661673    0.003702106   -0.000441127
     33        6          -0.000828934   -0.000225752    0.000452070
     34        6           0.000780979   -0.001081959   -0.000656768
     35        6          -0.001756404   -0.001523182    0.001215029
     36        7           0.002153504    0.006458357   -0.004274609
     37        6          -0.001617482   -0.008890117    0.011601402
     38        8          -0.000292838    0.002318625   -0.002723120
     39        8           0.002566753    0.002386900   -0.007010707
     40        6          -0.004562988   -0.005239703    0.004319144
     41        6          -0.007354983    0.003002225   -0.000572966
     42        6           0.007953267    0.000441688    0.000914881
     43        7           0.000303462   -0.005338340   -0.000464009
     44        6           0.002151218    0.002224069    0.000206227
     45       16          -0.002528512    0.002733482   -0.000459155
     46        6          -0.000387426    0.001271439    0.001257171
     47        6          -0.001685460   -0.000618549    0.000386554
     48        6           0.005959665    0.000456128    0.001766405
     49        6          -0.001741386   -0.002605833    0.003674719
     50       16          -0.000062814   -0.001201470    0.003377794
     51        1          -0.000255091    0.000720101   -0.000550905
     52        1          -0.000806595    0.000129019   -0.000048240
     53        1           0.000072154   -0.001050144    0.000332740
     54        1          -0.000410715   -0.001275311   -0.002072119
     55        1          -0.000210986   -0.000796900   -0.000044898
     56        1          -0.000364021   -0.000076070   -0.001298909
     57        1           0.000033621   -0.000030007   -0.000050302
     58        1           0.000964635    0.000893705    0.000916742
     59        1           0.000555791    0.000232786    0.000457127
     60        1          -0.000181766    0.000325775   -0.000502891
     61        1          -0.000519417    0.000370568   -0.000288655
     62        1           0.000448430    0.000801418    0.000086932
     63        1          -0.002863925    0.002966018   -0.001756662
     64        1           0.000392185   -0.000176900    0.000870869
     65        1           0.001319966   -0.001881855    0.002468808
     66        1          -0.000331195    0.000995575   -0.001011954
     67        1          -0.000062951   -0.000608532   -0.000078284
     68        1          -0.000797001    0.000067424    0.000211612
     69        1           0.000312864   -0.000023422    0.000189974
     70        1           0.000269547    0.000203372    0.000024556
     71        1           0.000132119   -0.000355545    0.000138496
     72        1           0.000856217    0.000338492   -0.000011356
     73        1           0.000453544   -0.000924722    0.000353628
     74        1           0.000864965   -0.000695259    0.000483592
     75        1          -0.001563030   -0.001365187    0.001230690
     76        1           0.000968495    0.001311752    0.000089943
     77        1           0.001818324    0.003220237    0.001230161
     78        1           0.000635430   -0.000981644   -0.000186707
     79        1          -0.000696676   -0.000088023    0.000599750
     80        1          -0.000371885    0.000463328   -0.000603013
     81        1          -0.000147138    0.000458242    0.000219322
     82        1           0.000179208   -0.000563489   -0.000212990
     83        1          -0.000502097    0.000306234    0.000368075
     84        1           0.000222085   -0.000373983   -0.000188560
     85        1           0.000896864    0.000050935   -0.000602118
     86        1          -0.001256094    0.000080882    0.002412297
     87        1           0.001903977    0.001729100   -0.002986802
     88        1           0.001225938    0.001359360   -0.000093773
     89        1           0.000310915   -0.002017455    0.000395105
     90        1          -0.000688171   -0.000824592   -0.000021869
     91        1           0.000629722    0.000081612    0.000479107
     92        1           0.000263442    0.000673194   -0.000487706
     93        1          -0.000075324    0.000130850    0.001078896
     94        1           0.000321928    0.000596765    0.000682091
     95        1          -0.000421822   -0.000182067    0.000626765
     96        1           0.005042916   -0.006875848    0.001275663
     97        1           0.000088787   -0.001085999    0.000673138
     98        1           0.000153716   -0.000065589    0.000282710
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.011601402 RMS     0.002439340

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.028793651 RMS     0.004095378
 Search for a local minimum.
 Step number   6 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    5    6
 DE= -1.96D-03 DEPred=-7.53D-03 R= 2.61D-01
 Trust test= 2.61D-01 RLast= 6.90D-01 DXMaxT set to 1.43D+00
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00311   0.00321   0.00394   0.00447   0.00504
     Eigenvalues ---    0.00588   0.00638   0.00650   0.00680   0.00800
     Eigenvalues ---    0.00862   0.00900   0.00923   0.00935   0.00987
     Eigenvalues ---    0.01030   0.01062   0.01091   0.01163   0.01223
     Eigenvalues ---    0.01234   0.01247   0.01260   0.01268   0.01361
     Eigenvalues ---    0.01396   0.01413   0.01431   0.01442   0.01523
     Eigenvalues ---    0.01565   0.01587   0.01600   0.01629   0.01750
     Eigenvalues ---    0.01756   0.01925   0.01939   0.01969   0.01983
     Eigenvalues ---    0.02074   0.02176   0.02194   0.02203   0.02216
     Eigenvalues ---    0.02220   0.02258   0.02268   0.02289   0.02327
     Eigenvalues ---    0.02373   0.02406   0.02408   0.02414   0.02448
     Eigenvalues ---    0.02483   0.02485   0.02527   0.02528   0.02614
     Eigenvalues ---    0.02618   0.02701   0.02741   0.03854   0.03975
     Eigenvalues ---    0.04056   0.04174   0.04304   0.04338   0.04483
     Eigenvalues ---    0.04710   0.04791   0.04876   0.04929   0.05009
     Eigenvalues ---    0.05067   0.05114   0.05226   0.05318   0.05367
     Eigenvalues ---    0.05448   0.05467   0.05511   0.05533   0.05600
     Eigenvalues ---    0.05669   0.05754   0.05808   0.05815   0.05856
     Eigenvalues ---    0.05871   0.05996   0.06168   0.06268   0.06482
     Eigenvalues ---    0.06731   0.06969   0.07209   0.07273   0.07399
     Eigenvalues ---    0.07944   0.08684   0.09471   0.09871   0.09974
     Eigenvalues ---    0.12109   0.12463   0.12914   0.13165   0.13248
     Eigenvalues ---    0.14000   0.14315   0.15327   0.15952   0.15985
     Eigenvalues ---    0.15997   0.15998   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16005
     Eigenvalues ---    0.16030   0.16086   0.16161   0.16280   0.16780
     Eigenvalues ---    0.16913   0.16950   0.17158   0.17222   0.17910
     Eigenvalues ---    0.17969   0.18140   0.18323   0.18930   0.20567
     Eigenvalues ---    0.21301   0.21870   0.21913   0.21981   0.21996
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22034   0.22041
     Eigenvalues ---    0.22117   0.22570   0.23407   0.23486   0.23511
     Eigenvalues ---    0.23665   0.23734   0.24232   0.24807   0.24895
     Eigenvalues ---    0.24903   0.24995   0.24997   0.24997   0.24999
     Eigenvalues ---    0.24999   0.25000   0.25000   0.25001   0.25053
     Eigenvalues ---    0.25490   0.28960   0.29275   0.29522   0.29759
     Eigenvalues ---    0.29835   0.29905   0.30122   0.30241   0.30329
     Eigenvalues ---    0.30708   0.30959   0.31144   0.31338   0.31413
     Eigenvalues ---    0.31432   0.31503   0.31521   0.31569   0.31669
     Eigenvalues ---    0.31996   0.32127   0.32345   0.32400   0.32508
     Eigenvalues ---    0.32552   0.32697   0.32759   0.32798   0.32814
     Eigenvalues ---    0.32926   0.33010   0.33058   0.33088   0.33111
     Eigenvalues ---    0.33150   0.33187   0.33264   0.33458   0.33566
     Eigenvalues ---    0.33594   0.33648   0.33685   0.33731   0.33980
     Eigenvalues ---    0.33994   0.34052   0.34176   0.34230   0.34292
     Eigenvalues ---    0.34336   0.34352   0.34374   0.34455   0.34504
     Eigenvalues ---    0.34598   0.34692   0.34730   0.35627   0.36068
     Eigenvalues ---    0.36252   0.36312   0.36376   0.36632   0.36841
     Eigenvalues ---    0.36950   0.37468   0.38561   0.39220   0.39421
     Eigenvalues ---    0.41527   0.41758   0.41850   0.42521   0.42610
     Eigenvalues ---    0.43099   0.43271   0.44077   0.44212   0.44948
     Eigenvalues ---    0.45093   0.45919   0.47541   0.48213   0.48371
     Eigenvalues ---    0.48504   0.48611   0.48817   0.49493   0.49864
     Eigenvalues ---    0.50371   0.50930   0.51226   0.51382   0.56289
     Eigenvalues ---    0.58082   0.58896   0.61792   0.65174   0.69410
     Eigenvalues ---    0.75867   0.77930   0.841001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-1.73387150D-02 EMin= 3.10883515D-03
 Quartic linear search produced a step of -0.35441.
 Iteration  1 RMS(Cart)=  0.24278426 RMS(Int)=  0.00696742
 Iteration  2 RMS(Cart)=  0.03363748 RMS(Int)=  0.00014090
 Iteration  3 RMS(Cart)=  0.00039200 RMS(Int)=  0.00010373
 Iteration  4 RMS(Cart)=  0.00000008 RMS(Int)=  0.00010373
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.88938   0.00164  -0.00032   0.00325   0.00293   2.89231
    R2        2.07517  -0.00001  -0.00020   0.00070   0.00050   2.07567
    R3        2.06999   0.00061   0.00040   0.00087   0.00127   2.07126
    R4        2.06951   0.00098  -0.00198   0.00741   0.00543   2.07495
    R5        2.89253   0.00218   0.00352  -0.00355  -0.00004   2.89250
    R6        2.83107  -0.00122   0.00156  -0.00947  -0.00791   2.82315
    R7        2.13246   0.00024  -0.00226   0.00550   0.00323   2.13570
    R8        2.07140   0.00044  -0.00290   0.00815   0.00525   2.07664
    R9        2.07053   0.00120   0.00181  -0.00110   0.00071   2.07124
   R10        2.07136   0.00002  -0.00124   0.00313   0.00190   2.07326
   R11        2.47484   0.00461   0.00638  -0.01004  -0.00366   2.47117
   R12        3.35671   0.00300  -0.00520   0.01723   0.01204   3.36875
   R13        2.68883  -0.00260  -0.00834   0.01423   0.00588   2.69472
   R14        2.84300  -0.00005   0.00149  -0.00691  -0.00542   2.83758
   R15        2.57258   0.00530   0.00509  -0.00419   0.00090   2.57348
   R16        2.78162   0.00316   0.00188  -0.00056   0.00132   2.78295
   R17        2.11324  -0.00057  -0.00221   0.00327   0.00107   2.11431
   R18        2.11864  -0.00004  -0.00120   0.00236   0.00116   2.11980
   R19        2.80280   0.00015  -0.00055   0.00090   0.00035   2.80315
   R20        2.65809  -0.00147  -0.00015  -0.00350  -0.00365   2.65444
   R21        2.07686   0.00049   0.00168  -0.00275  -0.00107   2.07579
   R22        2.09269   0.00001  -0.00112   0.00262   0.00150   2.09419
   R23        2.08625   0.00019  -0.00075   0.00219   0.00144   2.08769
   R24        2.32007  -0.00050   0.00046  -0.00062  -0.00017   2.31990
   R25        2.67505  -0.00101  -0.00280   0.00345   0.00065   2.67571
   R26        2.78727   0.00114   0.00029   0.00222   0.00251   2.78978
   R27        1.91158   0.00285  -0.00070   0.00636   0.00566   1.91725
   R28        2.92365   0.01308   0.00245  -0.00541  -0.00296   2.92069
   R29        2.92596   0.00622   0.00425  -0.01171  -0.00745   2.91851
   R30        2.14101  -0.00001   0.00009  -0.00083  -0.00073   2.14028
   R31        2.30791   0.00334   0.00022   0.00299   0.00321   2.31112
   R32        2.62633   0.00136   0.00237  -0.01060  -0.00823   2.61810
   R33        2.80177   0.01325  -0.00221   0.00870   0.00649   2.80826
   R34        1.91026   0.00276   0.00230  -0.00086   0.00145   1.91170
   R35        2.93882  -0.00343  -0.00207  -0.00187  -0.00394   2.93488
   R36        2.91632   0.00850   0.00093  -0.00401  -0.00308   2.91325
   R37        2.12787   0.00121   0.00649  -0.01349  -0.00699   2.12088
   R38        2.84051  -0.00046   0.00022  -0.00357  -0.00334   2.83717
   R39        2.10551  -0.00026  -0.00166   0.00319   0.00154   2.10705
   R40        2.09139   0.00057   0.00016   0.00059   0.00075   2.09214
   R41        2.65143   0.00175   0.00049   0.00068   0.00117   2.65260
   R42        2.64922   0.00172  -0.00100   0.00328   0.00228   2.65150
   R43        2.63616   0.00160  -0.00075   0.00321   0.00246   2.63862
   R44        2.06014   0.00020   0.00034  -0.00045  -0.00011   2.06003
   R45        2.63893   0.00288   0.00173  -0.00072   0.00101   2.63994
   R46        2.05959   0.00019  -0.00050   0.00121   0.00071   2.06030
   R47        2.64050   0.00057  -0.00103   0.00207   0.00104   2.64154
   R48        2.05457   0.00039  -0.00055   0.00205   0.00150   2.05607
   R49        2.64593  -0.00191  -0.00104  -0.00262  -0.00367   2.64226
   R50        2.06036  -0.00087  -0.00051  -0.00108  -0.00159   2.05877
   R51        2.05638  -0.00074   0.00028  -0.00282  -0.00253   2.05385
   R52        2.89313   0.00410  -0.00090   0.00019  -0.00071   2.89242
   R53        2.09267   0.00083   0.00127  -0.00264  -0.00137   2.09130
   R54        2.09681   0.00036  -0.00023   0.00339   0.00317   2.09998
   R55        2.71875  -0.00737  -0.00311   0.00489   0.00177   2.72052
   R56        2.94366   0.00283   0.00465  -0.00253   0.00213   2.94578
   R57        2.10054   0.00131   0.00361  -0.00608  -0.00247   2.09807
   R58        1.84939   0.00388   0.00101  -0.00120  -0.00019   1.84920
   R59        2.91511   0.00024  -0.00345   0.00644   0.00300   2.91811
   R60        2.81279   0.00125  -0.00153   0.00475   0.00322   2.81601
   R61        2.11959   0.00091   0.00097  -0.00005   0.00093   2.12052
   R62        2.84325  -0.00070  -0.00050  -0.00279  -0.00329   2.83997
   R63        2.10582  -0.00021   0.00265  -0.00763  -0.00498   2.10084
   R64        2.09913   0.00023  -0.00218   0.00569   0.00351   2.10264
   R65        2.64889   0.00135  -0.00173   0.00427   0.00254   2.65143
   R66        2.64882   0.00164   0.00235  -0.00404  -0.00169   2.64713
   R67        2.64657  -0.00222  -0.00058  -0.00389  -0.00447   2.64210
   R68        2.05531   0.00040   0.00161  -0.00347  -0.00186   2.05344
   R69        2.63858   0.00143  -0.00077   0.00289   0.00212   2.64070
   R70        2.06049  -0.00058  -0.00084   0.00039  -0.00045   2.06004
   R71        2.64052   0.00208   0.00193  -0.00219  -0.00025   2.64026
   R72        2.05458   0.00050  -0.00076   0.00299   0.00223   2.05681
   R73        2.64091   0.00012  -0.00267   0.00526   0.00259   2.64350
   R74        2.05710   0.00030   0.00034  -0.00055  -0.00021   2.05689
   R75        2.05218   0.00075   0.00062   0.00003   0.00065   2.05283
   R76        2.62065  -0.00618  -0.00092  -0.00948  -0.01040   2.61025
   R77        1.91488   0.00214   0.00196  -0.00017   0.00179   1.91667
   R78        2.28505   0.00357   0.00262  -0.00223   0.00039   2.28544
   R79        2.66211  -0.00542  -0.00673   0.00669  -0.00004   2.66207
   R80        2.76021  -0.00188  -0.00898   0.01599   0.00701   2.76722
   R81        2.79359   0.00019  -0.00023  -0.00142  -0.00165   2.79193
   R82        2.11761  -0.00334  -0.00447   0.00341  -0.00106   2.11655
   R83        2.09584   0.00013   0.00387  -0.00964  -0.00576   2.09008
   R84        2.57224   0.00778   0.00630  -0.00259   0.00371   2.57595
   R85        3.29109   0.00115  -0.00731   0.01950   0.01218   3.30327
   R86        2.67723  -0.00232  -0.00878   0.01614   0.00735   2.68459
   R87        2.04406   0.00202   0.00070   0.00336   0.00406   2.04812
   R88        2.46940   0.00328   0.00582  -0.01001  -0.00418   2.46522
   R89        3.34629   0.00356  -0.00667   0.02255   0.01588   3.36218
   R90        2.05218  -0.00106  -0.00263   0.00407   0.00144   2.05362
   R91        2.89716   0.00177   0.00257  -0.00812  -0.00556   2.89160
   R92        2.89273   0.00097  -0.00100  -0.00052  -0.00151   2.89121
   R93        2.11846   0.00076   0.00075   0.00152   0.00227   2.12074
   R94        2.07454   0.00073  -0.00172   0.00446   0.00275   2.07728
   R95        2.07206   0.00057  -0.00017  -0.00036  -0.00053   2.07153
   R96        2.06789   0.00091  -0.00007   0.00148   0.00141   2.06930
   R97        2.06778   0.00063   0.00018   0.00209   0.00228   2.07006
   R98        2.08645  -0.00631  -0.00116  -0.00704  -0.00820   2.07825
   R99        2.06598   0.00049   0.00127  -0.00192  -0.00065   2.06533
   R100       3.27824   0.00087  -0.00666   0.01700   0.01034   3.28858
   R101       2.03634   0.00002  -0.00364   0.00922   0.00558   2.04193
    A1        1.93406  -0.00023  -0.00092   0.00162   0.00070   1.93476
    A2        1.95224  -0.00042  -0.00117   0.00045  -0.00071   1.95153
    A3        1.97607  -0.00043  -0.00031  -0.00183  -0.00215   1.97392
    A4        1.87199   0.00021  -0.00591   0.01520   0.00931   1.88130
    A5        1.84781   0.00058   0.00504  -0.00847  -0.00343   1.84438
    A6        1.87550   0.00040   0.00330  -0.00664  -0.00335   1.87215
    A7        1.93831   0.00130  -0.00080   0.00812   0.00736   1.94567
    A8        1.96735  -0.00124  -0.00197  -0.00277  -0.00474   1.96261
    A9        1.86337   0.00099   0.01100  -0.01617  -0.00519   1.85819
   A10        1.91930  -0.00045  -0.00401   0.00503   0.00106   1.92036
   A11        1.89489  -0.00055  -0.00106   0.00185   0.00086   1.89575
   A12        1.87747  -0.00004  -0.00293   0.00331   0.00038   1.87785
   A13        1.95120   0.00039  -0.00023   0.00252   0.00230   1.95350
   A14        1.95372  -0.00066  -0.00167   0.00030  -0.00135   1.95237
   A15        1.93647   0.00015  -0.00088   0.00296   0.00210   1.93857
   A16        1.87212   0.00006   0.00089  -0.00219  -0.00130   1.87082
   A17        1.87202   0.00006   0.00910  -0.02067  -0.01155   1.86047
   A18        1.87411   0.00001  -0.00709   0.01661   0.00955   1.88365
   A19        2.19093   0.00077  -0.00732   0.01886   0.01154   2.20247
   A20        2.13607  -0.00144   0.00580  -0.01788  -0.01208   2.12400
   A21        1.95599   0.00068   0.00157  -0.00111   0.00047   1.95646
   A22        1.96290  -0.00110  -0.00366   0.00502   0.00135   1.96425
   A23        2.05404  -0.00143   0.00567  -0.01782  -0.01214   2.04190
   A24        2.00633   0.00114   0.00228  -0.00121   0.00106   2.00740
   A25        2.22281   0.00029  -0.00796   0.01902   0.01107   2.23388
   A26        1.94614   0.00046  -0.00356   0.00819   0.00463   1.95077
   A27        1.93627  -0.00131  -0.00392   0.00055  -0.00339   1.93288
   A28        1.92318  -0.00056  -0.00281   0.00327   0.00044   1.92362
   A29        1.91843   0.00089   0.00314  -0.00119   0.00199   1.92043
   A30        1.89866   0.00032   0.00169   0.00109   0.00281   1.90146
   A31        1.83781   0.00021   0.00599  -0.01308  -0.00706   1.83075
   A32        2.04505   0.00055   0.00177  -0.00353  -0.00206   2.04299
   A33        2.18550  -0.00149  -0.00146  -0.00299  -0.00472   2.18078
   A34        2.04649   0.00083   0.00138  -0.00177  -0.00070   2.04579
   A35        1.93159  -0.00034   0.00021  -0.00294  -0.00273   1.92886
   A36        1.91819  -0.00042  -0.00049  -0.00062  -0.00110   1.91709
   A37        1.93560   0.00043  -0.00160   0.00621   0.00462   1.94022
   A38        1.90551  -0.00014  -0.00469   0.00929   0.00461   1.91012
   A39        1.89968  -0.00017  -0.00322   0.00698   0.00377   1.90345
   A40        1.87205   0.00066   0.00992  -0.01920  -0.00927   1.86278
   A41        2.12314  -0.00128  -0.00153   0.00012  -0.00142   2.12172
   A42        2.04722   0.00161   0.00173   0.00016   0.00190   2.04911
   A43        2.11264  -0.00032  -0.00017  -0.00041  -0.00058   2.11205
   A44        2.06763  -0.00016   0.00200  -0.01019  -0.00908   2.05855
   A45        2.13099   0.00034   0.00567  -0.01985  -0.01515   2.11583
   A46        2.03330  -0.00069   0.00483  -0.02162  -0.01769   2.01561
   A47        1.88427  -0.01566  -0.00438  -0.00759  -0.01205   1.87222
   A48        1.92413  -0.00527  -0.00672   0.01199   0.00522   1.92935
   A49        1.87963   0.00438  -0.00636   0.01463   0.00833   1.88796
   A50        1.97149   0.02435   0.01193  -0.01229  -0.00028   1.97121
   A51        1.89515   0.00003   0.00287   0.01181   0.01487   1.91003
   A52        1.90674  -0.00851   0.00154  -0.01703  -0.01527   1.89147
   A53        2.14846  -0.01439  -0.00290  -0.00915  -0.01143   2.13704
   A54        2.01345   0.02879   0.00787   0.00497   0.01347   2.02693
   A55        2.12105  -0.01423  -0.00651   0.00263  -0.00325   2.11781
   A56        2.10695  -0.00137   0.00112  -0.00230  -0.00079   2.10616
   A57        2.14896  -0.00150  -0.00341  -0.00259  -0.00559   2.14337
   A58        2.02556   0.00332   0.00280   0.00297   0.00616   2.03171
   A59        1.91133  -0.01809  -0.00157  -0.01567  -0.01711   1.89423
   A60        1.93433   0.02754   0.01768  -0.00714   0.01052   1.94484
   A61        1.88387  -0.00059  -0.00147   0.01043   0.00908   1.89295
   A62        1.93477  -0.00691  -0.00261   0.00266   0.00022   1.93498
   A63        1.89330   0.00534  -0.00990   0.01649   0.00670   1.90000
   A64        1.90505  -0.00750  -0.00326  -0.00597  -0.00913   1.89592
   A65        2.00024  -0.00199  -0.00495   0.00596   0.00102   2.00126
   A66        1.87608   0.00097   0.00181   0.00115   0.00295   1.87903
   A67        1.90893   0.00032  -0.00021  -0.00080  -0.00097   1.90797
   A68        1.91684   0.00048   0.00105  -0.00071   0.00032   1.91717
   A69        1.93000   0.00049  -0.00180   0.00280   0.00104   1.93104
   A70        1.82261  -0.00009   0.00507  -0.00996  -0.00489   1.81773
   A71        2.09265   0.00047  -0.00037   0.00213   0.00177   2.09442
   A72        2.10055   0.00026   0.00149  -0.00266  -0.00116   2.09939
   A73        2.08994  -0.00073  -0.00111   0.00045  -0.00065   2.08929
   A74        2.09414   0.00003   0.00090  -0.00144  -0.00055   2.09359
   A75        2.09425   0.00023  -0.00077   0.00259   0.00182   2.09607
   A76        2.09478  -0.00025  -0.00013  -0.00115  -0.00128   2.09350
   A77        2.10120  -0.00071  -0.00090   0.00054  -0.00036   2.10085
   A78        2.09123   0.00007   0.00045  -0.00159  -0.00113   2.09010
   A79        2.09075   0.00064   0.00045   0.00104   0.00149   2.09223
   A80        2.08982   0.00003   0.00006  -0.00005   0.00002   2.08984
   A81        2.09746  -0.00007  -0.00126   0.00277   0.00152   2.09897
   A82        2.09588   0.00004   0.00120  -0.00272  -0.00152   2.09436
   A83        2.09916   0.00030  -0.00014   0.00061   0.00046   2.09962
   A84        2.09680  -0.00046  -0.00089   0.00085  -0.00004   2.09676
   A85        2.08721   0.00016   0.00104  -0.00146  -0.00042   2.08680
   A86        2.09205   0.00108   0.00121  -0.00014   0.00107   2.09312
   A87        2.09371   0.00024   0.00115  -0.00045   0.00070   2.09441
   A88        2.09733  -0.00132  -0.00235   0.00060  -0.00175   2.09559
   A89        1.97160   0.01579   0.01062  -0.02221  -0.01159   1.96001
   A90        1.92515  -0.00497   0.00114   0.00120   0.00253   1.92768
   A91        1.87159  -0.00378  -0.00238   0.00546   0.00281   1.87439
   A92        1.91529   0.00145   0.00235   0.01211   0.01467   1.92996
   A93        1.91571  -0.01166  -0.00802  -0.00640  -0.01450   1.90121
   A94        1.86078   0.00217  -0.00512   0.01146   0.00640   1.86718
   A95        1.85035   0.00868   0.01000  -0.00897   0.00103   1.85138
   A96        1.96803  -0.00376  -0.00285   0.00165  -0.00113   1.96690
   A97        1.94893  -0.00109  -0.00137  -0.00325  -0.00452   1.94441
   A98        1.82007  -0.00286   0.00098   0.00386   0.00482   1.82489
   A99        1.92952  -0.00244   0.00092  -0.00972  -0.00881   1.92071
   A100       1.94042   0.00164  -0.00680   0.01519   0.00844   1.94886
   A101       1.93154  -0.00023  -0.00179  -0.00177  -0.00356   1.92798
   A102       1.94899   0.00004   0.00097  -0.00112  -0.00014   1.94885
   A103       1.89717   0.00015   0.00224  -0.00247  -0.00023   1.89694
   A104       1.90431  -0.00052  -0.00859   0.01611   0.00750   1.91181
   A105       1.93706   0.00007   0.00203  -0.00652  -0.00448   1.93259
   A106       1.91915   0.00017   0.00323  -0.00711  -0.00387   1.91528
   A107       1.85445   0.00008  -0.00021   0.00170   0.00148   1.85594
   A108       1.95495  -0.00073   0.00051  -0.00499  -0.00446   1.95049
   A109       1.91245   0.00049  -0.00137   0.00494   0.00359   1.91603
   A110       1.90302   0.00068   0.00431  -0.00569  -0.00137   1.90165
   A111       1.94112  -0.00034  -0.00465   0.00733   0.00270   1.94382
   A112       1.91614   0.00015   0.00046   0.00007   0.00054   1.91668
   A113       1.83189  -0.00018   0.00086  -0.00166  -0.00081   1.83108
   A114       2.09262   0.00096   0.00310  -0.00439  -0.00129   2.09133
   A115       2.09496   0.00003  -0.00122   0.00300   0.00177   2.09673
   A116       2.09560  -0.00100  -0.00187   0.00139  -0.00048   2.09512
   A117       2.08774   0.00136   0.00197  -0.00067   0.00131   2.08904
   A118       2.09737  -0.00033  -0.00017   0.00004  -0.00013   2.09724
   A119       2.09807  -0.00103  -0.00180   0.00063  -0.00117   2.09690
   A120       2.10116  -0.00023  -0.00087   0.00085  -0.00002   2.10114
   A121       2.08579   0.00036   0.00100  -0.00095   0.00005   2.08584
   A122       2.09624  -0.00013  -0.00013   0.00009  -0.00004   2.09620
   A123       2.09093  -0.00005   0.00023  -0.00069  -0.00046   2.09047
   A124       2.10057  -0.00047  -0.00024  -0.00153  -0.00178   2.09879
   A125       2.09169   0.00052   0.00001   0.00223   0.00224   2.09393
   A126       2.09953  -0.00036  -0.00059   0.00074   0.00014   2.09967
   A127       2.08976   0.00056  -0.00034   0.00285   0.00251   2.09227
   A128       2.09390  -0.00019   0.00093  -0.00359  -0.00265   2.09124
   A129       2.09142   0.00027   0.00113  -0.00162  -0.00049   2.09093
   A130       2.10693  -0.00094  -0.00445   0.00637   0.00192   2.10885
   A131       2.08483   0.00066   0.00332  -0.00475  -0.00143   2.08341
   A132       2.12212   0.00057   0.00087  -0.00122  -0.00044   2.12168
   A133       2.05333   0.00095  -0.00006   0.00425   0.00409   2.05743
   A134       2.10353  -0.00155   0.00018  -0.00722  -0.00712   2.09640
   A135       2.26470  -0.00167  -0.00474   0.00618   0.00141   2.26612
   A136       1.86107   0.00385   0.00184   0.00803   0.00985   1.87092
   A137       2.15739  -0.00219   0.00287  -0.01410  -0.01126   2.14613
   A138       2.01617   0.00017   0.00760  -0.01906  -0.01146   2.00471
   A139       1.92173  -0.00167   0.01440  -0.04159  -0.02724   1.89449
   A140       1.73583   0.00260   0.00529   0.00366   0.00897   1.74480
   A141       1.89304   0.00132   0.00040   0.00405   0.00426   1.89731
   A142       1.96420  -0.00048  -0.00361   0.00654   0.00318   1.96738
   A143       1.99272  -0.00129  -0.00766   0.00835   0.00073   1.99345
   A144       1.93805   0.00006  -0.00687   0.01659   0.00985   1.94790
   A145       2.26247   0.00049  -0.00455   0.01167   0.00712   2.26959
   A146       2.10402   0.00048   0.00612  -0.01269  -0.00657   2.09745
   A147       1.91661  -0.00097  -0.00158   0.00108  -0.00050   1.91610
   A148       2.00645   0.00123   0.00239  -0.00131   0.00108   2.00753
   A149       2.21504  -0.00025  -0.00916   0.02144   0.01229   2.22733
   A150       2.06168  -0.00097   0.00676  -0.02012  -0.01336   2.04833
   A151       1.96114  -0.00121  -0.00391   0.00514   0.00122   1.96236
   A152       1.96590   0.00140   0.00200  -0.00075   0.00126   1.96716
   A153       2.19975  -0.00087  -0.00950   0.01927   0.00977   2.20952
   A154       2.11753  -0.00053   0.00750  -0.01853  -0.01103   2.10650
   A155       1.57467  -0.00044   0.00110  -0.00416  -0.00306   1.57162
   A156       1.95422  -0.00171   0.00220   0.00031   0.00267   1.95690
   A157       1.92123   0.00216   0.01065  -0.02879  -0.01812   1.90311
   A158       1.85444  -0.00058  -0.00352   0.00642   0.00266   1.85710
   A159       1.95234   0.00481   0.00093   0.00773   0.00884   1.96118
   A160       1.89291   0.00093  -0.00501   0.01738   0.01238   1.90529
   A161       1.88450  -0.00615  -0.00646  -0.00231  -0.00888   1.87562
   A162       1.97448  -0.00010  -0.00303   0.00521   0.00218   1.97666
   A163       1.95558   0.00053  -0.00291   0.00864   0.00573   1.96131
   A164       1.95057   0.00016  -0.00180   0.00349   0.00169   1.95227
   A165       1.85172   0.00018   0.00671  -0.01573  -0.00902   1.84270
   A166       1.86450  -0.00023   0.00382  -0.00756  -0.00374   1.86076
   A167       1.85939  -0.00060  -0.00215   0.00443   0.00228   1.86167
   A168       1.93484  -0.00116  -0.00048  -0.00075  -0.00125   1.93359
   A169       1.94672   0.00832   0.00233   0.01176   0.01411   1.96084
   A170       1.95855  -0.00061   0.00208  -0.00727  -0.00516   1.95339
   A171       1.86785  -0.00283   0.00035  -0.00272  -0.00240   1.86545
   A172       1.87139  -0.00046  -0.00659   0.01271   0.00612   1.87752
   A173       1.88023  -0.00375   0.00191  -0.01380  -0.01184   1.86839
   A174       1.91668  -0.00018  -0.00086   0.00032  -0.00054   1.91614
   A175       2.24206   0.00042  -0.00588   0.01598   0.01011   2.25217
   A176       2.12426  -0.00023   0.00676  -0.01638  -0.00962   2.11464
   A177       1.58286  -0.00054   0.00066  -0.00300  -0.00233   1.58052
    D1        0.85452   0.00087  -0.00095   0.01787   0.01692   0.87143
    D2        3.01719   0.00034  -0.00823   0.02862   0.02039   3.03758
    D3       -1.20823   0.00022  -0.00593   0.02087   0.01497  -1.19326
    D4        2.94248   0.00069  -0.00977   0.03851   0.02873   2.97121
    D5       -1.17803   0.00017  -0.01705   0.04927   0.03220  -1.14582
    D6        0.87973   0.00005  -0.01474   0.04151   0.02678   0.90651
    D7       -1.21858   0.00058  -0.00654   0.02878   0.02224  -1.19635
    D8        0.94409   0.00006  -0.01382   0.03954   0.02571   0.96980
    D9        3.00185  -0.00006  -0.01151   0.03178   0.02029   3.02214
   D10        0.81452  -0.00043  -0.01126   0.02976   0.01850   0.83302
   D11        2.91548  -0.00054  -0.01144   0.02893   0.01749   2.93297
   D12       -1.27443  -0.00088  -0.02208   0.05227   0.03018  -1.24424
   D13       -1.37529   0.00055  -0.00529   0.02381   0.01852  -1.35677
   D14        0.72567   0.00045  -0.00547   0.02297   0.01751   0.74318
   D15        2.81895   0.00011  -0.01611   0.04632   0.03020   2.84915
   D16        2.85810   0.00118   0.00105   0.01589   0.01695   2.87505
   D17       -1.32412   0.00107   0.00087   0.01505   0.01594  -1.30819
   D18        0.76916   0.00074  -0.00977   0.03840   0.02863   0.79779
   D19        2.66724  -0.00025   0.00923  -0.02736  -0.01812   2.64912
   D20       -0.49702  -0.00015   0.01333  -0.03541  -0.02207  -0.51908
   D21       -1.44281   0.00021   0.00381  -0.01496  -0.01115  -1.45396
   D22        1.67612   0.00031   0.00791  -0.02301  -0.01510   1.66102
   D23        0.61779  -0.00072  -0.00126  -0.00804  -0.00931   0.60848
   D24       -2.54647  -0.00062   0.00283  -0.01609  -0.01326  -2.55973
   D25        3.11846   0.00011   0.00370  -0.00688  -0.00317   3.11529
   D26       -0.00248   0.00005  -0.00006   0.00069   0.00062  -0.00186
   D27       -3.12180  -0.00011  -0.00371   0.00734   0.00365  -3.11814
   D28       -0.00011  -0.00001  -0.00017   0.00054   0.00037   0.00027
   D29       -3.13880  -0.00003   0.00269  -0.00692  -0.00425   3.14014
   D30        0.00480  -0.00007   0.00035  -0.00203  -0.00168   0.00312
   D31        1.85949   0.00017  -0.01030   0.03530   0.02501   1.88450
   D32       -2.27908   0.00071  -0.01153   0.03999   0.02844  -2.25064
   D33       -0.25076  -0.00016  -0.00822   0.02627   0.01806  -0.23271
   D34       -1.28439   0.00022  -0.00766   0.02969   0.02204  -1.26234
   D35        0.86023   0.00076  -0.00888   0.03437   0.02547   0.88570
   D36        2.88854  -0.00011  -0.00558   0.02065   0.01509   2.90363
   D37       -0.00473   0.00005  -0.00047   0.00239   0.00191  -0.00281
   D38       -3.12599   0.00007  -0.00236   0.00714   0.00478  -3.12122
   D39        3.13910   0.00001  -0.00304   0.00790   0.00485  -3.13924
   D40        0.01783   0.00002  -0.00493   0.01264   0.00771   0.02554
   D41       -1.43629   0.00031  -0.00994   0.03358   0.02359  -1.41270
   D42        1.58275  -0.00077   0.01293  -0.04901  -0.03602   1.54673
   D43        2.69212   0.00103  -0.00468   0.02803   0.02327   2.71539
   D44       -0.57202  -0.00005   0.01819  -0.05456  -0.03634  -0.60836
   D45        0.68823   0.00012  -0.01460   0.04368   0.02906   0.71728
   D46       -2.57591  -0.00097   0.00827  -0.03891  -0.03056  -2.60647
   D47       -0.57061  -0.00096   0.01611  -0.05941  -0.04337  -0.61397
   D48       -2.67661  -0.00029   0.02213  -0.06870  -0.04664  -2.72325
   D49        1.53959  -0.00112   0.01115  -0.04842  -0.03734   1.50225
   D50        2.68355   0.00020  -0.00479   0.01654   0.01182   2.69537
   D51        0.57755   0.00087   0.00123   0.00724   0.00854   0.58609
   D52       -1.48943   0.00004  -0.00976   0.02753   0.01784  -1.47159
   D53       -3.11942   0.00002   0.00506  -0.00988  -0.00486  -3.12428
   D54        0.00138   0.00018   0.00673  -0.01665  -0.00997  -0.00858
   D55       -0.10046  -0.00108   0.02796  -0.09264  -0.06465  -0.16511
   D56        3.02034  -0.00092   0.02962  -0.09942  -0.06975   2.95059
   D57        2.92892  -0.00081   0.03283  -0.09793  -0.06508   2.86385
   D58        0.13784   0.00101  -0.02175   0.07684   0.05507   0.19291
   D59       -0.23333  -0.00067   0.03447  -0.10465  -0.07016  -0.30349
   D60       -3.02441   0.00116  -0.02011   0.07012   0.04999  -2.97442
   D61       -1.70157   0.00778   0.00106  -0.00232  -0.00139  -1.70296
   D62        2.42054  -0.00875  -0.00658   0.01032   0.00361   2.42415
   D63        0.34169   0.00192  -0.00108   0.01529   0.01410   0.35579
   D64        1.10896   0.00626   0.05273  -0.16720  -0.11435   0.99462
   D65       -1.05211  -0.01027   0.04509  -0.15456  -0.10935  -1.16146
   D66       -3.13096   0.00040   0.05060  -0.14959  -0.09886   3.05336
   D67       -0.41039   0.00736   0.05937  -0.08280  -0.02347  -0.43386
   D68        2.75347  -0.00128   0.01520  -0.00439   0.01081   2.76428
   D69        1.72180   0.00548   0.05541  -0.08095  -0.02549   1.69631
   D70       -1.39754  -0.00316   0.01124  -0.00254   0.00879  -1.38875
   D71       -2.44357   0.01059   0.06769  -0.10225  -0.03462  -2.47819
   D72        0.72028   0.00195   0.02352  -0.02384  -0.00034   0.71994
   D73        1.13500   0.00184  -0.01493   0.10985   0.09499   1.22998
   D74       -2.96486   0.00848  -0.00369   0.09856   0.09487  -2.86999
   D75       -0.92867   0.00200  -0.00792   0.08473   0.07681  -0.85185
   D76       -0.97467   0.00906  -0.01250   0.11942   0.10691  -0.86776
   D77        1.20866   0.01570  -0.00126   0.10813   0.10680   1.31546
   D78       -3.03834   0.00922  -0.00549   0.09430   0.08874  -2.94960
   D79       -3.08592  -0.00110  -0.02563   0.12451   0.09895  -2.98697
   D80       -0.90259   0.00554  -0.01438   0.11322   0.09883  -0.80376
   D81        1.13360  -0.00094  -0.01862   0.09939   0.08077   1.21437
   D82        3.13128   0.02406   0.04624   0.06128   0.10764  -3.04427
   D83        0.05513   0.01552   0.01380   0.09776   0.11149   0.16662
   D84        0.01156   0.01558   0.00304   0.13851   0.14163   0.15319
   D85       -3.06458   0.00703  -0.02940   0.17499   0.14548  -2.91911
   D86        2.05617  -0.00074  -0.01141   0.04024   0.02896   2.08513
   D87       -2.08710  -0.00343  -0.00370   0.02822   0.02453  -2.06257
   D88       -0.00181   0.00322   0.00202   0.02321   0.02532   0.02352
   D89       -1.14642   0.00706   0.01892   0.00605   0.02494  -1.12148
   D90        0.99349   0.00437   0.02662  -0.00597   0.02051   1.01400
   D91        3.07878   0.01102   0.03234  -0.01098   0.02130   3.10009
   D92        0.95533   0.00897   0.00368   0.01446   0.01821   0.97353
   D93       -1.18052   0.00895   0.00429   0.01057   0.01491  -1.16561
   D94        3.13370   0.00840  -0.00248   0.02199   0.01957  -3.12992
   D95       -1.18432  -0.00885  -0.01586   0.03232   0.01640  -1.16793
   D96        2.96302  -0.00887  -0.01526   0.02843   0.01310   2.97611
   D97        0.99405  -0.00942  -0.02202   0.03986   0.01776   1.01181
   D98        3.00741   0.00117  -0.00441   0.02765   0.02326   3.03067
   D99        0.87157   0.00115  -0.00381   0.02376   0.01996   0.89153
   D100      -1.09740   0.00059  -0.01057   0.03518   0.02462  -1.07278
   D101       1.10041   0.01764   0.00602   0.07286   0.07888   1.17928
   D102      -1.05019   0.00812  -0.00595   0.07217   0.06626  -0.98394
   D103      -3.06989   0.01025   0.00085   0.05487   0.05572  -3.01417
   D104      -3.05653   0.00879   0.01462   0.04989   0.06446  -2.99207
   D105       1.07605  -0.00074   0.00265   0.04920   0.05185   1.12790
   D106      -0.94365   0.00139   0.00945   0.03190   0.04131  -0.90234
   D107      -0.97213   0.00639  -0.00100   0.06808   0.06709  -0.90504
   D108      -3.12273  -0.00314  -0.01296   0.06739   0.05447  -3.06826
   D109       1.14076  -0.00101  -0.00616   0.05010   0.04393   1.18469
   D110      -1.58482  -0.00001  -0.00591   0.01496   0.00904  -1.57578
   D111       1.56725  -0.00016  -0.00996   0.02313   0.01316   1.58041
   D112       0.52877   0.00022  -0.00622   0.02007   0.01385   0.54262
   D113      -2.60235   0.00008  -0.01028   0.02824   0.01797  -2.58438
   D114       2.53114   0.00068  -0.00050   0.00921   0.00871   2.53986
   D115      -0.59997   0.00054  -0.00456   0.01738   0.01283  -0.58714
   D116      -3.14132  -0.00006  -0.00259   0.00608   0.00349  -3.13783
   D117      -0.00540   0.00003  -0.00227   0.00522   0.00294  -0.00246
   D118      -0.01014   0.00009   0.00144  -0.00206  -0.00061  -0.01075
   D119       3.12578   0.00018   0.00176  -0.00292  -0.00115   3.12463
   D120      -3.14148   0.00006   0.00252  -0.00568  -0.00317   3.13853
   D121       0.01453  -0.00005   0.00203  -0.00658  -0.00455   0.00998
   D122       0.01057  -0.00009  -0.00153   0.00246   0.00093   0.01150
   D123      -3.11660  -0.00020  -0.00202   0.00157  -0.00045  -3.11706
   D124       0.00217  -0.00001  -0.00033   0.00020  -0.00013   0.00204
   D125       3.13949   0.00005   0.00009  -0.00016  -0.00007   3.13943
   D126      -3.13374  -0.00011  -0.00065   0.00105   0.00040  -3.13334
   D127       0.00358  -0.00004  -0.00022   0.00069   0.00046   0.00404
   D128       0.00536  -0.00004  -0.00067   0.00125   0.00058   0.00594
   D129       3.13901   0.00008  -0.00026   0.00205   0.00179   3.14080
   D130      -3.13196  -0.00011  -0.00110   0.00162   0.00052  -3.13144
   D131       0.00169   0.00001  -0.00069   0.00242   0.00174   0.00343
   D132      -0.00491   0.00003   0.00057  -0.00085  -0.00027  -0.00518
   D133       3.13128   0.00012   0.00130  -0.00126   0.00004   3.13132
   D134      -3.13856  -0.00009   0.00017  -0.00167  -0.00150  -3.14006
   D135      -0.00238   0.00000   0.00089  -0.00209  -0.00119  -0.00357
   D136      -0.00307   0.00003   0.00053  -0.00101  -0.00048  -0.00355
   D137       3.12407   0.00015   0.00104  -0.00012   0.00092   3.12499
   D138      -3.13928  -0.00005  -0.00019  -0.00060  -0.00079  -3.14007
   D139      -0.01214   0.00007   0.00032   0.00028   0.00061  -0.01153
   D140      -1.21681  -0.00443   0.01763  -0.06735  -0.04961  -1.26642
   D141       3.08540  -0.00421   0.01204  -0.06755  -0.05539   3.03001
   D142       0.88576  -0.00255   0.02437  -0.08667  -0.06219   0.82357
   D143       0.93924   0.00143   0.02886  -0.07256  -0.04372   0.89553
   D144      -1.04173   0.00165   0.02327  -0.07275  -0.04950  -1.09123
   D145       3.04182   0.00331   0.03560  -0.09188  -0.05630   2.98552
   D146       2.97872  -0.00190   0.01942  -0.05532  -0.03599   2.94272
   D147       0.99774  -0.00168   0.01383  -0.05551  -0.04178   0.95596
   D148      -1.20190  -0.00002   0.02616  -0.07463  -0.04858  -1.25047
   D149       2.34414   0.00122   0.01357  -0.04453  -0.03094   2.31320
   D150      -1.85798  -0.00046   0.01543  -0.04489  -0.02948  -1.88746
   D151       0.22901  -0.00140   0.00842  -0.02965  -0.02123   0.20779
   D152      -1.02640   0.00323   0.01860  -0.03931  -0.02068  -1.04708
   D153       3.11398   0.00301   0.01382  -0.02864  -0.01479   3.09919
   D154       1.09873   0.00311   0.01747  -0.03800  -0.02051   1.07822
   D155      -3.02577  -0.00361   0.00756  -0.03171  -0.02414  -3.04991
   D156       1.11461  -0.00383   0.00278  -0.02104  -0.01826   1.09635
   D157      -0.90064  -0.00373   0.00643  -0.03040  -0.02398  -0.92462
   D158       1.17780   0.00013   0.00933  -0.03014  -0.02083   1.15697
   D159      -0.96501  -0.00009   0.00454  -0.01947  -0.01494  -0.97995
   D160      -2.98025   0.00001   0.00820  -0.02883  -0.02066  -3.00091
   D161       3.07592  -0.00016   0.00363  -0.01288  -0.00925   3.06667
   D162      -1.04443  -0.00076  -0.00295  -0.00336  -0.00631  -1.05074
   D163       0.95156  -0.00034  -0.00031  -0.00578  -0.00608   0.94548
   D164      -1.08740   0.00011   0.00863  -0.02139  -0.01276  -1.10015
   D165       1.07544  -0.00049   0.00205  -0.01186  -0.00981   1.06563
   D166       3.07143  -0.00007   0.00469  -0.01429  -0.00959   3.06184
   D167       0.95937   0.00035   0.01166  -0.02765  -0.01600   0.94338
   D168       3.12221  -0.00024   0.00508  -0.01813  -0.01305   3.10916
   D169      -1.16498   0.00018   0.00772  -0.02055  -0.01283  -1.17781
   D170       1.11337   0.00033   0.00146   0.00536   0.00686   1.12023
   D171      -2.12616  -0.00005   0.01581  -0.04366  -0.02789  -2.15405
   D172      -1.03661   0.00014  -0.00266   0.01272   0.01010  -1.02651
   D173       2.00704  -0.00024   0.01169  -0.03630  -0.02465   1.98239
   D174      -3.12253  -0.00016  -0.00758   0.02385   0.01632  -3.10621
   D175      -0.07888  -0.00054   0.00678  -0.02516  -0.01843  -0.09731
   D176       1.69804  -0.00009  -0.00879   0.02178   0.01298   1.71103
   D177      -1.44407  -0.00006  -0.00923   0.02381   0.01457  -1.42950
   D178      -0.44866   0.00005  -0.00402   0.01360   0.00958  -0.43908
   D179       2.69241   0.00008  -0.00447   0.01563   0.01117   2.70358
   D180      -2.46833   0.00038  -0.00263   0.01129   0.00866  -2.45967
   D181       0.67275   0.00042  -0.00308   0.01332   0.01024   0.68299
   D182      -3.14112   0.00001  -0.00024   0.00089   0.00065  -3.14047
   D183       0.00316   0.00000   0.00061  -0.00172  -0.00111   0.00205
   D184       0.00099  -0.00002   0.00021  -0.00114  -0.00093   0.00006
   D185      -3.13791  -0.00004   0.00105  -0.00375  -0.00270  -3.14061
   D186      -3.14151  -0.00001   0.00026  -0.00094  -0.00068   3.14099
   D187      -0.00094  -0.00003   0.00024  -0.00124  -0.00100  -0.00194
   D188      -0.00044   0.00002  -0.00019   0.00109   0.00091   0.00047
   D189       3.14014   0.00000  -0.00020   0.00079   0.00059   3.14073
   D190      -0.00038   0.00001  -0.00011   0.00046   0.00035  -0.00003
   D191      -3.14139   0.00001   0.00024  -0.00058  -0.00034   3.14145
   D192       3.13852   0.00002  -0.00096   0.00307   0.00212   3.14064
   D193      -0.00249   0.00002  -0.00060   0.00203   0.00143  -0.00106
   D194      -0.00078   0.00001   0.00000   0.00026   0.00026  -0.00052
   D195      -3.14042   0.00000   0.00003  -0.00021  -0.00018  -3.14060
   D196       3.14023   0.00001  -0.00036   0.00131   0.00095   3.14118
   D197       0.00058   0.00000  -0.00033   0.00084   0.00051   0.00110
   D198       0.00134  -0.00001   0.00002  -0.00031  -0.00028   0.00105
   D199      -3.13906  -0.00001   0.00003  -0.00040  -0.00036  -3.13942
   D200       3.14099   0.00000  -0.00001   0.00016   0.00015   3.14114
   D201       0.00059   0.00000   0.00000   0.00007   0.00007   0.00066
   D202      -0.00073   0.00000   0.00007  -0.00037  -0.00030  -0.00103
   D203      -3.14132   0.00002   0.00009  -0.00008   0.00001  -3.14130
   D204       3.13967  -0.00001   0.00006  -0.00027  -0.00021   3.13945
   D205      -0.00092   0.00002   0.00008   0.00002   0.00010  -0.00083
   D206      -0.09050  -0.00012   0.00925  -0.02114  -0.01181  -0.10231
   D207       3.05840   0.00055   0.01233  -0.03797  -0.02558   3.03282
   D208      -3.13137   0.00012  -0.00550   0.02863   0.02307  -3.10830
   D209       0.01753   0.00080  -0.00242   0.01180   0.00930   0.02683
   D210       2.90826  -0.00127   0.02977  -0.08474  -0.05499   2.85327
   D211      -0.22658  -0.00065   0.03270  -0.10037  -0.06765  -0.29423
   D212      -1.44429   0.00013   0.03464  -0.09201  -0.05747  -1.50176
   D213       2.77336   0.00000   0.03000  -0.08519  -0.05502   2.71834
   D214       0.74768  -0.00171   0.03509  -0.10668  -0.07166   0.67601
   D215      -0.14571  -0.00099   0.00917  -0.03721  -0.02798  -0.17369
   D216       3.01208  -0.00117   0.00938  -0.04163  -0.03219   2.97989
   D217       1.77345   0.00094   0.02204  -0.05315  -0.03105   1.74240
   D218      -1.35195   0.00076   0.02225  -0.05757  -0.03526  -1.38721
   D219      -2.27983  -0.00053   0.00326  -0.01679  -0.01366  -2.29349
   D220       0.87796  -0.00071   0.00347  -0.02122  -0.01787   0.86008
   D221      -3.12424  -0.00037   0.00065  -0.00779  -0.00716  -3.13140
   D222       0.01235  -0.00032   0.00015  -0.00554  -0.00540   0.00695
   D223       0.00253  -0.00019   0.00052  -0.00386  -0.00334  -0.00081
   D224       3.13912  -0.00015   0.00002  -0.00161  -0.00159   3.13754
   D225       3.12479   0.00029  -0.00026   0.00553   0.00524   3.13003
   D226      -0.00355   0.00013  -0.00005   0.00178   0.00173  -0.00182
   D227       0.00049   0.00017  -0.00088   0.00458   0.00370   0.00419
   D228      -3.13656   0.00013  -0.00037   0.00242   0.00206  -3.13451
   D229      -0.00328  -0.00007   0.00081  -0.00302  -0.00220  -0.00549
   D230       3.14101  -0.00009   0.00071  -0.00273  -0.00202   3.13899
   D231       0.00401  -0.00002  -0.00044   0.00075   0.00031   0.00431
   D232      -3.14015  -0.00001  -0.00037   0.00054   0.00017  -3.13998
   D233       0.13999   0.00191   0.00081   0.00550   0.00632   0.14631
   D234       2.23236   0.00245   0.00525  -0.00497   0.00030   2.23265
   D235      -1.96535   0.00217  -0.00067   0.00905   0.00839  -1.95697
   D236      -2.02605  -0.00330  -0.01586   0.03734   0.02149  -2.00456
   D237       0.06632  -0.00275  -0.01142   0.02687   0.01547   0.08178
   D238       2.15180  -0.00304  -0.01735   0.04089   0.02356   2.17535
   D239       2.18064   0.00079  -0.00532   0.02434   0.01900   2.19963
   D240      -2.01018   0.00133  -0.00088   0.01387   0.01297  -1.99721
   D241       0.07530   0.00105  -0.00681   0.02789   0.02106   0.09636
   D242       2.80412  -0.00236  -0.01916   0.04795   0.02888   2.83301
   D243      -1.39946  -0.00124  -0.01751   0.05174   0.03435  -1.36511
   D244       0.71217  -0.00057  -0.01184   0.03719   0.02543   0.73759
   D245      -1.29466   0.00055  -0.00724   0.03246   0.02520  -1.26946
   D246       0.78495   0.00167  -0.00559   0.03624   0.03066   0.81561
   D247       2.89657   0.00234   0.00007   0.02169   0.02174   2.91831
   D248       0.78681   0.00062  -0.01690   0.05699   0.04000   0.82681
   D249       2.86641   0.00175  -0.01525   0.06078   0.04547   2.91188
   D250      -1.30515   0.00241  -0.00958   0.04623   0.03655  -1.26860
   D251       0.00273  -0.00003   0.00034  -0.00163  -0.00128   0.00145
   D252       3.12561  -0.00003   0.00196  -0.00557  -0.00362   3.12199
         Item               Value     Threshold  Converged?
 Maximum Force            0.028794     0.000450     NO 
 RMS     Force            0.004095     0.000300     NO 
 Maximum Displacement     1.324137     0.001800     NO 
 RMS     Displacement     0.267460     0.001200     NO 
 Predicted change in Energy=-1.222653D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.711505   -2.662908    0.494765
      2          6           0       -9.355404   -1.453657   -0.373260
      3          6           0      -10.266175   -0.260643   -0.073125
      4          6           0       -7.923299   -1.052246   -0.232444
      5          7           0       -7.194826   -0.458382   -1.141676
      6          6           0       -5.872940   -0.178391   -0.685989
      7          6           0       -4.948411    0.502548   -1.653625
      8          7           0       -4.701697    1.905110   -1.278506
      9          6           0       -5.737055    2.897198   -1.658194
     10          6           0       -3.679572    2.340298   -0.418876
     11          8           0       -3.541197    3.526318   -0.133738
     12          7           0       -2.829630    1.352771    0.135407
     13          6           0       -1.555919    1.794659    0.736917
     14          6           0       -0.452213    1.593274   -0.326116
     15          8           0       -0.552492    0.774475   -1.229015
     16          7           0        0.698280    2.347450   -0.161734
     17          6           0        1.771756    2.326491   -1.189161
     18          6           0        1.958872    3.767634   -1.737001
     19          6           0        2.250044    4.803150   -0.689615
     20          6           0        1.195079    5.495452   -0.074695
     21          6           0        1.467218    6.461502    0.896046
     22          6           0        2.785875    6.746352    1.258815
     23          6           0        3.837868    6.064532    0.640431
     24          6           0        3.575171    5.096148   -0.333353
     25          6           0        3.093625    1.782622   -0.611691
     26          6           0        3.003761    0.296955   -0.254675
     27          8           0        2.184891    0.219698    0.926868
     28          6           0        4.376094   -0.301255    0.179876
     29          6           0        5.431720   -0.178718   -0.940472
     30          6           0        6.781872   -0.659885   -0.488680
     31          6           0        7.202524   -1.959587   -0.808762
     32          6           0        8.458590   -2.404865   -0.385894
     33          6           0        9.295138   -1.563468    0.352323
     34          6           0        8.873477   -0.269588    0.668791
     35          6           0        7.618418    0.185712    0.251182
     36          7           0        4.175667   -1.727577    0.562015
     37          6           0        3.767149   -2.672348   -0.359107
     38          8           0        3.425411   -2.534293   -1.510980
     39          8           0        3.815376   -3.926255    0.281085
     40          6           0        3.070935   -4.991265   -0.394103
     41          6           0        1.664520   -4.939309    0.055440
     42          6           0        1.091706   -4.220704    1.062227
     43          7           0       -0.304469   -4.424827    1.227141
     44          6           0       -0.786806   -5.282514    0.370673
     45         16           0        0.452071   -5.917801   -0.737074
     46          6           0       -1.278606    1.023797    2.046140
     47          6           0       -0.927639   -0.443018    1.787890
     48          6           0       -0.188444    1.753371    2.833577
     49          6           0       -5.607410   -0.574965    0.589471
     50         16           0       -7.020053   -1.319736    1.280990
     51          1           0      -10.789375   -2.870162    0.453304
     52          1           0       -9.183898   -3.567021    0.169862
     53          1           0       -9.478729   -2.513848    1.557419
     54          1           0       -9.517479   -1.770457   -1.445936
     55          1           0      -10.358437   -0.076116    1.006248
     56          1           0       -9.892061    0.663286   -0.528896
     57          1           0      -11.281930   -0.435405   -0.449127
     58          1           0       -3.978510   -0.049867   -1.730694
     59          1           0       -5.380158    0.472873   -2.688535
     60          1           0       -6.188076    2.632417   -2.624161
     61          1           0       -5.283935    3.906188   -1.726883
     62          1           0       -6.531869    2.956934   -0.893211
     63          1           0       -2.844106    0.396330   -0.202750
     64          1           0       -1.645197    2.896479    0.983443
     65          1           0        0.884475    2.888440    0.672566
     66          1           0        1.445962    1.658178   -2.029886
     67          1           0        1.031666    4.041397   -2.292494
     68          1           0        2.748410    3.764793   -2.513092
     69          1           0        0.163870    5.284110   -0.358076
     70          1           0        0.645406    6.998694    1.370103
     71          1           0        2.995964    7.499982    2.014925
     72          1           0        4.869047    6.288364    0.911498
     73          1           0        4.396465    4.579294   -0.822818
     74          1           0        3.403949    2.376289    0.269205
     75          1           0        3.876784    1.920137   -1.387995
     76          1           0        2.542558   -0.290105   -1.076450
     77          1           0        1.502754   -0.474569    0.825598
     78          1           0        4.739541    0.224548    1.102163
     79          1           0        5.087275   -0.727863   -1.843643
     80          1           0        5.497857    0.885031   -1.260006
     81          1           0        6.555565   -2.616883   -1.383375
     82          1           0        8.782351   -3.415278   -0.636136
     83          1           0       10.272903   -1.912053    0.679613
     84          1           0        9.524551    0.387904    1.241982
     85          1           0        7.305971    1.194579    0.505424
     86          1           0        4.460163   -2.013800    1.492531
     87          1           0        3.617225   -5.887522   -0.003263
     88          1           0        3.202514   -4.878473   -1.486463
     89          1           0        1.576958   -3.526651    1.738602
     90          1           0       -1.820422   -5.608949    0.292855
     91          1           0       -2.222720    1.075809    2.650605
     92          1           0       -0.786054   -0.674331    0.722619
     93          1           0        0.004893   -0.741935    2.280533
     94          1           0       -1.707095   -1.119286    2.154210
     95          1           0       -0.183575    1.431301    3.880578
     96          1           0        0.817537    1.557740    2.434572
     97          1           0       -0.332618    2.836684    2.822234
     98          1           0       -4.697924   -0.462120    1.161895
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0636129      0.0275660      0.0204133
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3516.2069656913 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.235409932481     A.U. after   19 cycles
             Convg  =    0.9719D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000677635   -0.002046038    0.002543091
      2        6           0.000534794    0.005662070    0.001261622
      3        6           0.002476666   -0.001768108    0.002256747
      4        6           0.001982076   -0.000449232    0.002687291
      5        7          -0.005663003   -0.002030994   -0.003948556
      6        6           0.004119633    0.004977406   -0.000434141
      7        6          -0.001776628    0.000641449    0.000676237
      8        7          -0.001616612   -0.001521789   -0.007345406
      9        6           0.002268555   -0.002751764    0.002562753
     10        6           0.000809799    0.000446874    0.001705450
     11        8          -0.000367296    0.000189150   -0.000824009
     12        7           0.005524024   -0.003559851    0.004766177
     13        6           0.000865212    0.000475840   -0.011180125
     14        6          -0.004018241   -0.004179773    0.010915556
     15        8           0.001351639    0.004099211   -0.003884861
     16        7          -0.001048593    0.003863403   -0.007855214
     17        6           0.001175423   -0.006557119    0.000506951
     18        6           0.001373679    0.004569849   -0.001079167
     19        6          -0.000750764    0.001099825   -0.000146243
     20        6          -0.000157004   -0.000161455    0.000440231
     21        6           0.002143125   -0.000087125    0.000003955
     22        6          -0.001469163   -0.001191590    0.000080619
     23        6          -0.001537143    0.000792897   -0.000121756
     24        6           0.000679781   -0.000900099   -0.000041701
     25        6          -0.002511705    0.001653456   -0.003041440
     26        6           0.002122948   -0.003746445    0.001613198
     27        8           0.000057431   -0.002031947    0.002282518
     28        6          -0.004332078    0.002862589    0.000067645
     29        6           0.002168601   -0.003160006   -0.001198895
     30        6           0.002167665    0.002390045   -0.001044997
     31        6          -0.001984572   -0.002346537    0.000639689
     32        6           0.000544922    0.002592960    0.000132838
     33        6          -0.000894608   -0.000430977    0.000397620
     34        6           0.000952845   -0.000601682   -0.000613523
     35        6          -0.002556041   -0.001732862    0.001378685
     36        7           0.002394478    0.001706395   -0.003492076
     37        6          -0.004083946   -0.004505654    0.010752259
     38        8           0.000984876    0.002904162   -0.004663672
     39        8           0.002253588    0.002637433   -0.006029828
     40        6          -0.003983541   -0.008002172    0.005618370
     41        6          -0.001676886    0.004762378   -0.000340550
     42        6           0.007623105    0.001843355    0.001587569
     43        7          -0.002925124   -0.005136534   -0.000458891
     44        6           0.000637580    0.004004334   -0.000276241
     45       16          -0.000547683   -0.000658936   -0.000250980
     46        6          -0.000685332    0.000696272    0.002526369
     47        6          -0.001587177    0.000936402    0.001816917
     48        6          -0.002095308   -0.000592307    0.001019547
     49        6          -0.000159708   -0.002216882    0.003423881
     50       16          -0.001075401   -0.001326162    0.000468150
     51        1          -0.000938472    0.000875262   -0.000605845
     52        1          -0.000074510    0.000142160   -0.000260202
     53        1           0.000207203   -0.000123286   -0.000553339
     54        1          -0.000010814   -0.001739467   -0.002057611
     55        1          -0.001060955   -0.000078895   -0.000699544
     56        1          -0.000056469    0.000454190   -0.001088788
     57        1          -0.000776107   -0.000124693   -0.000615552
     58        1           0.000660815    0.000241959    0.000655042
     59        1           0.000819179   -0.000408255    0.000165243
     60        1          -0.000090765    0.000308850   -0.000690099
     61        1          -0.000909179    0.000856935   -0.000431881
     62        1           0.000082491    0.001435566    0.000132080
     63        1          -0.003140119    0.002897128   -0.001001311
     64        1           0.000617628    0.000566631   -0.000942732
     65        1           0.001397596   -0.002212490    0.000750408
     66        1           0.000972810    0.002502262   -0.001304759
     67        1          -0.000174512   -0.000761497    0.000110070
     68        1          -0.000932658   -0.000055445    0.000138493
     69        1           0.000096524   -0.000046971   -0.000025195
     70        1          -0.000087306    0.000169541   -0.000005690
     71        1           0.000217818    0.000077444    0.000017250
     72        1           0.000498743   -0.000150068    0.000055010
     73        1          -0.000245834   -0.000392967    0.000313522
     74        1           0.000382998   -0.000222343    0.001115855
     75        1          -0.001036826   -0.002451465    0.000825953
     76        1          -0.000269067    0.002359649    0.000192893
     77        1           0.001062659    0.000525898   -0.000219832
     78        1           0.001392482   -0.000403056   -0.000253389
     79        1          -0.000565707    0.001075770    0.000303497
     80        1          -0.000296038    0.000860589   -0.000083084
     81        1           0.000194649    0.001074486    0.000035793
     82        1          -0.000044771   -0.000523128   -0.000080282
     83        1           0.000103679    0.000331852   -0.000009151
     84        1           0.000030059   -0.000315231   -0.000049804
     85        1           0.000849834    0.000228953   -0.000486419
     86        1          -0.000875822   -0.000591568    0.001753544
     87        1           0.002472472    0.001171468   -0.003235210
     88        1           0.000222053    0.002183400   -0.000882915
     89        1          -0.000928202   -0.000848043    0.000062500
     90        1          -0.001031700   -0.001488012   -0.000079110
     91        1           0.000175753    0.001232091    0.000886844
     92        1           0.001234633    0.000587602   -0.000204935
     93        1           0.000387775   -0.001189971    0.001242437
     94        1           0.000386843    0.000067186    0.000239244
     95        1          -0.000301123   -0.000255880    0.000407237
     96        1          -0.001266078    0.001077965    0.000869255
     97        1           0.001416904   -0.002100916    0.000603727
     98        1           0.000842905    0.001065097   -0.000868879
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.011180125 RMS     0.002338276

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.009308475 RMS     0.001192670
 Search for a local minimum.
 Step number   7 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    6    7
 DE= -4.39D-03 DEPred=-1.22D-02 R= 3.59D-01
 Trust test= 3.59D-01 RLast= 5.93D-01 DXMaxT set to 1.43D+00
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00313   0.00322   0.00400   0.00479   0.00566
     Eigenvalues ---    0.00591   0.00638   0.00657   0.00704   0.00801
     Eigenvalues ---    0.00865   0.00899   0.00922   0.00936   0.00986
     Eigenvalues ---    0.01032   0.01080   0.01136   0.01190   0.01227
     Eigenvalues ---    0.01254   0.01268   0.01294   0.01342   0.01361
     Eigenvalues ---    0.01398   0.01414   0.01433   0.01471   0.01542
     Eigenvalues ---    0.01565   0.01600   0.01612   0.01637   0.01750
     Eigenvalues ---    0.01757   0.01926   0.01942   0.01969   0.01983
     Eigenvalues ---    0.02075   0.02184   0.02194   0.02203   0.02220
     Eigenvalues ---    0.02222   0.02258   0.02268   0.02289   0.02327
     Eigenvalues ---    0.02373   0.02407   0.02408   0.02415   0.02448
     Eigenvalues ---    0.02483   0.02485   0.02527   0.02528   0.02611
     Eigenvalues ---    0.02701   0.02741   0.02893   0.03875   0.03958
     Eigenvalues ---    0.04028   0.04175   0.04334   0.04383   0.04500
     Eigenvalues ---    0.04740   0.04815   0.04839   0.04870   0.05020
     Eigenvalues ---    0.05029   0.05112   0.05256   0.05351   0.05367
     Eigenvalues ---    0.05440   0.05456   0.05496   0.05527   0.05626
     Eigenvalues ---    0.05675   0.05733   0.05795   0.05821   0.05825
     Eigenvalues ---    0.05896   0.06054   0.06216   0.06318   0.06474
     Eigenvalues ---    0.06747   0.06998   0.07253   0.07392   0.07397
     Eigenvalues ---    0.07940   0.08558   0.09427   0.09888   0.10005
     Eigenvalues ---    0.11949   0.12421   0.12891   0.13176   0.13268
     Eigenvalues ---    0.13878   0.14238   0.14829   0.15907   0.15946
     Eigenvalues ---    0.15988   0.15997   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16004
     Eigenvalues ---    0.16037   0.16077   0.16160   0.16285   0.16700
     Eigenvalues ---    0.16773   0.17033   0.17192   0.17324   0.17853
     Eigenvalues ---    0.18002   0.18214   0.18339   0.18949   0.20635
     Eigenvalues ---    0.21295   0.21846   0.21878   0.21981   0.21992
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22031   0.22039
     Eigenvalues ---    0.22210   0.22488   0.23418   0.23485   0.23542
     Eigenvalues ---    0.23694   0.23738   0.24218   0.24563   0.24757
     Eigenvalues ---    0.24774   0.24982   0.24992   0.24996   0.24997
     Eigenvalues ---    0.24998   0.25000   0.25000   0.25007   0.25042
     Eigenvalues ---    0.25485   0.28930   0.29282   0.29472   0.29761
     Eigenvalues ---    0.29890   0.29924   0.30112   0.30247   0.30326
     Eigenvalues ---    0.30705   0.30964   0.31160   0.31332   0.31415
     Eigenvalues ---    0.31433   0.31503   0.31525   0.31571   0.31676
     Eigenvalues ---    0.31977   0.32134   0.32387   0.32434   0.32447
     Eigenvalues ---    0.32615   0.32723   0.32774   0.32811   0.32876
     Eigenvalues ---    0.32964   0.32992   0.33029   0.33062   0.33121
     Eigenvalues ---    0.33179   0.33192   0.33301   0.33456   0.33563
     Eigenvalues ---    0.33626   0.33661   0.33680   0.33727   0.33980
     Eigenvalues ---    0.33994   0.34079   0.34165   0.34198   0.34253
     Eigenvalues ---    0.34331   0.34352   0.34364   0.34454   0.34504
     Eigenvalues ---    0.34630   0.34662   0.34723   0.35747   0.36070
     Eigenvalues ---    0.36250   0.36312   0.36375   0.36628   0.36846
     Eigenvalues ---    0.36950   0.37647   0.38479   0.39237   0.39395
     Eigenvalues ---    0.41222   0.41649   0.41977   0.42531   0.42662
     Eigenvalues ---    0.43050   0.43244   0.44129   0.44205   0.44972
     Eigenvalues ---    0.45092   0.45796   0.47545   0.48194   0.48366
     Eigenvalues ---    0.48414   0.48574   0.48624   0.49196   0.49797
     Eigenvalues ---    0.50401   0.50930   0.51202   0.51366   0.56310
     Eigenvalues ---    0.57117   0.58771   0.62013   0.63813   0.65242
     Eigenvalues ---    0.75838   0.78021   0.841281000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-1.08896692D-02 EMin= 3.12673504D-03
 Quartic linear search produced a step of -0.36420.
 Iteration  1 RMS(Cart)=  0.35235449 RMS(Int)=  0.00715777
 Iteration  2 RMS(Cart)=  0.03844479 RMS(Int)=  0.00054512
 Iteration  3 RMS(Cart)=  0.00033174 RMS(Int)=  0.00053763
 Iteration  4 RMS(Cart)=  0.00000049 RMS(Int)=  0.00053763
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89231   0.00068  -0.00107   0.00297   0.00190   2.89421
    R2        2.07567  -0.00045  -0.00018  -0.00068  -0.00086   2.07481
    R3        2.07126   0.00006  -0.00046   0.00343   0.00297   2.07422
    R4        2.07495  -0.00026  -0.00198  -0.00088  -0.00286   2.07209
    R5        2.89250   0.00126   0.00001   0.01406   0.01407   2.90657
    R6        2.82315   0.00153   0.00288   0.00363   0.00651   2.82967
    R7        2.13570  -0.00030  -0.00118  -0.00507  -0.00624   2.12945
    R8        2.07664  -0.00075  -0.00191  -0.00540  -0.00731   2.06934
    R9        2.07124   0.00073  -0.00026   0.00877   0.00851   2.07975
   R10        2.07326  -0.00057  -0.00069  -0.00304  -0.00373   2.06953
   R11        2.47117   0.00464   0.00133   0.02322   0.02454   2.49572
   R12        3.36875   0.00129  -0.00438  -0.00428  -0.00867   3.36007
   R13        2.69472  -0.00357  -0.00214  -0.02592  -0.02806   2.66666
   R14        2.83758   0.00199   0.00197   0.00894   0.01092   2.84850
   R15        2.57348   0.00257  -0.00033   0.02167   0.02136   2.59484
   R16        2.78295   0.00271  -0.00048   0.01177   0.01129   2.79424
   R17        2.11431  -0.00043  -0.00039  -0.00677  -0.00716   2.10715
   R18        2.11980  -0.00027  -0.00042  -0.00324  -0.00366   2.11614
   R19        2.80315   0.00007  -0.00013  -0.00082  -0.00095   2.80220
   R20        2.65444   0.00104   0.00133  -0.00183  -0.00050   2.65394
   R21        2.07579   0.00061   0.00039   0.00627   0.00666   2.08245
   R22        2.09419  -0.00022  -0.00055  -0.00235  -0.00290   2.09129
   R23        2.08769  -0.00018  -0.00052  -0.00154  -0.00207   2.08563
   R24        2.31990   0.00013   0.00006   0.00200   0.00206   2.32196
   R25        2.67571   0.00196  -0.00024  -0.00514  -0.00537   2.67033
   R26        2.78978   0.00195  -0.00091   0.00914   0.00822   2.79800
   R27        1.91725   0.00316  -0.00206   0.00908   0.00702   1.92427
   R28        2.92069   0.00129   0.00108   0.00785   0.00893   2.92962
   R29        2.91851   0.00931   0.00271   0.02854   0.03126   2.94977
   R30        2.14028   0.00020   0.00027  -0.00082  -0.00056   2.13972
   R31        2.31112   0.00413  -0.00117   0.00740   0.00624   2.31736
   R32        2.61810   0.00253   0.00300   0.00527   0.00827   2.62637
   R33        2.80826  -0.00096  -0.00236  -0.00258  -0.00495   2.80331
   R34        1.91170   0.00251  -0.00053   0.01395   0.01342   1.92513
   R35        2.93488  -0.00127   0.00143  -0.00949  -0.00806   2.92682
   R36        2.91325   0.00311   0.00112   0.00794   0.00906   2.92231
   R37        2.12088   0.00267   0.00255   0.02060   0.02315   2.14402
   R38        2.83717   0.00075   0.00122   0.00098   0.00220   2.83937
   R39        2.10705  -0.00049  -0.00056  -0.00494  -0.00550   2.10155
   R40        2.09214   0.00068  -0.00027   0.00363   0.00336   2.09550
   R41        2.65260   0.00079  -0.00043   0.00537   0.00495   2.65755
   R42        2.65150   0.00095  -0.00083   0.00184   0.00102   2.65252
   R43        2.63862   0.00071  -0.00090   0.00209   0.00120   2.63982
   R44        2.06003   0.00005   0.00004   0.00103   0.00107   2.06110
   R45        2.63994   0.00162  -0.00037   0.00919   0.00882   2.64876
   R46        2.06030  -0.00014  -0.00026  -0.00130  -0.00156   2.05875
   R47        2.64154   0.00037  -0.00038  -0.00026  -0.00065   2.64089
   R48        2.05607  -0.00004  -0.00055   0.00014  -0.00041   2.05566
   R49        2.64226  -0.00037   0.00134  -0.00490  -0.00356   2.63870
   R50        2.05877  -0.00030   0.00058  -0.00357  -0.00299   2.05578
   R51        2.05385   0.00007   0.00092  -0.00126  -0.00034   2.05351
   R52        2.89242   0.00170   0.00026   0.00251   0.00277   2.89519
   R53        2.09130   0.00053   0.00050   0.00432   0.00482   2.09612
   R54        2.09998   0.00006  -0.00115   0.00335   0.00219   2.10217
   R55        2.72052   0.00255  -0.00065  -0.00421  -0.00486   2.71567
   R56        2.94578   0.00079  -0.00077   0.01917   0.01840   2.96418
   R57        2.09807   0.00221   0.00090   0.01365   0.01455   2.11262
   R58        1.84920   0.00083   0.00007   0.00471   0.00478   1.85398
   R59        2.91811  -0.00020  -0.00109  -0.00708  -0.00817   2.90994
   R60        2.81601   0.00001  -0.00117  -0.00106  -0.00223   2.81377
   R61        2.12052   0.00028  -0.00034   0.00558   0.00524   2.12576
   R62        2.83997   0.00052   0.00120  -0.00132  -0.00013   2.83984
   R63        2.10084   0.00093   0.00181   0.00622   0.00804   2.10888
   R64        2.10264  -0.00043  -0.00128  -0.00391  -0.00519   2.09745
   R65        2.65143   0.00091  -0.00093  -0.00070  -0.00162   2.64981
   R66        2.64713   0.00182   0.00062   0.01041   0.01103   2.65815
   R67        2.64210  -0.00056   0.00163  -0.00473  -0.00310   2.63900
   R68        2.05344   0.00108   0.00068   0.00596   0.00664   2.06008
   R69        2.64070   0.00105  -0.00077   0.00212   0.00134   2.64204
   R70        2.06004  -0.00038   0.00016  -0.00368  -0.00352   2.05652
   R71        2.64026   0.00123   0.00009   0.00815   0.00823   2.64849
   R72        2.05681  -0.00018  -0.00081   0.00006  -0.00075   2.05606
   R73        2.64350  -0.00040  -0.00094  -0.00559  -0.00653   2.63697
   R74        2.05689   0.00029   0.00008   0.00137   0.00145   2.05834
   R75        2.05283   0.00051  -0.00024   0.00410   0.00387   2.05670
   R76        2.61025  -0.00123   0.00379  -0.01348  -0.00969   2.60056
   R77        1.91667   0.00194  -0.00065   0.01219   0.01154   1.92821
   R78        2.28544   0.00555  -0.00014   0.01388   0.01374   2.29918
   R79        2.66207  -0.00411   0.00002  -0.02691  -0.02690   2.63517
   R80        2.76722  -0.00195  -0.00255  -0.02464  -0.02719   2.74003
   R81        2.79193   0.00143   0.00060   0.00453   0.00513   2.79706
   R82        2.11655  -0.00374   0.00038  -0.02203  -0.02164   2.09490
   R83        2.09008   0.00171   0.00210   0.01111   0.01321   2.10329
   R84        2.57595   0.00313  -0.00135   0.02846   0.02713   2.60308
   R85        3.30327  -0.00095  -0.00444  -0.01321  -0.01763   3.28564
   R86        2.68459  -0.00439  -0.00268  -0.02703  -0.02971   2.65488
   R87        2.04812   0.00096  -0.00148   0.00906   0.00758   2.05570
   R88        2.46522   0.00282   0.00152   0.01877   0.02027   2.48549
   R89        3.36218   0.00049  -0.00579  -0.00673  -0.01253   3.34965
   R90        2.05362  -0.00170  -0.00053  -0.00904  -0.00957   2.04405
   R91        2.89160   0.00158   0.00202   0.00939   0.01141   2.90301
   R92        2.89121   0.00293   0.00055   0.00303   0.00358   2.89479
   R93        2.12074   0.00040  -0.00083   0.00621   0.00538   2.12612
   R94        2.07728   0.00006  -0.00100  -0.00152  -0.00252   2.07476
   R95        2.07153   0.00077   0.00019   0.00224   0.00243   2.07396
   R96        2.06930   0.00042  -0.00051   0.00258   0.00207   2.07136
   R97        2.07006   0.00043  -0.00083   0.00499   0.00417   2.07423
   R98        2.07825   0.00116   0.00299  -0.00659  -0.00360   2.07465
   R99        2.06533   0.00155   0.00024   0.00728   0.00752   2.07285
   R100       3.28858  -0.00103  -0.00376  -0.01316  -0.01692   3.27167
   R101       2.04193  -0.00157  -0.00203  -0.00799  -0.01003   2.03190
    A1        1.93476  -0.00031  -0.00026  -0.00449  -0.00481   1.92996
    A2        1.95153  -0.00031   0.00026  -0.00650  -0.00630   1.94524
    A3        1.97392  -0.00034   0.00078  -0.00327  -0.00247   1.97144
    A4        1.88130  -0.00013  -0.00339  -0.01257  -0.01609   1.86521
    A5        1.84438   0.00067   0.00125   0.01693   0.01818   1.86256
    A6        1.87215   0.00050   0.00122   0.01097   0.01220   1.88435
    A7        1.94567   0.00024  -0.00268   0.00443   0.00154   1.94721
    A8        1.96261  -0.00041   0.00173  -0.01122  -0.00952   1.95309
    A9        1.85819   0.00122   0.00189   0.03888   0.04080   1.89899
   A10        1.92036  -0.00033  -0.00039  -0.01474  -0.01526   1.90510
   A11        1.89575  -0.00045  -0.00031  -0.00647  -0.00713   1.88861
   A12        1.87785  -0.00025  -0.00014  -0.00957  -0.00979   1.86806
   A13        1.95350  -0.00013  -0.00084   0.00211   0.00124   1.95474
   A14        1.95237  -0.00038   0.00049  -0.01013  -0.00972   1.94265
   A15        1.93857  -0.00009  -0.00076  -0.00137  -0.00226   1.93631
   A16        1.87082   0.00024   0.00047   0.00315   0.00363   1.87445
   A17        1.86047   0.00072   0.00421   0.02404   0.02818   1.88865
   A18        1.88365  -0.00029  -0.00348  -0.01679  -0.02044   1.86322
   A19        2.20247   0.00012  -0.00420  -0.01075  -0.01496   2.18750
   A20        2.12400   0.00000   0.00440   0.00913   0.01353   2.13752
   A21        1.95646  -0.00011  -0.00017   0.00182   0.00161   1.95807
   A22        1.96425  -0.00086  -0.00049  -0.00863  -0.00913   1.95512
   A23        2.04190   0.00001   0.00442   0.00826   0.01266   2.05456
   A24        2.00740   0.00091  -0.00039   0.00920   0.00883   2.01623
   A25        2.23388  -0.00092  -0.00403  -0.01744  -0.02149   2.21239
   A26        1.95077   0.00104  -0.00169  -0.00442  -0.00612   1.94465
   A27        1.93288  -0.00087   0.00123  -0.01706  -0.01580   1.91708
   A28        1.92362  -0.00059  -0.00016  -0.01018  -0.01035   1.91327
   A29        1.92043   0.00017  -0.00073   0.01358   0.01277   1.93319
   A30        1.90146  -0.00033  -0.00102   0.00437   0.00325   1.90472
   A31        1.83075   0.00054   0.00257   0.01520   0.01764   1.84839
   A32        2.04299   0.00001   0.00075   0.00446   0.00524   2.04823
   A33        2.18078  -0.00117   0.00172  -0.01087  -0.00916   2.17162
   A34        2.04579   0.00100   0.00026   0.00834   0.00863   2.05442
   A35        1.92886  -0.00012   0.00099  -0.00306  -0.00212   1.92674
   A36        1.91709  -0.00056   0.00040  -0.00359  -0.00325   1.91384
   A37        1.94022   0.00022  -0.00168   0.00019  -0.00154   1.93869
   A38        1.91012  -0.00040  -0.00168  -0.01453  -0.01627   1.89384
   A39        1.90345  -0.00033  -0.00137  -0.00919  -0.01059   1.89286
   A40        1.86278   0.00123   0.00338   0.03089   0.03421   1.89700
   A41        2.12172  -0.00131   0.00052  -0.01043  -0.00996   2.11176
   A42        2.04911   0.00184  -0.00069   0.01392   0.01318   2.06229
   A43        2.11205  -0.00053   0.00021  -0.00310  -0.00294   2.10911
   A44        2.05855  -0.00023   0.00331   0.00150   0.00431   2.06286
   A45        2.11583   0.00041   0.00552   0.01362   0.01868   2.13451
   A46        2.01561  -0.00080   0.00644   0.00488   0.01075   2.02636
   A47        1.87222   0.00349   0.00439  -0.01086  -0.00606   1.86616
   A48        1.92935  -0.00348  -0.00190  -0.03039  -0.03215   1.89720
   A49        1.88796  -0.00073  -0.00303  -0.01775  -0.02074   1.86721
   A50        1.97121  -0.00116   0.00010   0.03307   0.03281   2.00401
   A51        1.91003  -0.00091  -0.00542   0.01442   0.00832   1.91834
   A52        1.89147   0.00275   0.00556   0.00956   0.01425   1.90572
   A53        2.13704  -0.00112   0.00416  -0.01747  -0.02011   2.11693
   A54        2.02693   0.00034  -0.00491   0.04393   0.03225   2.05918
   A55        2.11781   0.00092   0.00118  -0.01620  -0.02183   2.09598
   A56        2.10616   0.00158   0.00029   0.00917   0.00920   2.11535
   A57        2.14337  -0.00155   0.00204  -0.02145  -0.01968   2.12369
   A58        2.03171  -0.00008  -0.00224   0.01467   0.01217   2.04388
   A59        1.89423   0.00350   0.00623  -0.00445   0.00140   1.89563
   A60        1.94484  -0.00234  -0.00383   0.05304   0.04916   1.99401
   A61        1.89295  -0.00113  -0.00331  -0.01036  -0.01394   1.87901
   A62        1.93498  -0.00058  -0.00008  -0.00708  -0.00768   1.92730
   A63        1.90000  -0.00143  -0.00244  -0.02750  -0.03013   1.86988
   A64        1.89592   0.00194   0.00332  -0.00549  -0.00240   1.89352
   A65        2.00126  -0.00143  -0.00037  -0.01782  -0.01829   1.98297
   A66        1.87903   0.00100  -0.00108   0.01331   0.01225   1.89129
   A67        1.90797   0.00005   0.00035  -0.00244  -0.00231   1.90565
   A68        1.91717   0.00025  -0.00012   0.00380   0.00377   1.92094
   A69        1.93104   0.00024  -0.00038  -0.00655  -0.00710   1.92394
   A70        1.81773   0.00005   0.00178   0.01326   0.01502   1.83275
   A71        2.09442   0.00042  -0.00064   0.00184   0.00116   2.09558
   A72        2.09939   0.00030   0.00042   0.00564   0.00604   2.10543
   A73        2.08929  -0.00072   0.00024  -0.00734  -0.00711   2.08218
   A74        2.09359   0.00043   0.00020   0.00473   0.00493   2.09853
   A75        2.09607  -0.00012  -0.00066  -0.00162  -0.00228   2.09379
   A76        2.09350  -0.00031   0.00046  -0.00311  -0.00265   2.09085
   A77        2.10085  -0.00042   0.00013  -0.00392  -0.00379   2.09706
   A78        2.09010   0.00008   0.00041   0.00065   0.00106   2.09116
   A79        2.09223   0.00034  -0.00054   0.00327   0.00273   2.09497
   A80        2.08984  -0.00003  -0.00001  -0.00014  -0.00015   2.08968
   A81        2.09897  -0.00022  -0.00055  -0.00391  -0.00446   2.09451
   A82        2.09436   0.00025   0.00055   0.00406   0.00462   2.09898
   A83        2.09962   0.00001  -0.00017  -0.00012  -0.00029   2.09933
   A84        2.09676  -0.00045   0.00002  -0.00505  -0.00503   2.09173
   A85        2.08680   0.00043   0.00015   0.00518   0.00533   2.09213
   A86        2.09312   0.00072  -0.00039   0.00684   0.00646   2.09958
   A87        2.09441   0.00014  -0.00026   0.00533   0.00507   2.09948
   A88        2.09559  -0.00085   0.00064  -0.01214  -0.01151   2.08408
   A89        1.96001   0.00004   0.00422   0.02655   0.03069   1.99070
   A90        1.92768   0.00066  -0.00092   0.00020  -0.00076   1.92692
   A91        1.87439   0.00043  -0.00102   0.00696   0.00609   1.88048
   A92        1.92996  -0.00181  -0.00534  -0.00168  -0.00727   1.92269
   A93        1.90121   0.00125   0.00528  -0.01914  -0.01410   1.88712
   A94        1.86718  -0.00050  -0.00233  -0.01510  -0.01759   1.84959
   A95        1.85138  -0.00045  -0.00037   0.02904   0.02864   1.88002
   A96        1.96690  -0.00015   0.00041  -0.01067  -0.01044   1.95645
   A97        1.94441   0.00072   0.00165  -0.00085   0.00038   1.94479
   A98        1.82489   0.00048  -0.00176   0.00504   0.00337   1.82825
   A99        1.92071   0.00035   0.00321   0.00027   0.00336   1.92406
   A100       1.94886  -0.00093  -0.00307  -0.01950  -0.02269   1.92617
   A101       1.92798   0.00033   0.00130  -0.00414  -0.00285   1.92514
   A102       1.94885  -0.00003   0.00005   0.00407   0.00407   1.95293
   A103       1.89694  -0.00028   0.00008   0.00389   0.00390   1.90084
   A104       1.91181  -0.00081  -0.00273  -0.02863  -0.03133   1.88048
   A105       1.93259   0.00067   0.00163   0.00775   0.00930   1.94189
   A106       1.91528   0.00037   0.00141   0.01044   0.01179   1.92707
   A107       1.85594   0.00005  -0.00054   0.00184   0.00116   1.85710
   A108       1.95049  -0.00001   0.00162  -0.00188  -0.00032   1.95017
   A109       1.91603   0.00007  -0.00131  -0.00104  -0.00243   1.91360
   A110       1.90165   0.00047   0.00050   0.01594   0.01640   1.91805
   A111       1.94382  -0.00046  -0.00098  -0.01540  -0.01642   1.92740
   A112       1.91668   0.00001  -0.00020   0.00242   0.00216   1.91884
   A113       1.83108  -0.00006   0.00029   0.00086   0.00114   1.83222
   A114       2.09133   0.00111   0.00047   0.01278   0.01325   2.10458
   A115       2.09673  -0.00001  -0.00065  -0.00195  -0.00260   2.09414
   A116       2.09512  -0.00110   0.00018  -0.01083  -0.01065   2.08447
   A117       2.08904   0.00096  -0.00048   0.01085   0.01039   2.09943
   A118       2.09724  -0.00033   0.00005  -0.00194  -0.00190   2.09534
   A119       2.09690  -0.00063   0.00043  -0.00891  -0.00850   2.08841
   A120       2.10114  -0.00030   0.00001  -0.00380  -0.00379   2.09735
   A121       2.08584   0.00053  -0.00002   0.00574   0.00572   2.09156
   A122       2.09620  -0.00023   0.00001  -0.00194  -0.00193   2.09427
   A123       2.09047   0.00009   0.00017   0.00007   0.00022   2.09069
   A124       2.09879  -0.00035   0.00065  -0.00332  -0.00267   2.09613
   A125       2.09393   0.00027  -0.00082   0.00325   0.00244   2.09637
   A126       2.09967  -0.00022  -0.00005  -0.00189  -0.00196   2.09771
   A127       2.09227   0.00025  -0.00091   0.00141   0.00050   2.09278
   A128       2.09124  -0.00003   0.00097   0.00048   0.00145   2.09270
   A129       2.09093   0.00057   0.00018   0.00561   0.00578   2.09671
   A130       2.10885  -0.00118  -0.00070  -0.01770  -0.01840   2.09045
   A131       2.08341   0.00060   0.00052   0.01209   0.01261   2.09602
   A132       2.12168   0.00056   0.00016   0.00600   0.00597   2.12766
   A133       2.05743   0.00004  -0.00149   0.00530   0.00362   2.06105
   A134       2.09640  -0.00060   0.00259  -0.00796  -0.00556   2.09084
   A135       2.26612  -0.00159  -0.00051  -0.02018  -0.02110   2.24501
   A136       1.87092   0.00216  -0.00359   0.02452   0.02052   1.89144
   A137       2.14613  -0.00056   0.00410  -0.00406  -0.00038   2.14575
   A138       2.00471   0.00278   0.00417   0.02532   0.02950   2.03421
   A139       1.89449   0.00230   0.00992   0.03012   0.04002   1.93450
   A140       1.74480   0.00097  -0.00327   0.03532   0.03187   1.77668
   A141       1.89731   0.00008  -0.00155   0.00905   0.00791   1.90522
   A142       1.96738  -0.00074  -0.00116  -0.01115  -0.01352   1.95386
   A143       1.99345  -0.00189  -0.00027  -0.03247  -0.03329   1.96015
   A144       1.94790  -0.00016  -0.00359  -0.01855  -0.02317   1.92473
   A145       2.26959  -0.00014  -0.00259  -0.00760  -0.01021   2.25937
   A146       2.09745   0.00060   0.00239   0.01729   0.01966   2.11711
   A147       1.91610  -0.00046   0.00018  -0.00964  -0.00942   1.90668
   A148       2.00753   0.00128  -0.00039   0.01167   0.01129   2.01882
   A149       2.22733  -0.00145  -0.00447  -0.02357  -0.02805   2.19928
   A150       2.04833   0.00017   0.00486   0.01190   0.01676   2.06508
   A151       1.96236  -0.00094  -0.00044  -0.01059  -0.01106   1.95129
   A152       1.96716   0.00046  -0.00046   0.00468   0.00420   1.97136
   A153       2.20952  -0.00088  -0.00356  -0.02248  -0.02603   2.18350
   A154       2.10650   0.00041   0.00402   0.01780   0.02183   2.12833
   A155       1.57162  -0.00035   0.00111   0.00389   0.00501   1.57662
   A156       1.95690   0.00111  -0.00097   0.01447   0.01304   1.96994
   A157       1.90311   0.00310   0.00660   0.03894   0.04540   1.94851
   A158       1.85710  -0.00114  -0.00097  -0.01171  -0.01233   1.84477
   A159       1.96118  -0.00327  -0.00322  -0.00320  -0.00751   1.95367
   A160       1.90529  -0.00056  -0.00451  -0.02265  -0.02733   1.87796
   A161       1.87562   0.00084   0.00324  -0.01808  -0.01496   1.86066
   A162       1.97666  -0.00003  -0.00079  -0.00555  -0.00634   1.97032
   A163       1.96131  -0.00085  -0.00209  -0.00667  -0.00883   1.95248
   A164       1.95227  -0.00037  -0.00062  -0.00883  -0.00954   1.94273
   A165       1.84270   0.00131   0.00329   0.02339   0.02670   1.86940
   A166       1.86076  -0.00009   0.00136   0.00623   0.00757   1.86832
   A167       1.86167   0.00015  -0.00083  -0.00652  -0.00751   1.85416
   A168       1.93359  -0.00005   0.00045  -0.00526  -0.00477   1.92882
   A169       1.96084  -0.00128  -0.00514   0.01346   0.00819   1.96902
   A170       1.95339   0.00154   0.00188   0.01160   0.01336   1.96674
   A171       1.86545  -0.00007   0.00087  -0.00674  -0.00584   1.85961
   A172       1.87752  -0.00104  -0.00223  -0.02018  -0.02238   1.85514
   A173       1.86839   0.00085   0.00431   0.00527   0.00933   1.87773
   A174       1.91614   0.00040   0.00020  -0.00495  -0.00472   1.91142
   A175       2.25217  -0.00059  -0.00368  -0.01096  -0.01466   2.23751
   A176       2.11464   0.00019   0.00350   0.01597   0.01946   2.13410
   A177       1.58052  -0.00034   0.00085   0.00256   0.00341   1.58393
    D1        0.87143   0.00094  -0.00616   0.01826   0.01216   0.88360
    D2        3.03758   0.00038  -0.00743  -0.00627  -0.01372   3.02386
    D3       -1.19326   0.00061  -0.00545   0.00008  -0.00551  -1.19878
    D4        2.97121   0.00036  -0.01046  -0.00518  -0.01551   2.95570
    D5       -1.14582  -0.00021  -0.01173  -0.02971  -0.04139  -1.18722
    D6        0.90651   0.00003  -0.00975  -0.02336  -0.03318   0.87333
    D7       -1.19635   0.00053  -0.00810   0.00197  -0.00603  -1.20238
    D8        0.96980  -0.00004  -0.00936  -0.02256  -0.03192   0.93788
    D9        3.02214   0.00020  -0.00739  -0.01621  -0.02371   2.99843
   D10        0.83302  -0.00015  -0.00674  -0.02276  -0.02944   0.80358
   D11        2.93297  -0.00021  -0.00637  -0.02434  -0.03071   2.90226
   D12       -1.24424  -0.00091  -0.01099  -0.05368  -0.06460  -1.30884
   D13       -1.35677   0.00046  -0.00674  -0.00047  -0.00716  -1.36393
   D14        0.74318   0.00040  -0.00638  -0.00205  -0.00843   0.73474
   D15        2.84915  -0.00030  -0.01100  -0.03139  -0.04232   2.80683
   D16        2.87505   0.00120  -0.00617   0.02328   0.01705   2.89210
   D17       -1.30819   0.00115  -0.00580   0.02170   0.01577  -1.29241
   D18        0.79779   0.00045  -0.01043  -0.00764  -0.01811   0.77967
   D19        2.64912   0.00017   0.00660   0.01600   0.02255   2.67167
   D20       -0.51908   0.00030   0.00804   0.02607   0.03404  -0.48504
   D21       -1.45396  -0.00007   0.00406   0.00239   0.00649  -1.44747
   D22        1.66102   0.00005   0.00550   0.01246   0.01799   1.67900
   D23        0.60848  -0.00094   0.00339  -0.01914  -0.01571   0.59277
   D24       -2.55973  -0.00081   0.00483  -0.00906  -0.00421  -2.56394
   D25        3.11529   0.00017   0.00115   0.01054   0.01162   3.12692
   D26       -0.00186   0.00006  -0.00023   0.00117   0.00096  -0.00090
   D27       -3.11814  -0.00015  -0.00133  -0.00972  -0.01115  -3.12929
   D28        0.00027  -0.00004  -0.00014  -0.00115  -0.00129  -0.00102
   D29        3.14014   0.00001   0.00155   0.00489   0.00653  -3.13651
   D30        0.00312  -0.00006   0.00061  -0.00060  -0.00001   0.00311
   D31        1.88450   0.00009  -0.00911  -0.01465  -0.02376   1.86074
   D32       -2.25064   0.00042  -0.01036  -0.01261  -0.02294  -2.27358
   D33       -0.23271   0.00022  -0.00658  -0.01018  -0.01677  -0.24948
   D34       -1.26234   0.00017  -0.00803  -0.00825  -0.01628  -1.27863
   D35        0.88570   0.00050  -0.00928  -0.00620  -0.01546   0.87024
   D36        2.90363   0.00030  -0.00550  -0.00378  -0.00929   2.89434
   D37       -0.00281   0.00002  -0.00070  -0.00031  -0.00098  -0.00379
   D38       -3.12122   0.00002  -0.00174  -0.00341  -0.00513  -3.12635
   D39       -3.13924  -0.00005  -0.00177  -0.00660  -0.00832   3.13562
   D40        0.02554  -0.00005  -0.00281  -0.00970  -0.01248   0.01306
   D41       -1.41270   0.00053  -0.00859  -0.00265  -0.01118  -1.42388
   D42        1.54673  -0.00041   0.01312   0.01114   0.02416   1.57089
   D43        2.71539   0.00080  -0.00848   0.01260   0.00429   2.71967
   D44       -0.60836  -0.00015   0.01324   0.02639   0.03962  -0.56874
   D45        0.71728   0.00025  -0.01058  -0.01539  -0.02595   0.69134
   D46       -2.60647  -0.00070   0.01113  -0.00159   0.00939  -2.59708
   D47       -0.61397  -0.00095   0.01579   0.00762   0.02355  -0.59042
   D48       -2.72325  -0.00001   0.01699   0.03005   0.04716  -2.67610
   D49        1.50225  -0.00131   0.01360  -0.00597   0.00775   1.51000
   D50        2.69537   0.00014  -0.00430  -0.00305  -0.00747   2.68790
   D51        0.58609   0.00108  -0.00311   0.01937   0.01614   0.60223
   D52       -1.47159  -0.00021  -0.00650  -0.01664  -0.02327  -1.49487
   D53       -3.12428   0.00022   0.00177   0.01498   0.01682  -3.10746
   D54       -0.00858   0.00070   0.00363   0.03156   0.03522   0.02664
   D55       -0.16511  -0.00082   0.02354   0.02842   0.05194  -0.11317
   D56        2.95059  -0.00034   0.02540   0.04501   0.07035   3.02093
   D57        2.86385  -0.00074   0.02370   0.03562   0.05948   2.92332
   D58        0.19291   0.00092  -0.02006  -0.01297  -0.03322   0.15970
   D59       -0.30349  -0.00027   0.02555   0.05200   0.07774  -0.22575
   D60       -2.97442   0.00138  -0.01820   0.00341  -0.01495  -2.98937
   D61       -1.70296  -0.00026   0.00050   0.01751   0.01817  -1.68479
   D62        2.42415   0.00105  -0.00132   0.00265   0.00150   2.42565
   D63        0.35579   0.00016  -0.00513   0.01931   0.01405   0.36984
   D64        0.99462  -0.00151   0.04165   0.06576   0.10744   1.10205
   D65       -1.16146  -0.00020   0.03983   0.05090   0.09077  -1.07069
   D66        3.05336  -0.00109   0.03601   0.06757   0.10332  -3.12651
   D67       -0.43386   0.00089   0.00855   0.09228   0.10067  -0.33319
   D68        2.76428  -0.00213  -0.00394  -0.11164  -0.11538   2.64890
   D69        1.69631  -0.00179   0.00928   0.06747   0.07648   1.77278
   D70       -1.38875  -0.00481  -0.00320  -0.13645  -0.13957  -1.52831
   D71       -2.47819   0.00031   0.01261   0.11172   0.12422  -2.35397
   D72        0.71994  -0.00272   0.00012  -0.09220  -0.09182   0.62812
   D73        1.22998   0.00033  -0.03459  -0.08110  -0.11605   1.11393
   D74       -2.86999  -0.00082  -0.03455  -0.04621  -0.08052  -2.95050
   D75       -0.85185   0.00109  -0.02798  -0.05428  -0.08234  -0.93419
   D76       -0.86776  -0.00090  -0.03894  -0.06816  -0.10712  -0.97488
   D77        1.31546  -0.00204  -0.03890  -0.03328  -0.07159   1.24387
   D78       -2.94960  -0.00013  -0.03232  -0.04135  -0.07341  -3.02300
   D79       -2.98697  -0.00092  -0.03604  -0.11451  -0.15105  -3.13802
   D80       -0.80376  -0.00206  -0.03599  -0.07962  -0.11552  -0.91928
   D81        1.21437  -0.00015  -0.02942  -0.08769  -0.11734   1.09704
   D82       -3.04427  -0.00184  -0.03920   0.06359   0.02395  -3.02033
   D83        0.16662  -0.00083  -0.04060   0.02029  -0.02028   0.14634
   D84        0.15319  -0.00476  -0.05158  -0.13782  -0.18944  -0.03625
   D85       -2.91911  -0.00375  -0.05298  -0.18113  -0.23366   3.13041
   D86        2.08513  -0.00049  -0.01055  -0.04682  -0.05769   2.02744
   D87       -2.06257  -0.00035  -0.00893  -0.02447  -0.03332  -2.09589
   D88        0.02352  -0.00010  -0.00922  -0.00574  -0.01524   0.00828
   D89       -1.12148  -0.00150  -0.00908  -0.00757  -0.01664  -1.13812
   D90        1.01400  -0.00136  -0.00747   0.01478   0.00774   1.02174
   D91        3.10009  -0.00111  -0.00776   0.03351   0.02582   3.12591
   D92        0.97353   0.00022  -0.00663   0.02934   0.02253   0.99607
   D93       -1.16561   0.00011  -0.00543   0.02644   0.02092  -1.14469
   D94       -3.12992  -0.00049  -0.00713   0.00534  -0.00190  -3.13182
   D95       -1.16793   0.00117  -0.00597  -0.02936  -0.03519  -1.20312
   D96        2.97611   0.00105  -0.00477  -0.03226  -0.03680   2.93931
   D97        1.01181   0.00046  -0.00647  -0.05336  -0.05963   0.95218
   D98        3.03067   0.00004  -0.00847  -0.00096  -0.00954   3.02113
   D99        0.89153  -0.00007  -0.00727  -0.00386  -0.01115   0.88038
   D100      -1.07278  -0.00067  -0.00897  -0.02496  -0.03397  -1.10675
   D101       1.17928  -0.00317  -0.02873  -0.02395  -0.05271   1.12658
   D102      -0.98394  -0.00133  -0.02413  -0.04116  -0.06535  -1.04928
   D103      -3.01417  -0.00132  -0.02029  -0.02723  -0.04743  -3.06160
   D104      -2.99207  -0.00070  -0.02348   0.00163  -0.02180  -3.01387
   D105       1.12790   0.00114  -0.01888  -0.01559  -0.03444   1.09345
   D106      -0.90234   0.00114  -0.01505  -0.00165  -0.01652  -0.91886
   D107      -0.90504  -0.00159  -0.02443  -0.03990  -0.06446  -0.96950
   D108      -3.06826   0.00025  -0.01984  -0.05712  -0.07710   3.13782
   D109       1.18469   0.00025  -0.01600  -0.04319  -0.05918   1.12551
   D110      -1.57578  -0.00035  -0.00329  -0.01537  -0.01859  -1.59437
   D111       1.58041  -0.00051  -0.00479  -0.02674  -0.03150   1.54891
   D112       0.54262   0.00015  -0.00504  -0.00764  -0.01265   0.52997
   D113      -2.58438  -0.00002  -0.00654  -0.01901  -0.02556  -2.60994
   D114       2.53986   0.00049  -0.00317   0.00688   0.00367   2.54352
   D115      -0.58714   0.00032  -0.00467  -0.00448  -0.00925  -0.59639
   D116      -3.13783  -0.00007  -0.00127  -0.00648  -0.00772   3.13763
   D117      -0.00246  -0.00010  -0.00107  -0.00638  -0.00743  -0.00989
   D118      -0.01075   0.00010   0.00022   0.00493   0.00513  -0.00562
   D119       3.12463   0.00007   0.00042   0.00503   0.00542   3.13005
   D120       3.13853   0.00008   0.00115   0.00638   0.00754  -3.13711
   D121       0.00998  -0.00004   0.00166   0.00282   0.00446   0.01445
   D122       0.01150  -0.00009  -0.00034  -0.00503  -0.00535   0.00615
   D123      -3.11706  -0.00021   0.00017  -0.00859  -0.00842  -3.12548
   D124       0.00204  -0.00003   0.00005  -0.00138  -0.00133   0.00071
   D125       3.13943  -0.00002   0.00002  -0.00022  -0.00020   3.13922
   D126      -3.13334   0.00000  -0.00015  -0.00148  -0.00162  -3.13496
   D127       0.00404   0.00001  -0.00017  -0.00032  -0.00049   0.00355
   D128       0.00594  -0.00003  -0.00021  -0.00201  -0.00222   0.00372
   D129       3.14080   0.00003  -0.00065   0.00035  -0.00031   3.14049
   D130      -3.13144  -0.00004  -0.00019  -0.00316  -0.00335  -3.13479
   D131       0.00343   0.00002  -0.00063  -0.00080  -0.00144   0.00199
   D132      -0.00518   0.00004   0.00010   0.00188   0.00198  -0.00320
   D133       3.13132   0.00010  -0.00001   0.00457   0.00455   3.13587
   D134      -3.14006  -0.00003   0.00055  -0.00044   0.00010  -3.13996
   D135      -0.00357   0.00003   0.00043   0.00225   0.00267  -0.00089
   D136      -0.00355   0.00002   0.00018   0.00160   0.00179  -0.00176
   D137       3.12499   0.00015  -0.00033   0.00530   0.00496   3.12995
   D138      -3.14007  -0.00004   0.00029  -0.00104  -0.00075  -3.14083
   D139      -0.01153   0.00009  -0.00022   0.00265   0.00242  -0.00912
   D140      -1.26642  -0.00025   0.01807   0.01317   0.03111  -1.23531
   D141       3.03001  -0.00049   0.02017  -0.00449   0.01562   3.04563
   D142       0.82357   0.00029   0.02265   0.03092   0.05356   0.87713
   D143       0.89553  -0.00072   0.01592   0.03148   0.04728   0.94281
   D144      -1.09123  -0.00096   0.01803   0.01383   0.03179  -1.05944
   D145       2.98552  -0.00018   0.02050   0.04924   0.06972   3.05524
   D146       2.94272  -0.00163   0.01311   0.00069   0.01387   2.95660
   D147       0.95596  -0.00187   0.01522  -0.01697  -0.00162   0.95435
   D148      -1.25047  -0.00109   0.01769   0.01844   0.03632  -1.21415
   D149       2.31320  -0.00018   0.01127   0.01482   0.02605   2.33925
   D150      -1.88746  -0.00033   0.01074   0.01843   0.02925  -1.85821
   D151       0.20779  -0.00097   0.00773  -0.00158   0.00610   0.21389
   D152      -1.04708   0.00001   0.00753   0.04265   0.05006  -0.99702
   D153       3.09919  -0.00063   0.00539   0.02758   0.03287   3.13206
   D154       1.07822  -0.00009   0.00747   0.03888   0.04624   1.12446
   D155      -3.04991   0.00034   0.00879   0.01042   0.01921  -3.03070
   D156       1.09635  -0.00030   0.00665  -0.00465   0.00202   1.09837
   D157      -0.92462   0.00024   0.00873   0.00665   0.01539  -0.90923
   D158       1.15697   0.00012   0.00759   0.01716   0.02483   1.18180
   D159      -0.97995  -0.00052   0.00544   0.00209   0.00764  -0.97231
   D160      -3.00091   0.00002   0.00753   0.01339   0.02101  -2.97990
   D161       3.06667  -0.00017   0.00337   0.00179   0.00515   3.07182
   D162      -1.05074  -0.00071   0.00230  -0.02010  -0.01783  -1.06857
   D163       0.94548  -0.00049   0.00222  -0.01086  -0.00868   0.93679
   D164      -1.10015  -0.00007   0.00465   0.01491   0.01956  -1.08059
   D165       1.06563  -0.00062   0.00357  -0.00698  -0.00342   1.06221
   D166       3.06184  -0.00040   0.00349   0.00226   0.00573   3.06757
   D167       0.94338   0.00062   0.00583   0.02814   0.03402   0.97740
   D168       3.10916   0.00007   0.00475   0.00625   0.01104   3.12020
   D169      -1.17781   0.00030   0.00467   0.01549   0.02019  -1.15762
   D170       1.12023   0.00048  -0.00250   0.00866   0.00612   1.12634
   D171      -2.15405   0.00045   0.01016   0.03679   0.04703  -2.10702
   D172      -1.02651   0.00027  -0.00368  -0.00407  -0.00782  -1.03433
   D173       1.98239   0.00023   0.00898   0.02406   0.03309   2.01548
   D174      -3.10621  -0.00058  -0.00594  -0.02194  -0.02795  -3.13416
   D175      -0.09731  -0.00062   0.00671   0.00619   0.01296  -0.08434
   D176       1.71103  -0.00019  -0.00473  -0.01819  -0.02289   1.68814
   D177      -1.42950  -0.00018  -0.00531  -0.01879  -0.02406  -1.45356
   D178      -0.43908   0.00006  -0.00349  -0.00419  -0.00770  -0.44678
   D179       2.70358   0.00007  -0.00407  -0.00478  -0.00888   2.69470
   D180      -2.45967   0.00041  -0.00315   0.00235  -0.00080  -2.46047
   D181       0.68299   0.00042  -0.00373   0.00176  -0.00198   0.68101
   D182      -3.14047   0.00000  -0.00024  -0.00045  -0.00069  -3.14115
   D183       0.00205   0.00002   0.00040   0.00133   0.00174   0.00379
   D184       0.00006  -0.00001   0.00034   0.00015   0.00049   0.00055
   D185      -3.14061   0.00000   0.00098   0.00193   0.00291  -3.13770
   D186       3.14099   0.00000   0.00025   0.00042   0.00067  -3.14153
   D187      -0.00194  -0.00002   0.00036  -0.00008   0.00028  -0.00166
   D188       0.00047   0.00001  -0.00033  -0.00018  -0.00051  -0.00004
   D189       3.14073  -0.00001  -0.00021  -0.00069  -0.00090   3.13983
   D190      -0.00003   0.00000  -0.00013  -0.00011  -0.00024  -0.00028
   D191       3.14145   0.00002   0.00012   0.00082   0.00095  -3.14079
   D192       3.14064  -0.00001  -0.00077  -0.00189  -0.00266   3.13798
   D193      -0.00106   0.00000  -0.00052  -0.00095  -0.00147  -0.00253
   D194      -0.00052   0.00001  -0.00009   0.00011   0.00002  -0.00050
   D195      -3.14060   0.00000   0.00007   0.00014   0.00020  -3.14040
   D196       3.14118  -0.00001  -0.00035  -0.00083  -0.00117   3.14001
   D197       0.00110  -0.00001  -0.00019  -0.00080  -0.00099   0.00011
   D198       0.00105  -0.00001   0.00010  -0.00015  -0.00005   0.00100
   D199      -3.13942   0.00000   0.00013  -0.00001   0.00012  -3.13930
   D200       3.14114  -0.00001  -0.00005  -0.00018  -0.00023   3.14091
   D201       0.00066   0.00000  -0.00003  -0.00004  -0.00006   0.00060
   D202      -0.00103   0.00000   0.00011   0.00019   0.00029  -0.00073
   D203      -3.14130   0.00002   0.00000   0.00071   0.00071  -3.14060
   D204       3.13945   0.00000   0.00008   0.00005   0.00012   3.13958
   D205      -0.00083   0.00002  -0.00003   0.00057   0.00054  -0.00029
   D206      -0.10231  -0.00016   0.00430   0.01106   0.01541  -0.08690
   D207       3.03282   0.00121   0.00932   0.06003   0.06913   3.10195
   D208      -3.10830  -0.00018  -0.00840  -0.01871  -0.02689  -3.13519
   D209       0.02683   0.00120  -0.00339   0.03026   0.02682   0.05366
   D210       2.85327  -0.00080   0.02003   0.02780   0.04756   2.90083
   D211      -0.29423   0.00045   0.02464   0.07254   0.09745  -0.19678
   D212      -1.50176   0.00038   0.02093   0.06741   0.08871  -1.41305
   D213       2.71834  -0.00012   0.02004   0.05170   0.07115   2.78949
   D214       0.67601  -0.00042   0.02610   0.05252   0.07883   0.75484
   D215      -0.17369  -0.00056   0.01019   0.00800   0.01804  -0.15565
   D216       2.97989  -0.00077   0.01172   0.00287   0.01442   2.99431
   D217       1.74240   0.00152   0.01131   0.06166   0.07253   1.81493
   D218      -1.38721   0.00131   0.01284   0.05652   0.06891  -1.31830
   D219      -2.29349  -0.00109   0.00498  -0.00398   0.00161  -2.29188
   D220       0.86008  -0.00130   0.00651  -0.00911  -0.00201   0.85808
   D221      -3.13140  -0.00029   0.00261  -0.00589  -0.00324  -3.13464
   D222       0.00695  -0.00023   0.00197  -0.00548  -0.00349   0.00347
   D223      -0.00081  -0.00009   0.00122  -0.00102   0.00020  -0.00061
   D224       3.13754  -0.00004   0.00058  -0.00062  -0.00005   3.13749
   D225       3.13003   0.00023  -0.00191   0.00515   0.00328   3.13331
   D226      -0.00182   0.00006  -0.00063   0.00100   0.00038  -0.00144
   D227       0.00419   0.00008  -0.00135   0.00036  -0.00097   0.00322
   D228      -3.13451   0.00003  -0.00075   0.00007  -0.00066  -3.13517
   D229      -0.00549  -0.00003   0.00080   0.00044   0.00124  -0.00425
   D230       3.13899  -0.00004   0.00074   0.00033   0.00106   3.14006
   D231       0.00431  -0.00001  -0.00011  -0.00083  -0.00094   0.00337
   D232      -3.13998  -0.00001  -0.00006  -0.00080  -0.00086  -3.14084
   D233       0.14631   0.00069  -0.00230   0.00358   0.00119   0.14750
   D234       2.23265   0.00176  -0.00011   0.02523   0.02497   2.25762
   D235      -1.95697   0.00110  -0.00305   0.00592   0.00280  -1.95417
   D236      -2.00456  -0.00177  -0.00783  -0.05634  -0.06396  -2.06852
   D237       0.08178  -0.00070  -0.00563  -0.03469  -0.04018   0.04161
   D238       2.17535  -0.00136  -0.00858  -0.05400  -0.06235   2.11300
   D239       2.19963  -0.00040  -0.00692  -0.01668  -0.02368   2.17596
   D240      -1.99721   0.00067  -0.00472   0.00497   0.00011  -1.99710
   D241       0.09636   0.00001  -0.00767  -0.01433  -0.02206   0.07430
   D242       2.83301   0.00018  -0.01052  -0.04154  -0.05215   2.78085
   D243      -1.36511  -0.00080  -0.01251  -0.04474  -0.05741  -1.42252
   D244       0.73759   0.00050  -0.00926  -0.02010  -0.02938   0.70822
   D245      -1.26946   0.00160  -0.00918   0.00384  -0.00534  -1.27481
   D246       0.81561   0.00062  -0.01117   0.00064  -0.01060   0.80501
   D247       2.91831   0.00192  -0.00792   0.02528   0.01743   2.93574
   D248       0.82681  -0.00050  -0.01457  -0.03803  -0.05251   0.77430
   D249       2.91188  -0.00148  -0.01656  -0.04123  -0.05777   2.85412
   D250      -1.26860  -0.00018  -0.01331  -0.01659  -0.02973  -1.29833
   D251       0.00145   0.00000   0.00047   0.00075   0.00120   0.00265
   D252       3.12199  -0.00001   0.00132   0.00318   0.00456   3.12655
         Item               Value     Threshold  Converged?
 Maximum Force            0.009308     0.000450     NO 
 RMS     Force            0.001193     0.000300     NO 
 Maximum Displacement     1.418937     0.001800     NO 
 RMS     Displacement     0.380431     0.001200     NO 
 Predicted change in Energy=-3.024107D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0      -10.141754   -2.586241    0.418915
      2          6           0       -9.700927   -1.414585   -0.463433
      3          6           0      -10.529449   -0.150158   -0.179721
      4          6           0       -8.247628   -1.099264   -0.288244
      5          7           0       -7.472306   -0.539417   -1.199086
      6          6           0       -6.154492   -0.353225   -0.730044
      7          6           0       -5.160430    0.284378   -1.666762
      8          7           0       -4.857180    1.675325   -1.267137
      9          6           0       -5.816625    2.727634   -1.680643
     10          6           0       -3.824577    2.041794   -0.388624
     11          8           0       -3.650633    3.216056   -0.071402
     12          7           0       -2.995488    1.021137    0.128739
     13          6           0       -1.747263    1.416914    0.819812
     14          6           0       -0.603511    1.316923   -0.221927
     15          8           0       -0.730388    0.653424   -1.245385
     16          7           0        0.497004    2.150916   -0.064123
     17          6           0        1.559077    2.225538   -1.097106
     18          6           0        1.579112    3.659194   -1.682799
     19          6           0        1.787503    4.729043   -0.648592
     20          6           0        0.680253    5.332266   -0.025824
     21          6           0        0.870030    6.323929    0.939583
     22          6           0        2.166166    6.724087    1.292512
     23          6           0        3.268150    6.130074    0.671393
     24          6           0        3.082430    5.138953   -0.294502
     25          6           0        2.965780    1.829398   -0.591463
     26          6           0        3.083837    0.364967   -0.157018
     27          8           0        2.344476    0.210526    1.065545
     28          6           0        4.557291   -0.023009    0.215590
     29          6           0        5.531191    0.235900   -0.948754
     30          6           0        6.954424   -0.045572   -0.556929
     31          6           0        7.546757   -1.280113   -0.859041
     32          6           0        8.869647   -1.535317   -0.491561
     33          6           0        9.612822   -0.560202    0.180411
     34          6           0        9.026197    0.675877    0.484132
     35          6           0        7.704369    0.933937    0.118914
     36          7           0        4.588273   -1.450424    0.638201
     37          6           0        4.283851   -2.473052   -0.230915
     38          8           0        3.882887   -2.401455   -1.377385
     39          8           0        4.451600   -3.684221    0.439521
     40          6           0        3.890455   -4.860230   -0.196486
     41          6           0        2.438066   -4.960794    0.070481
     42          6           0        1.652885   -4.223797    0.929436
     43          7           0        0.292430   -4.572927    0.961355
     44          6           0        0.024101   -5.567663    0.143786
     45         16           0        1.450960   -6.142780   -0.736711
     46          6           0       -1.565757    0.514993    2.080825
     47          6           0       -1.376228   -0.968856    1.731252
     48          6           0       -0.449526    1.035452    2.991727
     49          6           0       -5.917729   -0.779146    0.553708
     50         16           0       -7.373890   -1.433206    1.223910
     51          1           0      -11.229925   -2.722027    0.364806
     52          1           0       -9.686362   -3.529490    0.090745
     53          1           0       -9.894220   -2.441382    1.477245
     54          1           0       -9.849319   -1.697711   -1.544002
     55          1           0      -10.635475    0.038468    0.893733
     56          1           0      -10.063806    0.741544   -0.626113
     57          1           0      -11.531688   -0.233452   -0.613231
     58          1           0       -4.229347   -0.327997   -1.704518
     59          1           0       -5.571056    0.283056   -2.708572
     60          1           0       -6.256436    2.482586   -2.660892
     61          1           0       -5.291505    3.698209   -1.763930
     62          1           0       -6.634398    2.829823   -0.946554
     63          1           0       -3.033070    0.063248   -0.214662
     64          1           0       -1.877507    2.492915    1.147448
     65          1           0        0.621605    2.719886    0.771681
     66          1           0        1.269025    1.523985   -1.940279
     67          1           0        0.621593    3.830900   -2.221713
     68          1           0        2.363654    3.722827   -2.463875
     69          1           0       -0.330989    5.029713   -0.300512
     70          1           0        0.007301    6.788196    1.416066
     71          1           0        2.311187    7.497258    2.043850
     72          1           0        4.274828    6.442980    0.940002
     73          1           0        3.949054    4.694338   -0.776302
     74          1           0        3.283177    2.499670    0.233377
     75          1           0        3.685765    2.003236   -1.421451
     76          1           0        2.685592   -0.326671   -0.939866
     77          1           0        1.782595   -0.592668    1.024410
     78          1           0        4.853564    0.581605    1.116740
     79          1           0        5.238788   -0.386341   -1.827793
     80          1           0        5.434620    1.285797   -1.295625
     81          1           0        6.976049   -2.045170   -1.385730
     82          1           0        9.322299   -2.495729   -0.730377
     83          1           0       10.643760   -0.759841    0.465197
     84          1           0        9.604073    1.437748    1.005692
     85          1           0        7.250689    1.894710    0.354738
     86          1           0        4.922797   -1.666163    1.577717
     87          1           0        4.459244   -5.675979    0.293383
     88          1           0        4.118815   -4.830693   -1.285420
     89          1           0        1.993263   -3.414730    1.572027
     90          1           0       -0.953260   -6.008154   -0.000206
     91          1           0       -2.524628    0.607783    2.662021
     92          1           0       -1.250639   -1.141224    0.654249
     93          1           0       -0.498521   -1.397796    2.231382
     94          1           0       -2.235936   -1.567181    2.054336
     95          1           0       -0.568284    0.641366    4.009269
     96          1           0        0.550704    0.733796    2.654340
     97          1           0       -0.452909    2.128567    3.082757
     98          1           0       -5.001540   -0.725100    1.113892
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0655925      0.0256350      0.0195040
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3487.8009683630 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.232578995946     A.U. after   19 cycles
             Convg  =    0.7712D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000174268    0.001524947   -0.001911113
      2        6           0.000821466   -0.002595159    0.000473828
      3        6          -0.002047938    0.000760862   -0.000489200
      4        6          -0.003271575    0.000785462   -0.005013933
      5        7           0.005078901    0.001510627    0.005472736
      6        6          -0.003071480   -0.004308039    0.004896636
      7        6           0.003440577   -0.001934001    0.001504988
      8        7          -0.004641848    0.004130315   -0.002104442
      9        6           0.001314336    0.001018149    0.001556087
     10        6          -0.000064590    0.000150670   -0.001497435
     11        8          -0.000152595   -0.000817670   -0.000123210
     12        7           0.005036120   -0.002712037    0.006011107
     13        6          -0.002807189    0.000507759    0.002666886
     14        6           0.003442018   -0.000170064   -0.008031861
     15        8          -0.002246789    0.001183770    0.006494883
     16        7           0.001496805   -0.002178153    0.005369146
     17        6          -0.001007341    0.004300201   -0.000995395
     18        6          -0.001310699   -0.001763672   -0.001256093
     19        6           0.001262782   -0.002005365   -0.000313355
     20        6          -0.001016959   -0.000187157    0.000059502
     21        6          -0.002307458   -0.000486908    0.000011149
     22        6           0.002315682    0.001176212   -0.000060207
     23        6           0.001071348   -0.001410589    0.000124541
     24        6          -0.000285947    0.001595890   -0.000478113
     25        6           0.002551542   -0.000361932    0.001615817
     26        6          -0.001955208    0.002845754   -0.000976213
     27        8           0.001887876   -0.000997792    0.001231950
     28        6           0.002020384   -0.000882663   -0.000730239
     29        6          -0.001072373    0.001458899    0.000813111
     30        6          -0.001658187   -0.002635517    0.000147553
     31        6           0.001729356    0.001638036   -0.000668688
     32        6          -0.000945058   -0.001698619    0.000080106
     33        6           0.001026434   -0.001061333   -0.000682458
     34        6          -0.001641099    0.001113092    0.001000884
     35        6           0.001799044    0.001753514   -0.000226857
     36        7           0.001021157   -0.003833394    0.001830326
     37        6           0.004086017    0.005201787   -0.005855859
     38        8          -0.002183674   -0.000882034    0.001141916
     39        8          -0.001305867   -0.002092553    0.004440747
     40        6           0.001000545    0.005316478   -0.002075579
     41        6           0.007110917   -0.006291284    0.001245286
     42        6          -0.008587542    0.001355985   -0.001221824
     43        7          -0.000209878    0.005678008   -0.000010546
     44        6           0.001471233   -0.004402708    0.000083314
     45       16           0.000533392   -0.000231807   -0.000225633
     46        6           0.000173323    0.000752324   -0.001524221
     47        6          -0.000262513   -0.002638801   -0.001285491
     48        6          -0.000286383    0.000046240   -0.002138799
     49        6           0.000386460    0.002469429   -0.005847041
     50       16           0.000284590    0.000073715   -0.000319749
     51        1          -0.000092019   -0.000055157    0.000062306
     52        1          -0.000232760   -0.000953746    0.000244861
     53        1           0.000757520    0.000290670   -0.000160530
     54        1           0.000760307    0.000375363    0.000353154
     55        1           0.000059639   -0.000064370   -0.000012734
     56        1           0.000279375    0.000455348    0.000727985
     57        1           0.000488064   -0.000112879    0.001028839
     58        1          -0.000821556   -0.000264997   -0.000711004
     59        1          -0.000237120   -0.000466905   -0.000651341
     60        1          -0.000333615   -0.000254511    0.000207442
     61        1           0.000392742   -0.000684334    0.000365790
     62        1          -0.000125781   -0.000302974   -0.000332813
     63        1          -0.002218681    0.000322717   -0.003335392
     64        1          -0.002849761   -0.000558123    0.000915732
     65        1          -0.002379476    0.001655673    0.001523842
     66        1           0.000070828   -0.001083376    0.001805170
     67        1           0.000267596   -0.000015574   -0.000276902
     68        1           0.000409517    0.000414414   -0.000442290
     69        1           0.000066615    0.000065819   -0.000022647
     70        1          -0.000165097   -0.000004784   -0.000010370
     71        1          -0.000071507    0.000199711    0.000002934
     72        1          -0.000442290   -0.000274245   -0.000028121
     73        1          -0.000222053    0.000575107   -0.000113313
     74        1           0.001856514    0.000685258    0.001374119
     75        1           0.000537636   -0.001463239   -0.000437780
     76        1           0.000937999   -0.001378438    0.000236493
     77        1           0.000036293   -0.000745174   -0.001269306
     78        1          -0.000835446    0.000567438   -0.000004476
     79        1           0.000334592   -0.000098042    0.000190185
     80        1           0.000538433    0.000095477   -0.000360421
     81        1           0.000218358   -0.000271522   -0.000133503
     82        1          -0.000266560    0.000256313    0.000173478
     83        1           0.000218900   -0.000102864   -0.000130200
     84        1          -0.000030284    0.000254127    0.000074121
     85        1          -0.000598431   -0.000113909    0.000253735
     86        1          -0.000520577   -0.000201321   -0.001319196
     87        1          -0.001535103   -0.001372289    0.001253320
     88        1           0.000172906   -0.000677429   -0.000279573
     89        1          -0.000022851    0.001010380    0.000273121
     90        1          -0.000032058    0.001184131    0.000059335
     91        1           0.000153431    0.000646494   -0.001188055
     92        1          -0.000995223   -0.000600643    0.000515934
     93        1           0.000158156    0.001147875   -0.000528819
     94        1          -0.000376881    0.000169440   -0.000487885
     95        1          -0.000340999    0.000655748    0.000136459
     96        1          -0.000636555    0.000507717   -0.002117156
     97        1           0.000003731    0.001296580    0.000007709
     98        1          -0.000184314   -0.000479830    0.000358819
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008587542 RMS     0.001965218

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.009992552 RMS     0.001655457
 Search for a local minimum.
 Step number   8 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    6    8    7
 DE=  2.83D-03 DEPred=-3.02D-03 R=-9.36D-01
 Trust test=-9.36D-01 RLast= 7.33D-01 DXMaxT set to 7.14D-01
 Use linear search instead of GDIIS.
 Quartic linear search produced a step of -0.65644.
 Iteration  1 RMS(Cart)=  0.24588515 RMS(Int)=  0.00331454
 Iteration  2 RMS(Cart)=  0.01207960 RMS(Int)=  0.00012343
 Iteration  3 RMS(Cart)=  0.00003033 RMS(Int)=  0.00012306
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00012306
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89421  -0.00134  -0.00125   0.00000  -0.00125   2.89296
    R2        2.07481  -0.00011   0.00056   0.00000   0.00056   2.07538
    R3        2.07422  -0.00043  -0.00195   0.00000  -0.00195   2.07228
    R4        2.07209  -0.00031   0.00188   0.00000   0.00188   2.07397
    R5        2.90657  -0.00198  -0.00924   0.00000  -0.00924   2.89733
    R6        2.82967   0.00035  -0.00428   0.00000  -0.00428   2.82539
    R7        2.12945   0.00001   0.00410   0.00000   0.00410   2.13355
    R8        2.06934   0.00006   0.00480   0.00000   0.00480   2.07413
    R9        2.07975  -0.00090  -0.00558   0.00000  -0.00558   2.07416
   R10        2.06953   0.00003   0.00245   0.00000   0.00245   2.07198
   R11        2.49572  -0.00569  -0.01611   0.00000  -0.01611   2.47961
   R12        3.36007  -0.00037   0.00569   0.00000   0.00570   3.36577
   R13        2.66666   0.00294   0.01842   0.00000   0.01842   2.68508
   R14        2.84850  -0.00024  -0.00717   0.00000  -0.00717   2.84133
   R15        2.59484  -0.00572  -0.01402   0.00000  -0.01402   2.58082
   R16        2.79424  -0.00283  -0.00741   0.00000  -0.00741   2.78683
   R17        2.10715   0.00045   0.00470   0.00000   0.00470   2.11185
   R18        2.11614   0.00011   0.00240   0.00000   0.00240   2.11854
   R19        2.80220  -0.00034   0.00062   0.00000   0.00062   2.80282
   R20        2.65394   0.00022   0.00033   0.00000   0.00033   2.65427
   R21        2.08245  -0.00037  -0.00437   0.00000  -0.00437   2.07808
   R22        2.09129   0.00016   0.00190   0.00000   0.00190   2.09319
   R23        2.08563  -0.00017   0.00136   0.00000   0.00136   2.08698
   R24        2.32196   0.00077  -0.00135   0.00000  -0.00135   2.32061
   R25        2.67033   0.00058   0.00353   0.00000   0.00353   2.67386
   R26        2.79800  -0.00078  -0.00540   0.00000  -0.00540   2.79260
   R27        1.92427  -0.00041  -0.00461   0.00000  -0.00461   1.91966
   R28        2.92962  -0.00755  -0.00586   0.00000  -0.00586   2.92376
   R29        2.94977  -0.00864  -0.02052   0.00000  -0.02052   2.92925
   R30        2.13972  -0.00093   0.00037   0.00000   0.00037   2.14009
   R31        2.31736  -0.00028  -0.00409   0.00000  -0.00409   2.31327
   R32        2.62637  -0.00438  -0.00543   0.00000  -0.00543   2.62094
   R33        2.80331  -0.00469   0.00325   0.00000   0.00325   2.80656
   R34        1.92513  -0.00158  -0.00881   0.00000  -0.00881   1.91632
   R35        2.92682   0.00340   0.00529   0.00000   0.00529   2.93211
   R36        2.92231  -0.00575  -0.00595   0.00000  -0.00595   2.91636
   R37        2.14402  -0.00137  -0.01519   0.00000  -0.01519   2.12883
   R38        2.83937   0.00073  -0.00144   0.00000  -0.00144   2.83792
   R39        2.10155   0.00033   0.00361   0.00000   0.00361   2.10516
   R40        2.09550  -0.00001  -0.00220   0.00000  -0.00220   2.09329
   R41        2.65755  -0.00143  -0.00325   0.00000  -0.00325   2.65430
   R42        2.65252  -0.00060  -0.00067   0.00000  -0.00067   2.65185
   R43        2.63982  -0.00079  -0.00079   0.00000  -0.00079   2.63903
   R44        2.06110   0.00009  -0.00070   0.00000  -0.00070   2.06040
   R45        2.64876  -0.00243  -0.00579   0.00000  -0.00579   2.64297
   R46        2.05875  -0.00015   0.00102   0.00000   0.00102   2.05977
   R47        2.64089   0.00005   0.00042   0.00000   0.00043   2.64132
   R48        2.05566  -0.00021   0.00027   0.00000   0.00027   2.05593
   R49        2.63870   0.00164   0.00234   0.00000   0.00234   2.64104
   R50        2.05578   0.00052   0.00196   0.00000   0.00196   2.05774
   R51        2.05351   0.00041   0.00022   0.00000   0.00022   2.05373
   R52        2.89519  -0.00206  -0.00182   0.00000  -0.00182   2.89337
   R53        2.09612  -0.00042  -0.00316   0.00000  -0.00316   2.09296
   R54        2.10217  -0.00036  -0.00144   0.00000  -0.00144   2.10073
   R55        2.71567   0.00175   0.00319   0.00000   0.00319   2.71885
   R56        2.96418  -0.00198  -0.01208   0.00000  -0.01208   2.95210
   R57        2.11262  -0.00133  -0.00955   0.00000  -0.00955   2.10307
   R58        1.85398  -0.00119  -0.00314   0.00000  -0.00314   1.85084
   R59        2.90994   0.00000   0.00536   0.00000   0.00536   2.91530
   R60        2.81377  -0.00083   0.00147   0.00000   0.00147   2.81524
   R61        2.12576  -0.00057  -0.00344   0.00000  -0.00344   2.12232
   R62        2.83984   0.00035   0.00008   0.00000   0.00008   2.83992
   R63        2.10888  -0.00015  -0.00528   0.00000  -0.00528   2.10361
   R64        2.09745   0.00037   0.00341   0.00000   0.00341   2.10086
   R65        2.64981  -0.00045   0.00106   0.00000   0.00106   2.65087
   R66        2.65815  -0.00161  -0.00724   0.00000  -0.00724   2.65092
   R67        2.63900   0.00151   0.00204   0.00000   0.00203   2.64103
   R68        2.06008  -0.00022  -0.00436   0.00000  -0.00436   2.05572
   R69        2.64204  -0.00039  -0.00088   0.00000  -0.00088   2.64116
   R70        2.05652   0.00041   0.00231   0.00000   0.00231   2.05883
   R71        2.64849  -0.00218  -0.00540   0.00000  -0.00540   2.64309
   R72        2.05606  -0.00021   0.00049   0.00000   0.00049   2.05655
   R73        2.63697   0.00050   0.00429   0.00000   0.00429   2.64126
   R74        2.05834  -0.00024  -0.00095   0.00000  -0.00095   2.05739
   R75        2.05670  -0.00040  -0.00254   0.00000  -0.00254   2.05416
   R76        2.60056   0.00375   0.00636   0.00000   0.00636   2.60692
   R77        1.92821  -0.00093  -0.00757   0.00000  -0.00757   1.92063
   R78        2.29918  -0.00170  -0.00902   0.00000  -0.00902   2.29016
   R79        2.63517   0.00341   0.01766   0.00000   0.01766   2.65283
   R80        2.74003   0.00135   0.01785   0.00000   0.01785   2.75788
   R81        2.79706  -0.00009  -0.00337   0.00000  -0.00337   2.79369
   R82        2.09490   0.00172   0.01421   0.00000   0.01421   2.10911
   R83        2.10329  -0.00022  -0.00867   0.00000  -0.00867   2.09462
   R84        2.60308  -0.00791  -0.01781   0.00000  -0.01781   2.58526
   R85        3.28564   0.00028   0.01157   0.00000   0.01157   3.29721
   R86        2.65488   0.00255   0.01950   0.00000   0.01950   2.67438
   R87        2.05570  -0.00102  -0.00497   0.00000  -0.00497   2.05072
   R88        2.48549  -0.00399  -0.01331   0.00000  -0.01330   2.47218
   R89        3.34965  -0.00084   0.00822   0.00000   0.00823   3.35788
   R90        2.04405   0.00074   0.00628   0.00000   0.00628   2.05033
   R91        2.90301  -0.00186  -0.00749   0.00000  -0.00749   2.89552
   R92        2.89479  -0.00247  -0.00235   0.00000  -0.00235   2.89244
   R93        2.12612  -0.00031  -0.00353   0.00000  -0.00353   2.12258
   R94        2.07476  -0.00039   0.00166   0.00000   0.00166   2.07642
   R95        2.07396  -0.00071  -0.00160   0.00000  -0.00160   2.07236
   R96        2.07136  -0.00046  -0.00136   0.00000  -0.00136   2.07001
   R97        2.07423  -0.00014  -0.00273   0.00000  -0.00273   2.07149
   R98        2.07465   0.00074   0.00236   0.00000   0.00236   2.07701
   R99        2.07285  -0.00101  -0.00494   0.00000  -0.00494   2.06791
   R100       3.27167   0.00037   0.01110   0.00000   0.01110   3.28277
   R101       2.03190   0.00056   0.00658   0.00000   0.00658   2.03848
    A1        1.92996   0.00003   0.00316   0.00000   0.00317   1.93313
    A2        1.94524   0.00010   0.00413   0.00000   0.00415   1.94938
    A3        1.97144   0.00023   0.00162   0.00000   0.00162   1.97306
    A4        1.86521   0.00021   0.01056   0.00000   0.01059   1.87580
    A5        1.86256  -0.00036  -0.01194   0.00000  -0.01194   1.85062
    A6        1.88435  -0.00023  -0.00801   0.00000  -0.00801   1.87634
    A7        1.94721  -0.00061  -0.00101   0.00000  -0.00096   1.94625
    A8        1.95309   0.00066   0.00625   0.00000   0.00626   1.95934
    A9        1.89899  -0.00061  -0.02678   0.00000  -0.02679   1.87220
   A10        1.90510   0.00017   0.01002   0.00000   0.01005   1.91515
   A11        1.88861   0.00037   0.00468   0.00000   0.00476   1.89338
   A12        1.86806   0.00005   0.00643   0.00000   0.00645   1.87451
   A13        1.95474  -0.00004  -0.00081   0.00000  -0.00081   1.95394
   A14        1.94265   0.00010   0.00638   0.00000   0.00640   1.94905
   A15        1.93631  -0.00006   0.00148   0.00000   0.00151   1.93782
   A16        1.87445  -0.00001  -0.00238   0.00000  -0.00238   1.87207
   A17        1.88865  -0.00032  -0.01850   0.00000  -0.01849   1.87017
   A18        1.86322   0.00034   0.01342   0.00000   0.01346   1.87667
   A19        2.18750   0.00105   0.00982   0.00000   0.00982   2.19733
   A20        2.13752  -0.00013  -0.00888   0.00000  -0.00888   2.12865
   A21        1.95807  -0.00092  -0.00106   0.00000  -0.00105   1.95702
   A22        1.95512   0.00138   0.00599   0.00000   0.00599   1.96112
   A23        2.05456   0.00016  -0.00831   0.00000  -0.00831   2.04625
   A24        2.01623  -0.00052  -0.00580   0.00000  -0.00580   2.01043
   A25        2.21239   0.00036   0.01410   0.00000   0.01411   2.22650
   A26        1.94465   0.00045   0.00402   0.00000   0.00402   1.94867
   A27        1.91708   0.00064   0.01037   0.00000   0.01037   1.92745
   A28        1.91327   0.00044   0.00679   0.00000   0.00680   1.92007
   A29        1.93319  -0.00099  -0.00838   0.00000  -0.00836   1.92483
   A30        1.90472  -0.00051  -0.00214   0.00000  -0.00211   1.90260
   A31        1.84839  -0.00004  -0.01158   0.00000  -0.01155   1.83684
   A32        2.04823  -0.00036  -0.00344   0.00000  -0.00340   2.04482
   A33        2.17162   0.00011   0.00602   0.00000   0.00606   2.17768
   A34        2.05442   0.00011  -0.00566   0.00000  -0.00563   2.04879
   A35        1.92674  -0.00023   0.00139   0.00000   0.00140   1.92814
   A36        1.91384   0.00001   0.00214   0.00000   0.00215   1.91598
   A37        1.93869   0.00034   0.00101   0.00000   0.00102   1.93970
   A38        1.89384   0.00031   0.01068   0.00000   0.01069   1.90454
   A39        1.89286   0.00016   0.00695   0.00000   0.00696   1.89982
   A40        1.89700  -0.00059  -0.02246   0.00000  -0.02245   1.87455
   A41        2.11176   0.00105   0.00654   0.00000   0.00655   2.11831
   A42        2.06229  -0.00132  -0.00865   0.00000  -0.00864   2.05365
   A43        2.10911   0.00027   0.00193   0.00000   0.00194   2.11106
   A44        2.06286   0.00022  -0.00283   0.00000  -0.00254   2.06031
   A45        2.13451  -0.00054  -0.01226   0.00000  -0.01198   2.12253
   A46        2.02636  -0.00034  -0.00705   0.00000  -0.00675   2.01961
   A47        1.86616   0.00423   0.00398   0.00000   0.00388   1.87004
   A48        1.89720   0.00414   0.02111   0.00000   0.02108   1.91828
   A49        1.86721  -0.00149   0.01362   0.00000   0.01361   1.88082
   A50        2.00401  -0.00999  -0.02154   0.00000  -0.02146   1.98256
   A51        1.91834   0.00202  -0.00546   0.00000  -0.00531   1.91304
   A52        1.90572   0.00165  -0.00935   0.00000  -0.00916   1.89656
   A53        2.11693   0.00396   0.01320   0.00000   0.01474   2.13166
   A54        2.05918  -0.00918  -0.02117   0.00000  -0.01963   2.03954
   A55        2.09598   0.00594   0.01433   0.00000   0.01587   2.11184
   A56        2.11535   0.00027  -0.00604   0.00000  -0.00598   2.10938
   A57        2.12369   0.00062   0.01292   0.00000   0.01298   2.13667
   A58        2.04388  -0.00095  -0.00799   0.00000  -0.00793   2.03595
   A59        1.89563   0.00496  -0.00092   0.00000  -0.00084   1.89479
   A60        1.99401  -0.00971  -0.03227   0.00000  -0.03226   1.96175
   A61        1.87901   0.00125   0.00915   0.00000   0.00921   1.88822
   A62        1.92730   0.00389   0.00504   0.00000   0.00516   1.93246
   A63        1.86988  -0.00172   0.01978   0.00000   0.01981   1.88969
   A64        1.89352   0.00163   0.00158   0.00000   0.00163   1.89515
   A65        1.98297   0.00196   0.01201   0.00000   0.01203   1.99500
   A66        1.89129  -0.00072  -0.00804   0.00000  -0.00805   1.88324
   A67        1.90565  -0.00021   0.00152   0.00000   0.00157   1.90722
   A68        1.92094  -0.00065  -0.00248   0.00000  -0.00250   1.91844
   A69        1.92394  -0.00056   0.00466   0.00000   0.00470   1.92864
   A70        1.83275   0.00002  -0.00986   0.00000  -0.00986   1.82289
   A71        2.09558  -0.00027  -0.00076   0.00000  -0.00076   2.09483
   A72        2.10543  -0.00002  -0.00396   0.00000  -0.00396   2.10147
   A73        2.08218   0.00029   0.00467   0.00000   0.00467   2.08685
   A74        2.09853   0.00017  -0.00324   0.00000  -0.00324   2.09529
   A75        2.09379  -0.00010   0.00150   0.00000   0.00150   2.09529
   A76        2.09085  -0.00008   0.00174   0.00000   0.00174   2.09259
   A77        2.09706   0.00059   0.00249   0.00000   0.00249   2.09955
   A78        2.09116  -0.00023  -0.00070   0.00000  -0.00070   2.09046
   A79        2.09497  -0.00036  -0.00179   0.00000  -0.00179   2.09317
   A80        2.08968  -0.00004   0.00010   0.00000   0.00010   2.08979
   A81        2.09451   0.00006   0.00293   0.00000   0.00293   2.09744
   A82        2.09898  -0.00002  -0.00303   0.00000  -0.00303   2.09594
   A83        2.09933  -0.00027   0.00019   0.00000   0.00019   2.09952
   A84        2.09173   0.00021   0.00330   0.00000   0.00330   2.09503
   A85        2.09213   0.00007  -0.00350   0.00000  -0.00350   2.08863
   A86        2.09958  -0.00075  -0.00424   0.00000  -0.00424   2.09534
   A87        2.09948  -0.00011  -0.00333   0.00000  -0.00333   2.09615
   A88        2.08408   0.00086   0.00755   0.00000   0.00755   2.09163
   A89        1.99070  -0.00721  -0.02014   0.00000  -0.02012   1.97058
   A90        1.92692   0.00208   0.00050   0.00000   0.00050   1.92742
   A91        1.88048   0.00165  -0.00400   0.00000  -0.00401   1.87647
   A92        1.92269   0.00105   0.00477   0.00000   0.00482   1.92752
   A93        1.88712   0.00376   0.00925   0.00000   0.00931   1.89643
   A94        1.84959  -0.00083   0.01154   0.00000   0.01158   1.86117
   A95        1.88002  -0.00276  -0.01880   0.00000  -0.01879   1.86123
   A96        1.95645   0.00156   0.00686   0.00000   0.00690   1.96335
   A97        1.94479   0.00016  -0.00025   0.00000  -0.00015   1.94463
   A98        1.82825   0.00111  -0.00221   0.00000  -0.00223   1.82602
   A99        1.92406   0.00041  -0.00220   0.00000  -0.00217   1.92189
   A100       1.92617  -0.00048   0.01489   0.00000   0.01492   1.94109
   A101       1.92514  -0.00044   0.00187   0.00000   0.00187   1.92701
   A102       1.95293   0.00001  -0.00267   0.00000  -0.00266   1.95026
   A103       1.90084  -0.00057  -0.00256   0.00000  -0.00254   1.89830
   A104       1.88048   0.00058   0.02056   0.00000   0.02056   1.90104
   A105       1.94189   0.00024  -0.00610   0.00000  -0.00609   1.93580
   A106       1.92707  -0.00022  -0.00774   0.00000  -0.00772   1.91935
   A107       1.85710  -0.00002  -0.00076   0.00000  -0.00073   1.85637
   A108       1.95017   0.00015   0.00021   0.00000   0.00023   1.95040
   A109       1.91360  -0.00020   0.00159   0.00000   0.00161   1.91522
   A110       1.91805  -0.00042  -0.01077   0.00000  -0.01076   1.90729
   A111       1.92740   0.00032   0.01078   0.00000   0.01079   1.93818
   A112       1.91884   0.00013  -0.00142   0.00000  -0.00140   1.91743
   A113       1.83222   0.00001  -0.00075   0.00000  -0.00075   1.83147
   A114       2.10458  -0.00071  -0.00870   0.00000  -0.00869   2.09588
   A115       2.09414   0.00026   0.00171   0.00000   0.00171   2.09584
   A116       2.08447   0.00045   0.00699   0.00000   0.00699   2.09146
   A117       2.09943  -0.00084  -0.00682   0.00000  -0.00682   2.09261
   A118       2.09534   0.00011   0.00125   0.00000   0.00125   2.09659
   A119       2.08841   0.00073   0.00558   0.00000   0.00558   2.09399
   A120       2.09735   0.00007   0.00249   0.00000   0.00249   2.09984
   A121       2.09156  -0.00002  -0.00375   0.00000  -0.00375   2.08781
   A122       2.09427  -0.00005   0.00127   0.00000   0.00127   2.09554
   A123       2.09069  -0.00001  -0.00015   0.00000  -0.00014   2.09055
   A124       2.09613   0.00019   0.00175   0.00000   0.00175   2.09787
   A125       2.09637  -0.00018  -0.00160   0.00000  -0.00160   2.09476
   A126       2.09771   0.00034   0.00129   0.00000   0.00129   2.09900
   A127       2.09278  -0.00029  -0.00033   0.00000  -0.00033   2.09244
   A128       2.09270  -0.00006  -0.00095   0.00000  -0.00096   2.09174
   A129       2.09671  -0.00001  -0.00379   0.00000  -0.00379   2.09292
   A130       2.09045   0.00054   0.01208   0.00000   0.01208   2.10253
   A131       2.09602  -0.00053  -0.00828   0.00000  -0.00828   2.08774
   A132       2.12766  -0.00053  -0.00392   0.00000  -0.00386   2.12379
   A133       2.06105  -0.00050  -0.00238   0.00000  -0.00232   2.05873
   A134       2.09084   0.00100   0.00365   0.00000   0.00371   2.09455
   A135       2.24501   0.00095   0.01385   0.00000   0.01395   2.25896
   A136       1.89144  -0.00094  -0.01347   0.00000  -0.01337   1.87806
   A137       2.14575   0.00007   0.00025   0.00000   0.00035   2.14610
   A138       2.03421  -0.00288  -0.01936   0.00000  -0.01936   2.01485
   A139       1.93450  -0.00260  -0.02627   0.00000  -0.02626   1.90824
   A140       1.77668  -0.00036  -0.02092   0.00000  -0.02089   1.75579
   A141       1.90522   0.00032  -0.00519   0.00000  -0.00528   1.89994
   A142       1.95386   0.00126   0.00887   0.00000   0.00915   1.96301
   A143       1.96015   0.00116   0.02186   0.00000   0.02200   1.98215
   A144       1.92473   0.00003   0.01521   0.00000   0.01544   1.94017
   A145       2.25937  -0.00054   0.00670   0.00000   0.00671   2.26608
   A146       2.11711  -0.00018  -0.01291   0.00000  -0.01290   2.10420
   A147       1.90668   0.00073   0.00619   0.00000   0.00618   1.91286
   A148       2.01882  -0.00052  -0.00741   0.00000  -0.00742   2.01140
   A149       2.19928   0.00025   0.01841   0.00000   0.01841   2.21769
   A150       2.06508   0.00027  -0.01100   0.00000  -0.01100   2.05409
   A151       1.95129   0.00133   0.00726   0.00000   0.00727   1.95856
   A152       1.97136  -0.00147  -0.00275   0.00000  -0.00275   1.96861
   A153       2.18350   0.00168   0.01708   0.00000   0.01708   2.20058
   A154       2.12833  -0.00021  -0.01433   0.00000  -0.01433   2.11399
   A155       1.57662  -0.00006  -0.00329   0.00000  -0.00329   1.57333
   A156       1.96994   0.00067  -0.00856   0.00000  -0.00846   1.96148
   A157       1.94851  -0.00405  -0.02980   0.00000  -0.02977   1.91874
   A158       1.84477   0.00099   0.00809   0.00000   0.00802   1.85280
   A159       1.95367   0.00114   0.00493   0.00000   0.00518   1.95885
   A160       1.87796  -0.00024   0.01794   0.00000   0.01798   1.89594
   A161       1.86066   0.00172   0.00982   0.00000   0.00985   1.87052
   A162       1.97032  -0.00003   0.00416   0.00000   0.00416   1.97448
   A163       1.95248   0.00117   0.00580   0.00000   0.00581   1.95830
   A164       1.94273   0.00025   0.00626   0.00000   0.00629   1.94901
   A165       1.86940  -0.00109  -0.01753   0.00000  -0.01753   1.85187
   A166       1.86832  -0.00002  -0.00497   0.00000  -0.00496   1.86336
   A167       1.85416  -0.00040   0.00493   0.00000   0.00496   1.85913
   A168       1.92882   0.00031   0.00313   0.00000   0.00312   1.93195
   A169       1.96902  -0.00133  -0.00537   0.00000  -0.00535   1.96368
   A170       1.96674  -0.00090  -0.00877   0.00000  -0.00874   1.95800
   A171       1.85961   0.00097   0.00383   0.00000   0.00383   1.86344
   A172       1.85514   0.00077   0.01469   0.00000   0.01468   1.86982
   A173       1.87773   0.00040  -0.00613   0.00000  -0.00607   1.87165
   A174       1.91142  -0.00008   0.00310   0.00000   0.00309   1.91451
   A175       2.23751   0.00028   0.00963   0.00000   0.00963   2.24714
   A176       2.13410  -0.00019  -0.01277   0.00000  -0.01277   2.12133
   A177       1.58393   0.00015  -0.00224   0.00000  -0.00224   1.58170
    D1        0.88360  -0.00005  -0.00798   0.00000  -0.00800   0.87560
    D2        3.02386   0.00020   0.00901   0.00000   0.00901   3.03288
    D3       -1.19878   0.00026   0.00362   0.00000   0.00365  -1.19513
    D4        2.95570   0.00029   0.01018   0.00000   0.01015   2.96585
    D5       -1.18722   0.00054   0.02717   0.00000   0.02716  -1.16005
    D6        0.87333   0.00060   0.02178   0.00000   0.02180   0.89513
    D7       -1.20238   0.00024   0.00396   0.00000   0.00394  -1.19844
    D8        0.93788   0.00048   0.02095   0.00000   0.02095   0.95884
    D9        2.99843   0.00054   0.01556   0.00000   0.01559   3.01402
   D10        0.80358   0.00056   0.01932   0.00000   0.01931   0.82289
   D11        2.90226   0.00059   0.02016   0.00000   0.02016   2.92242
   D12       -1.30884   0.00104   0.04240   0.00000   0.04239  -1.26645
   D13       -1.36393   0.00002   0.00470   0.00000   0.00469  -1.35924
   D14        0.73474   0.00005   0.00554   0.00000   0.00554   0.74028
   D15        2.80683   0.00050   0.02778   0.00000   0.02777   2.83460
   D16        2.89210  -0.00033  -0.01119   0.00000  -0.01118   2.88092
   D17       -1.29241  -0.00030  -0.01035   0.00000  -0.01033  -1.30274
   D18        0.77967   0.00015   0.01189   0.00000   0.01190   0.79158
   D19        2.67167  -0.00022  -0.01480   0.00000  -0.01479   2.65688
   D20       -0.48504  -0.00030  -0.02235   0.00000  -0.02233  -0.50737
   D21       -1.44747  -0.00043  -0.00426   0.00000  -0.00427  -1.45174
   D22        1.67900  -0.00050  -0.01181   0.00000  -0.01181   1.66719
   D23        0.59277   0.00012   0.01031   0.00000   0.01030   0.60308
   D24       -2.56394   0.00005   0.00277   0.00000   0.00276  -2.56118
   D25        3.12692  -0.00007  -0.00763   0.00000  -0.00761   3.11930
   D26       -0.00090   0.00000  -0.00063   0.00000  -0.00063  -0.00153
   D27       -3.12929   0.00007   0.00732   0.00000   0.00734  -3.12195
   D28       -0.00102   0.00002   0.00084   0.00000   0.00084  -0.00018
   D29       -3.13651  -0.00007  -0.00429   0.00000  -0.00431  -3.14082
   D30        0.00311  -0.00002   0.00001   0.00000   0.00001   0.00312
   D31        1.86074   0.00046   0.01560   0.00000   0.01560   1.87634
   D32       -2.27358  -0.00005   0.01506   0.00000   0.01505  -2.25853
   D33       -0.24948   0.00051   0.01101   0.00000   0.01101  -0.23846
   D34       -1.27863   0.00041   0.01069   0.00000   0.01069  -1.26794
   D35        0.87024  -0.00010   0.01015   0.00000   0.01015   0.88038
   D36        2.89434   0.00046   0.00610   0.00000   0.00610   2.90044
   D37       -0.00379   0.00004   0.00064   0.00000   0.00063  -0.00316
   D38       -3.12635   0.00008   0.00337   0.00000   0.00336  -3.12298
   D39        3.13562   0.00009   0.00546   0.00000   0.00545   3.14108
   D40        0.01306   0.00013   0.00819   0.00000   0.00818   0.02125
   D41       -1.42388   0.00047   0.00734   0.00000   0.00732  -1.41656
   D42        1.57089  -0.00065  -0.01586   0.00000  -0.01584   1.55505
   D43        2.71967   0.00004  -0.00281   0.00000  -0.00285   2.71682
   D44       -0.56874  -0.00108  -0.02601   0.00000  -0.02601  -0.59475
   D45        0.69134   0.00097   0.01703   0.00000   0.01703   0.70837
   D46       -2.59708  -0.00016  -0.00616   0.00000  -0.00614  -2.60321
   D47       -0.59042  -0.00076  -0.01546   0.00000  -0.01549  -0.60591
   D48       -2.67610  -0.00100  -0.03096   0.00000  -0.03098  -2.70708
   D49        1.51000  -0.00049  -0.00509   0.00000  -0.00511   1.50489
   D50        2.68790   0.00029   0.00490   0.00000   0.00493   2.69283
   D51        0.60223   0.00005  -0.01059   0.00000  -0.01057   0.59166
   D52       -1.49487   0.00056   0.01528   0.00000   0.01530  -1.47956
   D53       -3.10746   0.00034  -0.01104   0.00000  -0.01105  -3.11852
   D54        0.02664  -0.00018  -0.02312   0.00000  -0.02313   0.00351
   D55       -0.11317  -0.00082  -0.03410   0.00000  -0.03409  -0.14726
   D56        3.02093  -0.00135  -0.04618   0.00000  -0.04616   2.97477
   D57        2.92332  -0.00073  -0.03904   0.00000  -0.03909   2.88423
   D58        0.15970   0.00132   0.02181   0.00000   0.02186   0.18156
   D59       -0.22575  -0.00125  -0.05103   0.00000  -0.05109  -0.27684
   D60       -2.98937   0.00080   0.00981   0.00000   0.00986  -2.97951
   D61       -1.68479  -0.00315  -0.01193   0.00000  -0.01195  -1.69673
   D62        2.42565   0.00388  -0.00098   0.00000  -0.00100   2.42465
   D63        0.36984   0.00058  -0.00922   0.00000  -0.00918   0.36066
   D64        1.10205  -0.00512  -0.07053   0.00000  -0.07055   1.03150
   D65       -1.07069   0.00191  -0.05958   0.00000  -0.05961  -1.13030
   D66       -3.12651  -0.00139  -0.06782   0.00000  -0.06778   3.08890
   D67       -0.33319  -0.00342  -0.06608   0.00000  -0.06609  -0.39927
   D68        2.64890   0.00222   0.07574   0.00000   0.07573   2.72464
   D69        1.77278  -0.00141  -0.05020   0.00000  -0.05018   1.72260
   D70       -1.52831   0.00423   0.09162   0.00000   0.09164  -1.43667
   D71       -2.35397  -0.00502  -0.08154   0.00000  -0.08156  -2.43553
   D72        0.62812   0.00063   0.06028   0.00000   0.06026   0.68838
   D73        1.11393   0.00101   0.07618   0.00000   0.07626   1.19019
   D74       -2.95050  -0.00026   0.05285   0.00000   0.05280  -2.89771
   D75       -0.93419   0.00032   0.05405   0.00000   0.05407  -0.88012
   D76       -0.97488  -0.00088   0.07032   0.00000   0.07032  -0.90456
   D77        1.24387  -0.00215   0.04699   0.00000   0.04686   1.29073
   D78       -3.02300  -0.00157   0.04819   0.00000   0.04813  -2.97488
   D79       -3.13802   0.00244   0.09915   0.00000   0.09927  -3.03875
   D80       -0.91928   0.00117   0.07583   0.00000   0.07581  -0.84347
   D81        1.09704   0.00175   0.07702   0.00000   0.07708   1.17411
   D82       -3.02033  -0.00522  -0.01572   0.00000  -0.01565  -3.03598
   D83        0.14634  -0.00244   0.01331   0.00000   0.01327   0.15961
   D84       -0.03625   0.00019   0.12435   0.00000   0.12439   0.08814
   D85        3.13041   0.00297   0.15339   0.00000   0.15332  -2.99945
   D86        2.02744   0.00097   0.03787   0.00000   0.03795   2.06538
   D87       -2.09589   0.00300   0.02187   0.00000   0.02186  -2.07403
   D88        0.00828  -0.00022   0.01000   0.00000   0.01006   0.01834
   D89       -1.13812  -0.00167   0.01092   0.00000   0.01092  -1.12720
   D90        1.02174   0.00036  -0.00508   0.00000  -0.00517   1.01657
   D91        3.12591  -0.00285  -0.01695   0.00000  -0.01697   3.10894
   D92        0.99607  -0.00307  -0.01479   0.00000  -0.01475   0.98131
   D93       -1.14469  -0.00304  -0.01373   0.00000  -0.01371  -1.15840
   D94       -3.13182  -0.00257   0.00125   0.00000   0.00127  -3.13054
   D95       -1.20312   0.00307   0.02310   0.00000   0.02307  -1.18005
   D96        2.93931   0.00311   0.02416   0.00000   0.02411   2.96342
   D97        0.95218   0.00357   0.03914   0.00000   0.03910   0.99128
   D98        3.02113   0.00000   0.00626   0.00000   0.00629   3.02742
   D99        0.88038   0.00004   0.00732   0.00000   0.00733   0.88770
   D100      -1.10675   0.00050   0.02230   0.00000   0.02231  -1.08444
   D101       1.12658  -0.00349   0.03460   0.00000   0.03461   1.16118
   D102      -1.04928  -0.00107   0.04290   0.00000   0.04291  -1.00638
   D103      -3.06160  -0.00212   0.03113   0.00000   0.03111  -3.03048
   D104      -3.01387  -0.00104   0.01431   0.00000   0.01430  -2.99957
   D105       1.09345   0.00138   0.02261   0.00000   0.02260   1.11606
   D106      -0.91886   0.00034   0.01085   0.00000   0.01081  -0.90805
   D107      -0.96950   0.00004   0.04231   0.00000   0.04234  -0.92716
   D108       3.13782   0.00246   0.05061   0.00000   0.05064  -3.09472
   D109       1.12551   0.00142   0.03885   0.00000   0.03885   1.16436
   D110      -1.59437   0.00039   0.01220   0.00000   0.01218  -1.58218
   D111       1.54891   0.00053   0.02068   0.00000   0.02067   1.56958
   D112       0.52997   0.00035   0.00830   0.00000   0.00829   0.53826
   D113      -2.60994   0.00049   0.01678   0.00000   0.01678  -2.59316
   D114       2.54352  -0.00033  -0.00241   0.00000  -0.00240   2.54113
   D115      -0.59639  -0.00019   0.00607   0.00000   0.00609  -0.59030
   D116       3.13763   0.00007   0.00507   0.00000   0.00506  -3.14049
   D117      -0.00989   0.00007   0.00488   0.00000   0.00487  -0.00501
   D118      -0.00562  -0.00007  -0.00337   0.00000  -0.00336  -0.00898
   D119       3.13005  -0.00007  -0.00356   0.00000  -0.00355   3.12649
   D120      -3.13711  -0.00008  -0.00495   0.00000  -0.00495   3.14112
   D121       0.01445  -0.00004  -0.00293   0.00000  -0.00293   0.01152
   D122       0.00615   0.00006   0.00351   0.00000   0.00351   0.00965
   D123      -3.12548   0.00010   0.00553   0.00000   0.00553  -3.11995
   D124       0.00071   0.00003   0.00087   0.00000   0.00087   0.00159
   D125       3.13922   0.00001   0.00013   0.00000   0.00013   3.13936
   D126      -3.13496   0.00002   0.00106   0.00000   0.00106  -3.13390
   D127       0.00355   0.00001   0.00032   0.00000   0.00032   0.00387
   D128       0.00372   0.00002   0.00146   0.00000   0.00146   0.00517
   D129       3.14049  -0.00001   0.00020   0.00000   0.00021   3.14070
   D130      -3.13479   0.00003   0.00220   0.00000   0.00220  -3.13259
   D131       0.00199   0.00001   0.00094   0.00000   0.00094   0.00293
   D132      -0.00320  -0.00003  -0.00130   0.00000  -0.00130  -0.00450
   D133       3.13587  -0.00005  -0.00299   0.00000  -0.00299   3.13288
   D134      -3.13996   0.00000  -0.00007   0.00000  -0.00007  -3.14003
   D135      -0.00089  -0.00003  -0.00176   0.00000  -0.00175  -0.00265
   D136      -0.00176  -0.00001  -0.00117   0.00000  -0.00117  -0.00294
   D137       3.12995  -0.00005  -0.00325   0.00000  -0.00325   3.12670
   D138      -3.14083   0.00001   0.00050   0.00000   0.00050  -3.14033
   D139      -0.00912  -0.00003  -0.00159   0.00000  -0.00158  -0.01070
   D140      -1.23531   0.00084  -0.02042   0.00000  -0.02040  -1.25571
   D141       3.04563   0.00030  -0.01026   0.00000  -0.01025   3.03538
   D142       0.87713  -0.00035  -0.03516   0.00000  -0.03516   0.84197
   D143       0.94281  -0.00101  -0.03104   0.00000  -0.03101   0.91180
   D144      -1.05944  -0.00155  -0.02087   0.00000  -0.02085  -1.08029
   D145       3.05524  -0.00221  -0.04577   0.00000  -0.04577   3.00948
   D146       2.95660   0.00068  -0.00911   0.00000  -0.00912   2.94748
   D147       0.95435   0.00014   0.00106   0.00000   0.00104   0.95538
   D148      -1.21415  -0.00052  -0.02384   0.00000  -0.02388  -1.23803
   D149       2.33925  -0.00126  -0.01710   0.00000  -0.01709   2.32215
   D150      -1.85821  -0.00023  -0.01920   0.00000  -0.01922  -1.87743
   D151       0.21389   0.00004  -0.00401   0.00000  -0.00399   0.20990
   D152      -0.99702  -0.00130  -0.03286   0.00000  -0.03283  -1.02985
   D153       3.13206  -0.00120  -0.02158   0.00000  -0.02156   3.11050
   D154       1.12446  -0.00119  -0.03035   0.00000  -0.03033   1.09413
   D155      -3.03070   0.00056  -0.01261   0.00000  -0.01261  -3.04331
   D156       1.09837   0.00066  -0.00133   0.00000  -0.00134   1.09704
   D157      -0.90923   0.00067  -0.01010   0.00000  -0.01010  -0.91933
   D158       1.18180  -0.00031  -0.01630   0.00000  -0.01632   1.16549
   D159      -0.97231  -0.00021  -0.00502   0.00000  -0.00504  -0.97735
   D160      -2.97990  -0.00020  -0.01379   0.00000  -0.01381  -2.99372
   D161       3.07182   0.00007  -0.00338   0.00000  -0.00338   3.06844
   D162      -1.06857   0.00044   0.01171   0.00000   0.01171  -1.05685
   D163       0.93679   0.00010   0.00570   0.00000   0.00571   0.94251
   D164      -1.08059  -0.00049  -0.01284   0.00000  -0.01284  -1.09343
   D165       1.06221  -0.00013   0.00225   0.00000   0.00225   1.06446
   D166       3.06757  -0.00047  -0.00376   0.00000  -0.00375   3.06382
   D167       0.97740  -0.00052  -0.02233   0.00000  -0.02235   0.95505
   D168       3.12020  -0.00015  -0.00725   0.00000  -0.00726   3.11294
   D169      -1.15762  -0.00049  -0.01325   0.00000  -0.01326  -1.17088
   D170       1.12634  -0.00024  -0.00401   0.00000  -0.00401   1.12234
   D171      -2.10702  -0.00054  -0.03087   0.00000  -0.03089  -2.13791
   D172      -1.03433   0.00000   0.00514   0.00000   0.00515  -1.02919
   D173       2.01548  -0.00030  -0.02172   0.00000  -0.02173   1.99375
   D174      -3.13416   0.00015   0.01835   0.00000   0.01836  -3.11580
   D175      -0.08434  -0.00015  -0.00851   0.00000  -0.00852  -0.09286
   D176       1.68814   0.00027   0.01502   0.00000   0.01502   1.70315
   D177      -1.45356   0.00030   0.01580   0.00000   0.01579  -1.43777
   D178      -0.44678   0.00020   0.00506   0.00000   0.00506  -0.44172
   D179       2.69470   0.00022   0.00583   0.00000   0.00583   2.70054
   D180      -2.46047  -0.00007   0.00053   0.00000   0.00053  -2.45995
   D181       0.68101  -0.00005   0.00130   0.00000   0.00130   0.68231
   D182      -3.14115   0.00001   0.00045   0.00000   0.00045  -3.14070
   D183       0.00379   0.00001  -0.00114   0.00000  -0.00114   0.00265
   D184       0.00055  -0.00001  -0.00032   0.00000  -0.00032   0.00023
   D185      -3.13770  -0.00002  -0.00191   0.00000  -0.00191  -3.13961
   D186      -3.14153  -0.00002  -0.00044   0.00000  -0.00044   3.14122
   D187      -0.00166  -0.00002  -0.00018   0.00000  -0.00018  -0.00184
   D188      -0.00004   0.00001   0.00033   0.00000   0.00033   0.00029
   D189       3.13983   0.00001   0.00059   0.00000   0.00059   3.14041
   D190      -0.00028   0.00001   0.00016   0.00000   0.00016  -0.00012
   D191      -3.14079   0.00000  -0.00062   0.00000  -0.00062  -3.14141
   D192       3.13798   0.00002   0.00174   0.00000   0.00174   3.13972
   D193      -0.00253   0.00001   0.00096   0.00000   0.00096  -0.00157
   D194      -0.00050   0.00000  -0.00001   0.00000  -0.00001  -0.00051
   D195      -3.14040   0.00000  -0.00013   0.00000  -0.00013  -3.14053
   D196       3.14001   0.00000   0.00077   0.00000   0.00077   3.14078
   D197       0.00011   0.00000   0.00065   0.00000   0.00065   0.00076
   D198       0.00100   0.00000   0.00003   0.00000   0.00003   0.00104
   D199      -3.13930   0.00000  -0.00008   0.00000  -0.00008  -3.13938
   D200       3.14091   0.00000   0.00015   0.00000   0.00015   3.14106
   D201       0.00060   0.00000   0.00004   0.00000   0.00004   0.00064
   D202      -0.00073   0.00000  -0.00019   0.00000  -0.00019  -0.00092
   D203      -3.14060   0.00000  -0.00046   0.00000  -0.00047  -3.14106
   D204       3.13958   0.00000  -0.00008   0.00000  -0.00008   3.13949
   D205      -0.00029   0.00000  -0.00035   0.00000  -0.00035  -0.00064
   D206      -0.08690   0.00067  -0.01012   0.00000  -0.01013  -0.09703
   D207       3.10195  -0.00108  -0.04538   0.00000  -0.04533   3.05662
   D208      -3.13519   0.00105   0.01765   0.00000   0.01761  -3.11758
   D209       0.05366  -0.00070  -0.01761   0.00000  -0.01759   0.03607
   D210       2.90083  -0.00024  -0.03122   0.00000  -0.03115   2.86968
   D211      -0.19678  -0.00190  -0.06397   0.00000  -0.06404  -0.26081
   D212      -1.41305  -0.00075  -0.05823   0.00000  -0.05831  -1.47136
   D213       2.78949  -0.00083  -0.04671   0.00000  -0.04658   2.74291
   D214       0.75484  -0.00082  -0.05175   0.00000  -0.05179   0.70305
   D215      -0.15565  -0.00001  -0.01184   0.00000  -0.01181  -0.16746
   D216       2.99431  -0.00013  -0.00947   0.00000  -0.00943   2.98488
   D217       1.81493  -0.00127  -0.04761   0.00000  -0.04751   1.76741
   D218      -1.31830  -0.00139  -0.04524   0.00000  -0.04514  -1.36344
   D219      -2.29188   0.00064  -0.00105   0.00000  -0.00119  -2.29307
   D220       0.85808   0.00053   0.00132   0.00000   0.00119   0.85927
   D221      -3.13464  -0.00013   0.00213   0.00000   0.00212  -3.13252
   D222       0.00347  -0.00021   0.00229   0.00000   0.00228   0.00575
   D223      -0.00061  -0.00003  -0.00013   0.00000  -0.00013  -0.00074
   D224       3.13749  -0.00011   0.00003   0.00000   0.00003   3.13752
   D225       3.13331   0.00011  -0.00215   0.00000  -0.00216   3.13115
   D226      -0.00144   0.00002  -0.00025   0.00000  -0.00025  -0.00169
   D227       0.00322   0.00004   0.00064   0.00000   0.00064   0.00385
   D228      -3.13517   0.00011   0.00043   0.00000   0.00043  -3.13474
   D229      -0.00425  -0.00002  -0.00081   0.00000  -0.00081  -0.00506
   D230       3.14006  -0.00003  -0.00070   0.00000  -0.00070   3.13936
   D231       0.00337   0.00000   0.00062   0.00000   0.00062   0.00399
   D232      -3.14084   0.00001   0.00056   0.00000   0.00057  -3.14027
   D233       0.14750  -0.00134  -0.00078   0.00000  -0.00076   0.14674
   D234       2.25762  -0.00193  -0.01639   0.00000  -0.01636   2.24127
   D235      -1.95417  -0.00148  -0.00184   0.00000  -0.00182  -1.95599
   D236      -2.06852   0.00268   0.04199   0.00000   0.04194  -2.02658
   D237       0.04161   0.00210   0.02637   0.00000   0.02634   0.06795
   D238       2.11300   0.00254   0.04093   0.00000   0.04088   2.15388
   D239       2.17596   0.00009   0.01554   0.00000   0.01556   2.19152
   D240      -1.99710  -0.00049  -0.00007   0.00000  -0.00004  -1.99714
   D241       0.07430  -0.00004   0.01448   0.00000   0.01450   0.08879
   D242       2.78085   0.00101   0.03424   0.00000   0.03425   2.81511
   D243      -1.42252   0.00158   0.03769   0.00000   0.03772  -1.38480
   D244       0.70822   0.00041   0.01928   0.00000   0.01929   0.72750
   D245      -1.27481  -0.00047   0.00351   0.00000   0.00351  -1.27130
   D246       0.80501   0.00010   0.00696   0.00000   0.00697   0.81198
   D247       2.93574  -0.00106  -0.01144   0.00000  -0.01146   2.92428
   D248       0.77430   0.00092   0.03447   0.00000   0.03446   0.80876
   D249       2.85412   0.00149   0.03792   0.00000   0.03792   2.89204
   D250      -1.29833   0.00032   0.01952   0.00000   0.01949  -1.27885
   D251       0.00265  -0.00003  -0.00079   0.00000  -0.00078   0.00187
   D252       3.12655  -0.00006  -0.00299   0.00000  -0.00301   3.12354
         Item               Value     Threshold  Converged?
 Maximum Force            0.009993     0.000450     NO 
 RMS     Force            0.001655     0.000300     NO 
 Maximum Displacement     0.926960     0.001800     NO 
 RMS     Displacement     0.250818     0.001200     NO 
 Predicted change in Energy=-8.767840D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.860938   -2.646274    0.463625
      2          6           0       -9.476052   -1.448951   -0.409245
      3          6           0      -10.361312   -0.231922   -0.116223
      4          6           0       -8.036689   -1.074966   -0.254993
      5          7           0       -7.291654   -0.491644   -1.164060
      6          6           0       -5.971300   -0.242146   -0.702195
      7          6           0       -5.022365    0.425664   -1.658369
      8          7           0       -4.758455    1.824948   -1.274746
      9          6           0       -5.769208    2.836823   -1.667612
     10          6           0       -3.733807    2.238149   -0.407452
     11          8           0       -3.585011    3.420595   -0.111315
     12          7           0       -2.890110    1.240248    0.135171
     13          6           0       -1.625664    1.668613    0.768824
     14          6           0       -0.507281    1.503341   -0.287437
     15          8           0       -0.614667    0.735546   -1.234774
     16          7           0        0.626617    2.285748   -0.127065
     17          6           0        1.695616    2.298178   -1.157992
     18          6           0        1.823813    3.739005   -1.719302
     19          6           0        2.088209    4.787219   -0.676884
     20          6           0        1.015139    5.449030   -0.057681
     21          6           0        1.260400    6.424809    0.910803
     22          6           0        2.572896    6.749927    1.268201
     23          6           0        3.642171    6.098191    0.647292
     24          6           0        3.404550    5.121171   -0.323373
     25          6           0        3.049895    1.804343   -0.606866
     26          6           0        3.032090    0.322444   -0.222227
     27          8           0        2.240819    0.216948    0.974761
     28          6           0        4.443533   -0.204904    0.190273
     29          6           0        5.472208   -0.033812   -0.946615
     30          6           0        6.851556   -0.447081   -0.516399
     31          6           0        7.331930   -1.727226   -0.829877
     32          6           0        8.614889   -2.107833   -0.426925
     33          6           0        9.422731   -1.218698    0.287383
     34          6           0        8.943824    0.057901    0.599161
     35          6           0        7.661697    0.446080    0.200393
     36          7           0        4.323231   -1.635623    0.587710
     37          6           0        3.947773   -2.609200   -0.314653
     38          8           0        3.583171   -2.493407   -1.464593
     39          8           0        4.038630   -3.849487    0.336601
     40          6           0        3.354477   -4.956272   -0.324327
     41          6           0        1.928350   -4.952689    0.065154
     42          6           0        1.283806   -4.221187    1.024874
     43          7           0       -0.103406   -4.473758    1.146124
     44          6           0       -0.516314   -5.383241    0.301258
     45         16           0        0.788154   -6.005249   -0.732610
     46          6           0       -1.381334    0.852640    2.063920
     47          6           0       -1.083668   -0.622697    1.776620
     48          6           0       -0.281011    1.513811    2.897541
     49          6           0       -5.716345   -0.648333    0.576543
     50         16           0       -7.144488   -1.363986    1.259179
     51          1           0      -10.942579   -2.830600    0.416579
     52          1           0       -9.356069   -3.563837    0.138478
     53          1           0       -9.624634   -2.497821    1.525048
     54          1           0       -9.632146   -1.754409   -1.484898
     55          1           0      -10.459914   -0.046099    0.961013
     56          1           0       -9.956204    0.682341   -0.568701
     57          1           0      -11.373024   -0.376556   -0.513350
     58          1           0       -4.064302   -0.146301   -1.720579
     59          1           0       -5.445810    0.405170   -2.696207
     60          1           0       -6.214966    2.578213   -2.639055
     61          1           0       -5.292435    3.833929   -1.741078
     62          1           0       -6.573319    2.909877   -0.914131
     63          1           0       -2.910780    0.283091   -0.204465
     64          1           0       -1.730152    2.762234    1.043775
     65          1           0        0.793094    2.837215    0.707506
     66          1           0        1.380826    1.618151   -1.999144
     67          1           0        0.884008    3.977723   -2.267739
     68          1           0        2.611078    3.759270   -2.498308
     69          1           0       -0.010469    5.205786   -0.336517
     70          1           0        0.424349    6.937046    1.386927
     71          1           0        2.761727    7.511011    2.022345
     72          1           0        4.666125    6.353263    0.915954
     73          1           0        4.241559    4.628922   -0.811444
     74          1           0        3.365626    2.423899    0.255179
     75          1           0        3.810493    1.955920   -1.403295
     76          1           0        2.589186   -0.301838   -1.030094
     77          1           0        1.597518   -0.517305    0.895328
     78          1           0        4.786594    0.349684    1.104634
     79          1           0        5.143153   -0.609157   -1.840970
     80          1           0        5.481646    1.027830   -1.276411
     81          1           0        6.708442   -2.423022   -1.387129
     82          1           0        8.983528   -3.103100   -0.672950
     83          1           0       10.421847   -1.516641    0.599398
     84          1           0        9.572388    0.752659    1.153719
     85          1           0        7.300267    1.440925    0.447890
     86          1           0        4.627403   -1.897981    1.521320
     87          1           0        3.910808   -5.825115    0.101437
     88          1           0        3.515429   -4.875093   -1.417995
     89          1           0        1.722254   -3.484340    1.690059
     90          1           0       -1.533011   -5.748947    0.202332
     91          1           0       -2.332124    0.917691    2.658391
     92          1           0       -0.945932   -0.834950    0.707357
     93          1           0       -0.169029   -0.965608    2.275100
     94          1           0       -1.891964   -1.273996    2.126436
     95          1           0       -0.319517    1.165155    3.936089
     96          1           0        0.726363    1.283730    2.522983
     97          1           0       -0.377731    2.603597    2.919557
     98          1           0       -4.804925   -0.554281    1.145840
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0642617      0.0268720      0.0200915
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3505.9365600773 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.236630770515     A.U. after   19 cycles
             Convg  =    0.6901D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000401607   -0.000842307    0.000978901
      2        6           0.000806122    0.002844118    0.000971899
      3        6           0.000936799   -0.000956374    0.001217005
      4        6           0.000212408   -0.000119451   -0.000153485
      5        7          -0.002164127   -0.000654409   -0.000402886
      6        6           0.001776425    0.001628020    0.001312238
      7        6           0.000039716   -0.000181056    0.001067772
      8        7          -0.002849593    0.000352838   -0.005567631
      9        6           0.001909178   -0.001478686    0.002205820
     10        6           0.000522068    0.000384455    0.000636938
     11        8          -0.000291497   -0.000158856   -0.000592620
     12        7           0.005303530   -0.003239766    0.005197706
     13        6          -0.000767869    0.000082454   -0.006376051
     14        6          -0.001799006   -0.002394999    0.004677378
     15        8           0.000320380    0.002453395   -0.000263074
     16        7           0.000154052    0.001787911   -0.002853361
     17        6           0.000420935   -0.002821991   -0.000053579
     18        6           0.000434430    0.002410303   -0.001019431
     19        6          -0.000079196    0.000024686   -0.000187463
     20        6          -0.000457783   -0.000163163    0.000313069
     21        6           0.000602686   -0.000215911    0.000031258
     22        6          -0.000150560   -0.000383093   -0.000004177
     23        6          -0.000648265    0.000032958   -0.000031373
     24        6           0.000351783   -0.000035168   -0.000196608
     25        6          -0.000611525    0.001021183   -0.001430794
     26        6           0.000704206   -0.001446726    0.000592837
     27        8           0.001057848   -0.001523514    0.002044416
     28        6          -0.002181922    0.001516710   -0.000268153
     29        6           0.001147663   -0.001509338   -0.000526405
     30        6           0.000837552    0.000692364   -0.000479504
     31        6          -0.000699912   -0.001027028    0.000054170
     32        6           0.000005930    0.001124997    0.000215023
     33        6          -0.000249086   -0.000685936   -0.000000572
     34        6           0.000102545    0.000045657   -0.000043912
     35        6          -0.001065145   -0.000578774    0.000691735
     36        7           0.001942831   -0.000065908   -0.001566439
     37        6          -0.001347597   -0.001377797    0.004868163
     38        8          -0.000045771    0.001657296   -0.002525357
     39        8           0.000973954    0.001190965   -0.002348296
     40        6          -0.001892703   -0.003721308    0.002757787
     41        6           0.001077938    0.000645143    0.000629757
     42        6           0.002081318    0.002191937    0.000306416
     43        7          -0.001755293   -0.001423659   -0.000535186
     44        6           0.000669112    0.001004444    0.000063124
     45       16          -0.000172528   -0.000533029   -0.000231590
     46        6          -0.000422568    0.000836623    0.000984604
     47        6          -0.001512070   -0.000349632    0.000443002
     48        6          -0.001426230   -0.000124537   -0.000215334
     49        6           0.000080979   -0.000529630    0.000154178
     50       16          -0.000615611   -0.000818647    0.000237699
     51        1          -0.000645606    0.000570618   -0.000361909
     52        1          -0.000110211   -0.000238694   -0.000092335
     53        1           0.000377109    0.000033094   -0.000411368
     54        1           0.000173783   -0.001022114   -0.001185735
     55        1          -0.000693720   -0.000051088   -0.000438238
     56        1           0.000009560    0.000459281   -0.000451593
     57        1          -0.000392504   -0.000111996   -0.000013468
     58        1           0.000192551    0.000045276    0.000147089
     59        1           0.000473116   -0.000446535   -0.000132728
     60        1          -0.000187318    0.000107872   -0.000382836
     61        1          -0.000452525    0.000355232   -0.000119025
     62        1           0.000042381    0.000836008   -0.000039396
     63        1          -0.002769458    0.001990986   -0.001824999
     64        1          -0.000630372    0.000161274   -0.000301552
     65        1           0.000154120   -0.000762141    0.000986501
     66        1           0.000691409    0.001285464   -0.000177591
     67        1          -0.000031435   -0.000512406   -0.000035217
     68        1          -0.000471046    0.000091201   -0.000067627
     69        1           0.000078091   -0.000014739   -0.000026862
     70        1          -0.000115086    0.000108942   -0.000005939
     71        1           0.000119339    0.000119680    0.000012660
     72        1           0.000174399   -0.000189481    0.000030748
     73        1          -0.000230791   -0.000061894    0.000162365
     74        1           0.000905851    0.000099209    0.001150404
     75        1          -0.000521455   -0.002131021    0.000364528
     76        1           0.000110531    0.001048335    0.000257072
     77        1           0.000656412   -0.000059759   -0.000646345
     78        1           0.000642918   -0.000032388   -0.000147596
     79        1          -0.000269766    0.000658296    0.000269762
     80        1          -0.000015081    0.000585192   -0.000178326
     81        1           0.000187241    0.000605925    0.000000872
     82        1          -0.000111176   -0.000248540   -0.000003336
     83        1           0.000137691    0.000178980   -0.000044589
     84        1           0.000014993   -0.000117228   -0.000016421
     85        1           0.000361658    0.000140748   -0.000199379
     86        1          -0.000781396   -0.000507095    0.000683048
     87        1           0.000994943    0.000433946   -0.001748029
     88        1           0.000155501    0.001211185   -0.000605561
     89        1          -0.000582433   -0.000235356    0.000113934
     90        1          -0.000632719   -0.000597955   -0.000076794
     91        1           0.000213842    0.001078656    0.000163867
     92        1           0.000454595    0.000011586   -0.000053171
     93        1           0.000630678   -0.000223140    0.000689614
     94        1           0.000093375    0.000095974   -0.000022312
     95        1          -0.000320307    0.000063783    0.000311167
     96        1          -0.001090847    0.001004396   -0.000326879
     97        1           0.000835171   -0.000898912    0.000483133
     98        1           0.000505856    0.000513580   -0.000469224
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006376051 RMS     0.001223171

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005723264 RMS     0.000883949
 Search for a local minimum.
 Step number   9 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    6    8    7    9
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00313   0.00322   0.00402   0.00481   0.00583
     Eigenvalues ---    0.00594   0.00638   0.00658   0.00719   0.00801
     Eigenvalues ---    0.00869   0.00899   0.00922   0.00936   0.00986
     Eigenvalues ---    0.01032   0.01082   0.01146   0.01180   0.01226
     Eigenvalues ---    0.01245   0.01268   0.01315   0.01361   0.01394
     Eigenvalues ---    0.01407   0.01420   0.01436   0.01479   0.01560
     Eigenvalues ---    0.01567   0.01599   0.01616   0.01743   0.01750
     Eigenvalues ---    0.01923   0.01937   0.01970   0.01982   0.02074
     Eigenvalues ---    0.02132   0.02178   0.02194   0.02203   0.02218
     Eigenvalues ---    0.02220   0.02258   0.02268   0.02289   0.02328
     Eigenvalues ---    0.02374   0.02407   0.02408   0.02414   0.02448
     Eigenvalues ---    0.02483   0.02485   0.02527   0.02528   0.02614
     Eigenvalues ---    0.02700   0.02741   0.03277   0.03948   0.04013
     Eigenvalues ---    0.04081   0.04232   0.04327   0.04363   0.04508
     Eigenvalues ---    0.04695   0.04793   0.04882   0.04903   0.05050
     Eigenvalues ---    0.05063   0.05141   0.05273   0.05365   0.05434
     Eigenvalues ---    0.05461   0.05497   0.05506   0.05528   0.05631
     Eigenvalues ---    0.05657   0.05736   0.05804   0.05811   0.05846
     Eigenvalues ---    0.05932   0.06137   0.06234   0.06354   0.06494
     Eigenvalues ---    0.06911   0.06980   0.07270   0.07342   0.07397
     Eigenvalues ---    0.07899   0.08669   0.09444   0.09831   0.10006
     Eigenvalues ---    0.11982   0.12495   0.12890   0.13134   0.13265
     Eigenvalues ---    0.13936   0.14501   0.14965   0.15933   0.15943
     Eigenvalues ---    0.15992   0.15997   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16004   0.16019
     Eigenvalues ---    0.16053   0.16079   0.16165   0.16283   0.16810
     Eigenvalues ---    0.16979   0.16990   0.17186   0.17515   0.17909
     Eigenvalues ---    0.18178   0.18224   0.18936   0.19064   0.20773
     Eigenvalues ---    0.21301   0.21839   0.21874   0.21982   0.21994
     Eigenvalues ---    0.22000   0.22000   0.22003   0.22034   0.22037
     Eigenvalues ---    0.22183   0.22447   0.23426   0.23484   0.23542
     Eigenvalues ---    0.23662   0.23732   0.24229   0.24591   0.24785
     Eigenvalues ---    0.24802   0.24993   0.24997   0.24997   0.24999
     Eigenvalues ---    0.24999   0.25000   0.25003   0.25028   0.25113
     Eigenvalues ---    0.25490   0.28947   0.29335   0.29534   0.29762
     Eigenvalues ---    0.29888   0.29919   0.30122   0.30246   0.30336
     Eigenvalues ---    0.30709   0.30958   0.31154   0.31329   0.31419
     Eigenvalues ---    0.31433   0.31505   0.31526   0.31570   0.31676
     Eigenvalues ---    0.31992   0.32136   0.32387   0.32435   0.32525
     Eigenvalues ---    0.32615   0.32722   0.32775   0.32813   0.32912
     Eigenvalues ---    0.32978   0.33011   0.33059   0.33061   0.33139
     Eigenvalues ---    0.33184   0.33239   0.33376   0.33458   0.33565
     Eigenvalues ---    0.33629   0.33679   0.33722   0.33837   0.33979
     Eigenvalues ---    0.33993   0.34147   0.34184   0.34232   0.34248
     Eigenvalues ---    0.34333   0.34356   0.34383   0.34475   0.34504
     Eigenvalues ---    0.34623   0.34669   0.34725   0.35834   0.36083
     Eigenvalues ---    0.36252   0.36312   0.36376   0.36633   0.36846
     Eigenvalues ---    0.36953   0.37631   0.38522   0.39236   0.39443
     Eigenvalues ---    0.41407   0.41796   0.41978   0.42533   0.42920
     Eigenvalues ---    0.43037   0.43319   0.44123   0.44244   0.44974
     Eigenvalues ---    0.45107   0.45875   0.47564   0.48216   0.48371
     Eigenvalues ---    0.48512   0.48605   0.48953   0.49334   0.49961
     Eigenvalues ---    0.50397   0.50931   0.51239   0.51397   0.56295
     Eigenvalues ---    0.58306   0.59009   0.62235   0.65158   0.73257
     Eigenvalues ---    0.75935   0.78063   0.840471000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-3.34534278D-03 EMin= 3.13053815D-03
 Quartic linear search produced a step of -0.00274.
 Iteration  1 RMS(Cart)=  0.15264078 RMS(Int)=  0.00228172
 Iteration  2 RMS(Cart)=  0.00733679 RMS(Int)=  0.00019948
 Iteration  3 RMS(Cart)=  0.00001093 RMS(Int)=  0.00019944
 Iteration  4 RMS(Cart)=  0.00000003 RMS(Int)=  0.00019944
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89296  -0.00003   0.00000   0.00020   0.00020   2.89316
    R2        2.07538  -0.00033   0.00000  -0.00089  -0.00089   2.07449
    R3        2.07228  -0.00011   0.00000  -0.00008  -0.00008   2.07219
    R4        2.07397  -0.00028   0.00000   0.00061   0.00061   2.07458
    R5        2.89733   0.00011  -0.00001  -0.00042  -0.00044   2.89689
    R6        2.82539   0.00111  -0.00001   0.00171   0.00171   2.82710
    R7        2.13355  -0.00020   0.00001   0.00028   0.00029   2.13384
    R8        2.07413  -0.00048   0.00001   0.00012   0.00012   2.07426
    R9        2.07416   0.00016  -0.00001   0.00050   0.00049   2.07465
   R10        2.07198  -0.00037   0.00000  -0.00052  -0.00051   2.07147
   R11        2.47961   0.00095  -0.00002  -0.00023  -0.00025   2.47936
   R12        3.36577   0.00072   0.00001   0.00527   0.00527   3.37104
   R13        2.68508  -0.00139   0.00003  -0.00041  -0.00038   2.68470
   R14        2.84133   0.00119  -0.00001   0.00263   0.00262   2.84395
   R15        2.58082  -0.00038  -0.00002  -0.00189  -0.00191   2.57890
   R16        2.78683   0.00077  -0.00001   0.00137   0.00136   2.78818
   R17        2.11185  -0.00013   0.00001   0.00005   0.00006   2.11191
   R18        2.11854  -0.00014   0.00000  -0.00012  -0.00012   2.11842
   R19        2.80282  -0.00008   0.00000  -0.00023  -0.00023   2.80259
   R20        2.65427   0.00072   0.00000   0.00099   0.00099   2.65525
   R21        2.07808   0.00027  -0.00001   0.00044   0.00044   2.07852
   R22        2.09319  -0.00010   0.00000   0.00019   0.00019   2.09338
   R23        2.08698  -0.00018   0.00000  -0.00015  -0.00015   2.08684
   R24        2.32061   0.00035   0.00000   0.00067   0.00067   2.32128
   R25        2.67386   0.00141   0.00001   0.00398   0.00399   2.67785
   R26        2.79260   0.00092  -0.00001   0.00261   0.00261   2.79521
   R27        1.91966   0.00189  -0.00001   0.00604   0.00604   1.92569
   R28        2.92376  -0.00264  -0.00001  -0.00424  -0.00425   2.91950
   R29        2.92925   0.00239  -0.00003   0.00614   0.00612   2.93536
   R30        2.14009  -0.00023   0.00000  -0.00109  -0.00109   2.13900
   R31        2.31327   0.00232  -0.00001   0.00359   0.00359   2.31685
   R32        2.62094  -0.00052  -0.00001  -0.00192  -0.00193   2.61901
   R33        2.80656  -0.00258   0.00000  -0.00138  -0.00137   2.80519
   R34        1.91632   0.00102  -0.00001   0.00288   0.00287   1.91918
   R35        2.93211   0.00029   0.00001  -0.00084  -0.00083   2.93128
   R36        2.91636  -0.00035  -0.00001   0.00067   0.00066   2.91702
   R37        2.12883   0.00127  -0.00002   0.00186   0.00184   2.13067
   R38        2.83792   0.00072   0.00000   0.00073   0.00073   2.83865
   R39        2.10516  -0.00022   0.00001  -0.00023  -0.00023   2.10493
   R40        2.09329   0.00044   0.00000   0.00153   0.00153   2.09482
   R41        2.65430   0.00002   0.00000  -0.00030  -0.00030   2.65399
   R42        2.65185   0.00041   0.00000   0.00102   0.00102   2.65287
   R43        2.63903   0.00020   0.00000   0.00064   0.00064   2.63967
   R44        2.06040   0.00005   0.00000  -0.00009  -0.00009   2.06031
   R45        2.64297   0.00021  -0.00001  -0.00007  -0.00007   2.64290
   R46        2.05977  -0.00015   0.00000  -0.00030  -0.00030   2.05947
   R47        2.64132   0.00026   0.00000   0.00072   0.00072   2.64204
   R48        2.05593  -0.00010   0.00000   0.00009   0.00009   2.05602
   R49        2.64104   0.00032   0.00000   0.00000   0.00000   2.64104
   R50        2.05774  -0.00002   0.00000  -0.00040  -0.00039   2.05735
   R51        2.05373   0.00019   0.00000  -0.00017  -0.00017   2.05356
   R52        2.89337   0.00035   0.00000   0.00213   0.00213   2.89550
   R53        2.09296   0.00020   0.00000   0.00029   0.00029   2.09325
   R54        2.10073  -0.00008   0.00000   0.00010   0.00010   2.10082
   R55        2.71885   0.00256   0.00000   0.00345   0.00346   2.72231
   R56        2.95210  -0.00022  -0.00002  -0.00210  -0.00212   2.94999
   R57        2.10307   0.00098  -0.00001   0.00176   0.00174   2.10482
   R58        1.85084  -0.00003   0.00000   0.00056   0.00056   1.85140
   R59        2.91530  -0.00015   0.00001   0.00008   0.00009   2.91539
   R60        2.81524  -0.00031   0.00000  -0.00036  -0.00035   2.81489
   R61        2.12232  -0.00002   0.00000  -0.00009  -0.00010   2.12222
   R62        2.83992   0.00045   0.00000   0.00051   0.00051   2.84043
   R63        2.10361   0.00056  -0.00001   0.00026   0.00025   2.10386
   R64        2.10086  -0.00015   0.00000   0.00052   0.00053   2.10139
   R65        2.65087   0.00044   0.00000   0.00134   0.00134   2.65222
   R66        2.65092   0.00062  -0.00001   0.00041   0.00040   2.65131
   R67        2.64103   0.00015   0.00000  -0.00059  -0.00059   2.64044
   R68        2.05572   0.00063  -0.00001   0.00123   0.00122   2.05695
   R69        2.64116   0.00055   0.00000   0.00151   0.00151   2.64267
   R70        2.05883  -0.00011   0.00000  -0.00034  -0.00034   2.05849
   R71        2.64309   0.00004  -0.00001  -0.00068  -0.00069   2.64240
   R72        2.05655  -0.00019   0.00000   0.00004   0.00004   2.05659
   R73        2.64126  -0.00010   0.00001   0.00043   0.00043   2.64169
   R74        2.05739   0.00011   0.00000   0.00010   0.00010   2.05749
   R75        2.05416   0.00019   0.00000   0.00060   0.00060   2.05476
   R76        2.60692   0.00043   0.00001  -0.00053  -0.00053   2.60639
   R77        1.92063   0.00095  -0.00001   0.00278   0.00277   1.92340
   R78        2.29016   0.00299  -0.00001   0.00405   0.00404   2.29420
   R79        2.65283  -0.00165   0.00003  -0.00232  -0.00229   2.65054
   R80        2.75788  -0.00092   0.00003   0.00062   0.00064   2.75852
   R81        2.79369   0.00087   0.00000   0.00245   0.00244   2.79613
   R82        2.10911  -0.00189   0.00002  -0.00524  -0.00522   2.10389
   R83        2.09462   0.00104  -0.00001   0.00166   0.00164   2.09626
   R84        2.58526  -0.00081  -0.00003  -0.00239  -0.00242   2.58285
   R85        3.29721  -0.00053   0.00002   0.00195   0.00197   3.29918
   R86        2.67438  -0.00208   0.00003  -0.00106  -0.00103   2.67335
   R87        2.05072   0.00029  -0.00001   0.00171   0.00170   2.05243
   R88        2.47218   0.00038  -0.00002  -0.00117  -0.00119   2.47099
   R89        3.35788   0.00001   0.00001   0.00439   0.00439   3.36227
   R90        2.05033  -0.00087   0.00001  -0.00187  -0.00186   2.04847
   R91        2.89552   0.00031  -0.00001  -0.00037  -0.00038   2.89513
   R92        2.89244   0.00093   0.00000   0.00259   0.00259   2.89503
   R93        2.12258   0.00015  -0.00001   0.00057   0.00056   2.12315
   R94        2.07642  -0.00013   0.00000   0.00064   0.00064   2.07706
   R95        2.07236  -0.00003   0.00000   0.00019   0.00019   2.07255
   R96        2.07001   0.00009   0.00000   0.00075   0.00074   2.07075
   R97        2.07149   0.00022   0.00000   0.00115   0.00115   2.07264
   R98        2.07701   0.00119   0.00000   0.00080   0.00081   2.07782
   R99        2.06791   0.00060  -0.00001   0.00151   0.00150   2.06941
   R100       3.28277  -0.00055   0.00002   0.00135   0.00136   3.28413
   R101       2.03848  -0.00084   0.00001  -0.00075  -0.00074   2.03774
    A1        1.93313  -0.00020   0.00000  -0.00135  -0.00134   1.93179
    A2        1.94938  -0.00017   0.00001  -0.00162  -0.00161   1.94777
    A3        1.97306  -0.00014   0.00000  -0.00044  -0.00044   1.97262
    A4        1.87580  -0.00001   0.00002   0.00108   0.00109   1.87689
    A5        1.85062   0.00032  -0.00002   0.00158   0.00156   1.85218
    A6        1.87634   0.00025  -0.00001   0.00104   0.00103   1.87737
    A7        1.94625  -0.00006   0.00000   0.00069   0.00068   1.94692
    A8        1.95934  -0.00003   0.00001  -0.00178  -0.00177   1.95758
    A9        1.87220   0.00059  -0.00004   0.00732   0.00729   1.87948
   A10        1.91515  -0.00017   0.00001  -0.00310  -0.00309   1.91206
   A11        1.89338  -0.00017   0.00001  -0.00151  -0.00151   1.89186
   A12        1.87451  -0.00014   0.00001  -0.00148  -0.00147   1.87304
   A13        1.95394  -0.00010   0.00000   0.00085   0.00085   1.95479
   A14        1.94905  -0.00022   0.00001  -0.00254  -0.00253   1.94652
   A15        1.93782  -0.00009   0.00000   0.00007   0.00007   1.93789
   A16        1.87207   0.00015   0.00000   0.00050   0.00050   1.87256
   A17        1.87017   0.00036  -0.00003   0.00066   0.00064   1.87081
   A18        1.87667  -0.00008   0.00002   0.00058   0.00060   1.87727
   A19        2.19733   0.00043   0.00001   0.00514   0.00515   2.20248
   A20        2.12865  -0.00004  -0.00001  -0.00368  -0.00369   2.12495
   A21        1.95702  -0.00038   0.00000  -0.00141  -0.00142   1.95560
   A22        1.96112  -0.00008   0.00001   0.00076   0.00077   1.96189
   A23        2.04625   0.00006  -0.00001  -0.00285  -0.00286   2.04339
   A24        2.01043   0.00044  -0.00001   0.00113   0.00112   2.01155
   A25        2.22650  -0.00050   0.00002   0.00172   0.00174   2.22824
   A26        1.94867   0.00083   0.00001   0.00477   0.00478   1.95345
   A27        1.92745  -0.00035   0.00001  -0.00181  -0.00179   1.92566
   A28        1.92007  -0.00023   0.00001  -0.00060  -0.00059   1.91948
   A29        1.92483  -0.00024  -0.00001  -0.00113  -0.00115   1.92369
   A30        1.90260  -0.00039   0.00000  -0.00210  -0.00211   1.90050
   A31        1.83684   0.00033  -0.00002   0.00058   0.00056   1.83740
   A32        2.04482  -0.00011  -0.00001  -0.00403  -0.00493   2.03989
   A33        2.17768  -0.00075   0.00001  -0.00700  -0.00784   2.16983
   A34        2.04879   0.00070  -0.00001  -0.00017  -0.00111   2.04768
   A35        1.92814  -0.00016   0.00000  -0.00308  -0.00308   1.92507
   A36        1.91598  -0.00037   0.00000  -0.00226  -0.00226   1.91372
   A37        1.93970   0.00026   0.00000   0.00399   0.00399   1.94369
   A38        1.90454  -0.00015   0.00002  -0.00160  -0.00160   1.90294
   A39        1.89982  -0.00017   0.00001  -0.00030  -0.00029   1.89953
   A40        1.87455   0.00061  -0.00003   0.00335   0.00332   1.87787
   A41        2.11831  -0.00048   0.00001  -0.00206  -0.00206   2.11625
   A42        2.05365   0.00072  -0.00001   0.00308   0.00306   2.05672
   A43        2.11106  -0.00024   0.00000  -0.00093  -0.00093   2.11012
   A44        2.06031  -0.00007   0.00000  -0.01025  -0.01251   2.04780
   A45        2.12253   0.00010  -0.00002  -0.01631  -0.01885   2.10368
   A46        2.01961  -0.00067  -0.00001  -0.02048  -0.02288   1.99672
   A47        1.87004   0.00415   0.00001   0.00878   0.00866   1.87870
   A48        1.91828  -0.00026   0.00003  -0.00625  -0.00622   1.91205
   A49        1.88082  -0.00119   0.00002   0.00062   0.00060   1.88142
   A50        1.98256  -0.00540  -0.00003  -0.01777  -0.01778   1.96477
   A51        1.91304   0.00041  -0.00001   0.00827   0.00826   1.92130
   A52        1.89656   0.00242  -0.00001   0.00711   0.00714   1.90370
   A53        2.13166   0.00092   0.00001  -0.00443  -0.00474   2.12693
   A54        2.03954  -0.00376  -0.00003  -0.00166  -0.00202   2.03752
   A55        2.11184   0.00285   0.00002   0.00534   0.00502   2.11686
   A56        2.10938   0.00109  -0.00001   0.00302   0.00272   2.11209
   A57        2.13667  -0.00086   0.00002  -0.00515  -0.00542   2.13125
   A58        2.03595  -0.00032  -0.00001   0.00010  -0.00021   2.03574
   A59        1.89479   0.00438   0.00000   0.01166   0.01170   1.90649
   A60        1.96175  -0.00572  -0.00005  -0.01540  -0.01549   1.94626
   A61        1.88822  -0.00017   0.00001  -0.00513  -0.00514   1.88308
   A62        1.93246   0.00141   0.00001   0.00614   0.00618   1.93864
   A63        1.88969  -0.00171   0.00003  -0.00206  -0.00204   1.88765
   A64        1.89515   0.00185   0.00000   0.00484   0.00478   1.89994
   A65        1.99500  -0.00031   0.00002  -0.00175  -0.00174   1.99326
   A66        1.88324   0.00044  -0.00001   0.00509   0.00508   1.88832
   A67        1.90722  -0.00005   0.00000  -0.00230  -0.00231   1.90492
   A68        1.91844  -0.00003   0.00000   0.00117   0.00117   1.91961
   A69        1.92864  -0.00003   0.00001  -0.00227  -0.00227   1.92637
   A70        1.82289   0.00003  -0.00001   0.00042   0.00041   1.82330
   A71        2.09483   0.00020   0.00000   0.00126   0.00126   2.09609
   A72        2.10147   0.00016  -0.00001   0.00028   0.00028   2.10175
   A73        2.08685  -0.00037   0.00001  -0.00153  -0.00152   2.08533
   A74        2.09529   0.00034   0.00000   0.00125   0.00124   2.09653
   A75        2.09529  -0.00011   0.00000   0.00008   0.00008   2.09537
   A76        2.09259  -0.00023   0.00000  -0.00133  -0.00133   2.09126
   A77        2.09955  -0.00007   0.00000  -0.00032  -0.00032   2.09923
   A78        2.09046  -0.00003   0.00000  -0.00050  -0.00050   2.08996
   A79        2.09317   0.00010   0.00000   0.00083   0.00082   2.09399
   A80        2.08979  -0.00003   0.00000  -0.00013  -0.00013   2.08966
   A81        2.09744  -0.00012   0.00000  -0.00032  -0.00032   2.09712
   A82        2.09594   0.00015   0.00000   0.00046   0.00046   2.09640
   A83        2.09952  -0.00009   0.00000  -0.00023  -0.00023   2.09928
   A84        2.09503  -0.00022   0.00000  -0.00137  -0.00137   2.09366
   A85        2.08863   0.00031  -0.00001   0.00161   0.00161   2.09024
   A86        2.09534   0.00021  -0.00001   0.00098   0.00097   2.09631
   A87        2.09615   0.00005   0.00000   0.00045   0.00045   2.09660
   A88        2.09163  -0.00026   0.00001  -0.00140  -0.00140   2.09024
   A89        1.97058  -0.00340  -0.00003  -0.00979  -0.00987   1.96071
   A90        1.92742   0.00134   0.00000  -0.00030  -0.00042   1.92700
   A91        1.87647   0.00124  -0.00001   0.01076   0.01077   1.88724
   A92        1.92752  -0.00054   0.00001  -0.00861  -0.00866   1.91886
   A93        1.89643   0.00235   0.00001   0.01059   0.01065   1.90707
   A94        1.86117  -0.00077   0.00002  -0.00136  -0.00132   1.85984
   A95        1.86123  -0.00134  -0.00003  -0.00265  -0.00268   1.85855
   A96        1.96335   0.00048   0.00001   0.00059   0.00060   1.96395
   A97        1.94463   0.00048   0.00000   0.00203   0.00203   1.94666
   A98        1.82602   0.00084   0.00000   0.00316   0.00316   1.82919
   A99        1.92189   0.00031   0.00000   0.00024   0.00024   1.92213
   A100       1.94109  -0.00077   0.00002  -0.00329  -0.00327   1.93782
   A101       1.92701   0.00008   0.00000  -0.00004  -0.00004   1.92696
   A102       1.95026  -0.00002   0.00000  -0.00045  -0.00045   1.94982
   A103       1.89830  -0.00039   0.00000  -0.00322  -0.00322   1.89507
   A104       1.90104  -0.00033   0.00003  -0.00389  -0.00386   1.89717
   A105       1.93580   0.00053  -0.00001   0.00423   0.00422   1.94002
   A106       1.91935   0.00017  -0.00001   0.00212   0.00211   1.92145
   A107       1.85637   0.00003   0.00000   0.00109   0.00107   1.85744
   A108       1.95040   0.00004   0.00000  -0.00084  -0.00084   1.94956
   A109       1.91522  -0.00002   0.00000  -0.00021  -0.00021   1.91501
   A110       1.90729   0.00016  -0.00002   0.00163   0.00161   1.90890
   A111       1.93818  -0.00019   0.00002  -0.00147  -0.00146   1.93672
   A112       1.91743   0.00005   0.00000   0.00183   0.00183   1.91926
   A113       1.83147  -0.00004   0.00000  -0.00087  -0.00087   1.83061
   A114       2.09588   0.00048  -0.00001   0.00131   0.00129   2.09718
   A115       2.09584   0.00008   0.00000   0.00090   0.00090   2.09674
   A116       2.09146  -0.00056   0.00001  -0.00220  -0.00219   2.08926
   A117       2.09261   0.00034  -0.00001   0.00164   0.00163   2.09424
   A118       2.09659  -0.00018   0.00000  -0.00093  -0.00092   2.09566
   A119       2.09399  -0.00016   0.00001  -0.00071  -0.00070   2.09328
   A120       2.09984  -0.00018   0.00000  -0.00066  -0.00066   2.09918
   A121       2.08781   0.00034  -0.00001   0.00187   0.00187   2.08968
   A122       2.09554  -0.00017   0.00000  -0.00121  -0.00121   2.09433
   A123       2.09055   0.00005   0.00000   0.00000   0.00000   2.09055
   A124       2.09787  -0.00017   0.00000  -0.00126  -0.00126   2.09662
   A125       2.09476   0.00011   0.00000   0.00126   0.00125   2.09602
   A126       2.09900  -0.00003   0.00000  -0.00015  -0.00015   2.09885
   A127       2.09244   0.00007   0.00000   0.00102   0.00102   2.09346
   A128       2.09174  -0.00004   0.00000  -0.00087  -0.00087   2.09087
   A129       2.09292   0.00037  -0.00001   0.00137   0.00137   2.09428
   A130       2.10253  -0.00059   0.00002  -0.00228  -0.00226   2.10027
   A131       2.08774   0.00021  -0.00001   0.00091   0.00090   2.08863
   A132       2.12379   0.00015  -0.00001   0.00026   0.00022   2.12401
   A133       2.05873  -0.00013   0.00000  -0.00016  -0.00020   2.05852
   A134       2.09455  -0.00003   0.00001  -0.00166  -0.00169   2.09287
   A135       2.25896  -0.00073   0.00002  -0.00204  -0.00206   2.25690
   A136       1.87806   0.00109  -0.00002   0.00631   0.00625   1.88431
   A137       2.14610  -0.00036   0.00000  -0.00445  -0.00449   2.14160
   A138       2.01485   0.00067  -0.00003  -0.00073  -0.00076   2.01408
   A139       1.90824   0.00060  -0.00004  -0.00401  -0.00406   1.90418
   A140       1.75579   0.00053  -0.00003   0.00903   0.00900   1.76479
   A141       1.89994   0.00021  -0.00001   0.00366   0.00363   1.90357
   A142       1.96301  -0.00011   0.00001   0.00090   0.00092   1.96393
   A143       1.98215  -0.00089   0.00003  -0.00654  -0.00651   1.97563
   A144       1.94017  -0.00011   0.00002  -0.00114  -0.00115   1.93902
   A145       2.26608  -0.00029   0.00001   0.00115   0.00114   2.26723
   A146       2.10420   0.00032  -0.00002  -0.00046  -0.00050   2.10371
   A147       1.91286  -0.00003   0.00001  -0.00060  -0.00060   1.91225
   A148       2.01140   0.00068  -0.00001   0.00215   0.00214   2.01354
   A149       2.21769  -0.00088   0.00003  -0.00070  -0.00067   2.21702
   A150       2.05409   0.00020  -0.00002  -0.00145  -0.00147   2.05262
   A151       1.95856  -0.00016   0.00001  -0.00002  -0.00001   1.95855
   A152       1.96861  -0.00020   0.00000  -0.00065  -0.00066   1.96795
   A153       2.20058  -0.00001   0.00002   0.00310   0.00312   2.20370
   A154       2.11399   0.00020  -0.00002  -0.00244  -0.00246   2.11153
   A155       1.57333  -0.00030   0.00000  -0.00088  -0.00088   1.57245
   A156       1.96148   0.00087  -0.00001   0.00350   0.00349   1.96497
   A157       1.91874   0.00041  -0.00004   0.00186   0.00182   1.92056
   A158       1.85280  -0.00026   0.00001   0.00055   0.00056   1.85336
   A159       1.95885  -0.00176   0.00001  -0.00499  -0.00498   1.95387
   A160       1.89594  -0.00040   0.00003  -0.00532  -0.00528   1.89065
   A161       1.87052   0.00123   0.00001   0.00466   0.00466   1.87517
   A162       1.97448  -0.00012   0.00001   0.00126   0.00125   1.97574
   A163       1.95830  -0.00005   0.00001   0.00234   0.00235   1.96064
   A164       1.94901  -0.00013   0.00001  -0.00207  -0.00206   1.94696
   A165       1.85187   0.00051  -0.00003   0.00429   0.00426   1.85612
   A166       1.86336  -0.00003  -0.00001  -0.00327  -0.00328   1.86009
   A167       1.85913  -0.00016   0.00001  -0.00275  -0.00274   1.85639
   A168       1.93195   0.00011   0.00000  -0.00178  -0.00177   1.93017
   A169       1.96368  -0.00139  -0.00001  -0.00094  -0.00096   1.96272
   A170       1.95800   0.00070  -0.00001   0.00337   0.00335   1.96136
   A171       1.86344   0.00037   0.00001  -0.00180  -0.00180   1.86164
   A172       1.86982  -0.00042   0.00002  -0.00143  -0.00140   1.86842
   A173       1.87165   0.00067  -0.00001   0.00242   0.00241   1.87406
   A174       1.91451   0.00023   0.00000   0.00024   0.00025   1.91476
   A175       2.24714  -0.00029   0.00001   0.00172   0.00173   2.24887
   A176       2.12133   0.00006  -0.00002  -0.00199  -0.00201   2.11932
   A177       1.58170  -0.00021   0.00000  -0.00072  -0.00072   1.58098
    D1        0.87560   0.00060  -0.00001   0.03317   0.03316   0.90876
    D2        3.03288   0.00031   0.00001   0.02830   0.02831   3.06119
    D3       -1.19513   0.00049   0.00001   0.03008   0.03008  -1.16505
    D4        2.96585   0.00034   0.00001   0.03255   0.03257   2.99842
    D5       -1.16005   0.00005   0.00004   0.02768   0.02772  -1.13234
    D6        0.89513   0.00022   0.00003   0.02946   0.02949   0.92461
    D7       -1.19844   0.00043   0.00001   0.03239   0.03240  -1.16604
    D8        0.95884   0.00014   0.00003   0.02752   0.02755   0.98638
    D9        3.01402   0.00031   0.00002   0.02930   0.02932   3.04333
   D10        0.82289   0.00010   0.00003   0.02904   0.02907   0.85196
   D11        2.92242   0.00007   0.00003   0.02850   0.02853   2.95095
   D12       -1.26645  -0.00024   0.00006   0.02757   0.02763  -1.23882
   D13       -1.35924   0.00031   0.00001   0.03311   0.03312  -1.32613
   D14        0.74028   0.00028   0.00001   0.03257   0.03258   0.77286
   D15        2.83460  -0.00002   0.00004   0.03164   0.03168   2.86628
   D16        2.88092   0.00067  -0.00002   0.03747   0.03745   2.91837
   D17       -1.30274   0.00065  -0.00001   0.03693   0.03691  -1.26582
   D18        0.79158   0.00034   0.00002   0.03601   0.03602   0.82760
   D19        2.65688   0.00004  -0.00002  -0.02255  -0.02258   2.63431
   D20       -0.50737   0.00009  -0.00003  -0.02015  -0.02019  -0.52756
   D21       -1.45174  -0.00019  -0.00001  -0.02524  -0.02525  -1.47699
   D22        1.66719  -0.00014  -0.00002  -0.02284  -0.02286   1.64433
   D23        0.60308  -0.00057   0.00001  -0.02956  -0.02955   0.57353
   D24       -2.56118  -0.00052   0.00000  -0.02716  -0.02716  -2.58834
   D25        3.11930   0.00009  -0.00001   0.00320   0.00320   3.12250
   D26       -0.00153   0.00004   0.00000   0.00104   0.00104  -0.00049
   D27       -3.12195  -0.00008   0.00001  -0.00232  -0.00231  -3.12426
   D28       -0.00018  -0.00002   0.00000  -0.00014  -0.00014  -0.00031
   D29       -3.14082  -0.00002  -0.00001  -0.00092  -0.00093   3.14143
   D30        0.00312  -0.00005   0.00000  -0.00175  -0.00175   0.00137
   D31        1.87634   0.00022   0.00002   0.04558   0.04561   1.92195
   D32       -2.25853   0.00025   0.00002   0.04619   0.04621  -2.21232
   D33       -0.23846   0.00032   0.00002   0.04548   0.04549  -0.19297
   D34       -1.26794   0.00026   0.00002   0.04653   0.04655  -1.22139
   D35        0.88038   0.00029   0.00001   0.04713   0.04715   0.92753
   D36        2.90044   0.00036   0.00001   0.04643   0.04643   2.94688
   D37       -0.00316   0.00003   0.00000   0.00159   0.00159  -0.00156
   D38       -3.12298   0.00004   0.00000   0.00319   0.00320  -3.11979
   D39        3.14108   0.00000   0.00001   0.00067   0.00067  -3.14144
   D40        0.02125   0.00001   0.00001   0.00226   0.00228   0.02352
   D41       -1.41656   0.00051   0.00001   0.03890   0.03881  -1.37774
   D42        1.55505  -0.00051  -0.00002  -0.04046  -0.04039   1.51467
   D43        2.71682   0.00054   0.00000   0.03869   0.03859   2.75541
   D44       -0.59475  -0.00047  -0.00004  -0.04068  -0.04061  -0.63537
   D45        0.70837   0.00050   0.00002   0.03982   0.03975   0.74811
   D46       -2.60321  -0.00052  -0.00001  -0.03954  -0.03945  -2.64266
   D47       -0.60591  -0.00088  -0.00002  -0.06066  -0.06073  -0.66664
   D48       -2.70708  -0.00035  -0.00004  -0.05526  -0.05536  -2.76244
   D49        1.50489  -0.00103  -0.00001  -0.06045  -0.06052   1.44437
   D50        2.69283   0.00019   0.00001   0.01336   0.01343   2.70625
   D51        0.59166   0.00073  -0.00002   0.01876   0.01880   0.61046
   D52       -1.47956   0.00005   0.00002   0.01357   0.01364  -1.46592
   D53       -3.11852   0.00026  -0.00002   0.01772   0.01768  -3.10083
   D54        0.00351   0.00039  -0.00003   0.02285   0.02280   0.02631
   D55       -0.14726  -0.00083  -0.00005  -0.06215  -0.06218  -0.20944
   D56        2.97477  -0.00070  -0.00007  -0.05702  -0.05707   2.91770
   D57        2.88423  -0.00074  -0.00006  -0.05581  -0.05568   2.82856
   D58        0.18156   0.00107   0.00003   0.07025   0.07009   0.25164
   D59       -0.27684  -0.00061  -0.00007  -0.05072  -0.05059  -0.32743
   D60       -2.97951   0.00119   0.00001   0.07535   0.07517  -2.90434
   D61       -1.69673  -0.00169  -0.00002  -0.00193  -0.00225  -1.69899
   D62        2.42465   0.00243   0.00000   0.01810   0.01784   2.44249
   D63        0.36066   0.00036  -0.00001   0.01269   0.01240   0.37306
   D64        1.03150  -0.00321  -0.00010  -0.11979  -0.11963   0.91187
   D65       -1.13030   0.00091  -0.00009  -0.09976  -0.09954  -1.22984
   D66        3.08890  -0.00116  -0.00010  -0.10517  -0.10499   2.98391
   D67       -0.39927  -0.00066  -0.00009  -0.01949  -0.01960  -0.41887
   D68        2.72464  -0.00024   0.00011  -0.06719  -0.06698   2.65766
   D69        1.72260  -0.00148  -0.00007  -0.03241  -0.03255   1.69005
   D70       -1.43667  -0.00106   0.00013  -0.08011  -0.07993  -1.51660
   D71       -2.43553  -0.00177  -0.00012  -0.02942  -0.02963  -2.46516
   D72        0.68838  -0.00135   0.00009  -0.07712  -0.07700   0.61137
   D73        1.19019   0.00066   0.00011   0.04361   0.04376   1.23396
   D74       -2.89771  -0.00069   0.00008   0.04110   0.04122  -2.85648
   D75       -0.88012   0.00082   0.00008   0.04779   0.04790  -0.83222
   D76       -0.90456  -0.00085   0.00010   0.04875   0.04881  -0.85575
   D77        1.29073  -0.00219   0.00007   0.04624   0.04627   1.33699
   D78       -2.97488  -0.00069   0.00007   0.05293   0.05295  -2.92193
   D79       -3.03875   0.00049   0.00014   0.04495   0.04509  -2.99366
   D80       -0.84347  -0.00085   0.00011   0.04244   0.04255  -0.80092
   D81        1.17411   0.00066   0.00011   0.04913   0.04923   1.22335
   D82       -3.03598  -0.00359  -0.00002  -0.00329  -0.00319  -3.03917
   D83        0.15961  -0.00161   0.00002   0.04322   0.04327   0.20288
   D84        0.08814  -0.00320   0.00018  -0.05052  -0.05038   0.03777
   D85       -2.99945  -0.00122   0.00022  -0.00401  -0.00392  -3.00337
   D86        2.06538   0.00028   0.00005   0.02557   0.02566   2.09105
   D87       -2.07403   0.00136   0.00003   0.03136   0.03136  -2.04267
   D88        0.01834   0.00002   0.00001   0.02450   0.02458   0.04292
   D89       -1.12720  -0.00161   0.00002  -0.01852  -0.01851  -1.14572
   D90        1.01657  -0.00054  -0.00001  -0.01273  -0.01281   1.00375
   D91        3.10894  -0.00187  -0.00002  -0.01959  -0.01960   3.08934
   D92        0.98131  -0.00118  -0.00002   0.03422   0.03421   1.01552
   D93       -1.15840  -0.00125  -0.00002   0.03011   0.03010  -1.12830
   D94       -3.13054  -0.00149   0.00000   0.02813   0.02815  -3.10240
   D95       -1.18005   0.00210   0.00003   0.04158   0.04158  -1.13847
   D96        2.96342   0.00202   0.00003   0.03747   0.03747   3.00090
   D97        0.99128   0.00179   0.00006   0.03549   0.03552   1.02680
   D98        3.02742   0.00006   0.00001   0.03334   0.03336   3.06077
   D99        0.88770  -0.00001   0.00001   0.02923   0.02925   0.91695
   D100      -1.08444  -0.00025   0.00003   0.02725   0.02730  -1.05715
   D101       1.16118  -0.00351   0.00005   0.00389   0.00395   1.16513
   D102      -1.00638  -0.00131   0.00006   0.02264   0.02271  -0.98367
   D103      -3.03048  -0.00181   0.00004   0.01832   0.01836  -3.01212
   D104      -2.99957  -0.00086   0.00002   0.01255   0.01256  -2.98702
   D105       1.11606   0.00134   0.00003   0.03130   0.03131   1.14737
   D106      -0.90805   0.00084   0.00002   0.02698   0.02696  -0.88109
   D107      -0.92716  -0.00097   0.00006   0.01664   0.01673  -0.91043
   D108      -3.09472   0.00123   0.00007   0.03539   0.03548  -3.05924
   D109       1.16436   0.00072   0.00006   0.03107   0.03113   1.19549
   D110      -1.58218  -0.00011   0.00002   0.00522   0.00524  -1.57695
   D111       1.56958  -0.00018   0.00003   0.00282   0.00285   1.57243
   D112       0.53826   0.00021   0.00001   0.01149   0.01151   0.54977
   D113      -2.59316   0.00015   0.00002   0.00910   0.00912  -2.58404
   D114       2.54113   0.00021   0.00000   0.01139   0.01138   2.55251
   D115      -0.59030   0.00015   0.00001   0.00900   0.00900  -0.58130
   D116      -3.14049  -0.00003   0.00001  -0.00067  -0.00067  -3.14116
   D117      -0.00501  -0.00005   0.00001  -0.00106  -0.00106  -0.00607
   D118      -0.00898   0.00004   0.00000   0.00171   0.00170  -0.00728
   D119       3.12649   0.00002  -0.00001   0.00132   0.00131   3.12781
   D120       3.14112   0.00003  -0.00001   0.00063   0.00062  -3.14144
   D121       0.01152  -0.00004   0.00000  -0.00209  -0.00210   0.00942
   D122       0.00965  -0.00004   0.00001  -0.00177  -0.00176   0.00789
   D123      -3.11995  -0.00011   0.00001  -0.00449  -0.00449  -3.12443
   D124       0.00159  -0.00001   0.00000  -0.00054  -0.00054   0.00105
   D125       3.13936  -0.00001   0.00000  -0.00025  -0.00025   3.13911
   D126      -3.13390   0.00001   0.00000  -0.00015  -0.00015  -3.13405
   D127       0.00387   0.00001   0.00000   0.00014   0.00014   0.00401
   D128       0.00517  -0.00001   0.00000  -0.00057  -0.00057   0.00461
   D129       3.14070   0.00002   0.00000   0.00108   0.00108  -3.14140
   D130      -3.13259  -0.00002   0.00000  -0.00086  -0.00086  -3.13345
   D131       0.00293   0.00002   0.00000   0.00079   0.00079   0.00373
   D132      -0.00450   0.00002   0.00000   0.00051   0.00051  -0.00399
   D133       3.13288   0.00005   0.00000   0.00176   0.00175   3.13463
   D134      -3.14003  -0.00002   0.00000  -0.00113  -0.00114  -3.14116
   D135      -0.00265   0.00001   0.00000   0.00011   0.00010  -0.00254
   D136      -0.00294   0.00001   0.00000   0.00065   0.00065  -0.00228
   D137       3.12670   0.00008   0.00000   0.00339   0.00338   3.13008
   D138      -3.14033  -0.00002   0.00000  -0.00058  -0.00058  -3.14091
   D139      -0.01070   0.00005   0.00000   0.00215   0.00215  -0.00855
   D140      -1.25571   0.00038  -0.00003  -0.04944  -0.04950  -1.30521
   D141       3.03538  -0.00009  -0.00001  -0.05198  -0.05203   2.98336
   D142       0.84197   0.00018  -0.00005  -0.04965  -0.04973   0.79223
   D143       0.91180  -0.00079  -0.00004  -0.06364  -0.06365   0.84815
   D144      -1.08029  -0.00125  -0.00003  -0.06618  -0.06617  -1.14646
   D145       3.00948  -0.00098  -0.00007  -0.06385  -0.06388   2.94560
   D146       2.94748  -0.00064  -0.00001  -0.06394  -0.06396   2.88352
   D147       0.95538  -0.00111   0.00000  -0.06647  -0.06648   0.88891
   D148      -1.23803  -0.00083  -0.00003  -0.06414  -0.06418  -1.30222
   D149       2.32215  -0.00066  -0.00002  -0.02785  -0.02787   2.29428
   D150      -1.87743  -0.00033  -0.00003  -0.02686  -0.02689  -1.90432
   D151       0.20990  -0.00060  -0.00001  -0.02882  -0.02883   0.18107
   D152      -1.02985  -0.00043  -0.00005  -0.02198  -0.02203  -1.05188
   D153       3.11050  -0.00082  -0.00003  -0.02481  -0.02484   3.08566
   D154       1.09413  -0.00046  -0.00004  -0.02225  -0.02230   1.07183
   D155      -3.04331   0.00044  -0.00002  -0.02097  -0.02099  -3.06430
   D156       1.09704   0.00005   0.00000  -0.02380  -0.02380   1.07324
   D157      -0.91933   0.00041  -0.00001  -0.02124  -0.02126  -0.94059
   D158       1.16549  -0.00003  -0.00002  -0.02143  -0.02145   1.14404
   D159      -0.97735  -0.00041  -0.00001  -0.02425  -0.02425  -1.00160
   D160      -2.99372  -0.00006  -0.00002  -0.02169  -0.02171  -3.01543
   D161       3.06844  -0.00008   0.00000  -0.01358  -0.01359   3.05485
   D162      -1.05685  -0.00032   0.00002  -0.01621  -0.01619  -1.07305
   D163       0.94251  -0.00029   0.00001  -0.01646  -0.01645   0.92606
   D164      -1.09343  -0.00022  -0.00002  -0.01504  -0.01506  -1.10849
   D165       1.06446  -0.00046   0.00000  -0.01766  -0.01766   1.04680
   D166       3.06382  -0.00043  -0.00001  -0.01791  -0.01792   3.04590
   D167       0.95505   0.00024  -0.00003  -0.00981  -0.00984   0.94521
   D168       3.11294   0.00000  -0.00001  -0.01244  -0.01245   3.10049
   D169      -1.17088   0.00003  -0.00002  -0.01269  -0.01271  -1.18359
   D170       1.12234   0.00025  -0.00001   0.00594   0.00593   1.12827
   D171      -2.13791   0.00012  -0.00004  -0.00928  -0.00932  -2.14723
   D172      -1.02919   0.00019   0.00001   0.00590   0.00592  -1.02327
   D173       1.99375   0.00006  -0.00003  -0.00931  -0.00934   1.98441
   D174      -3.11580  -0.00032   0.00003   0.00034   0.00036  -3.11544
   D175      -0.09286  -0.00045  -0.00001  -0.01488  -0.01489  -0.10775
   D176       1.70315  -0.00003   0.00002   0.00921   0.00923   1.71239
   D177      -1.43777  -0.00001   0.00002   0.01027   0.01029  -1.42748
   D178      -0.44172   0.00011   0.00001   0.01115   0.01116  -0.43056
   D179       2.70054   0.00013   0.00001   0.01221   0.01222   2.71275
   D180      -2.45995   0.00024   0.00000   0.01197   0.01197  -2.44797
   D181       0.68231   0.00026   0.00000   0.01303   0.01303   0.69534
   D182      -3.14070   0.00001   0.00000   0.00040   0.00041  -3.14030
   D183       0.00265   0.00001   0.00000   0.00031   0.00031   0.00296
   D184       0.00023  -0.00001   0.00000  -0.00065  -0.00065  -0.00042
   D185      -3.13961   0.00000   0.00000  -0.00074  -0.00074  -3.14035
   D186       3.14122  -0.00001   0.00000  -0.00057  -0.00057   3.14065
   D187      -0.00184  -0.00002   0.00000  -0.00115  -0.00115  -0.00299
   D188       0.00029   0.00001   0.00000   0.00049   0.00049   0.00078
   D189       3.14041  -0.00001   0.00000  -0.00010  -0.00009   3.14032
   D190      -0.00012   0.00001   0.00000   0.00034   0.00034   0.00022
   D191      -3.14141   0.00001   0.00000   0.00048   0.00048  -3.14093
   D192       3.13972   0.00000   0.00000   0.00043   0.00043   3.14016
   D193      -0.00157   0.00001   0.00000   0.00057   0.00057  -0.00100
   D194      -0.00051   0.00000   0.00000   0.00013   0.00013  -0.00038
   D195      -3.14053   0.00000   0.00000   0.00006   0.00006  -3.14047
   D196       3.14078   0.00000   0.00000  -0.00001  -0.00001   3.14077
   D197       0.00076  -0.00001   0.00000  -0.00008  -0.00008   0.00068
   D198       0.00104  -0.00001   0.00000  -0.00029  -0.00029   0.00074
   D199      -3.13938   0.00000   0.00000  -0.00018  -0.00018  -3.13956
   D200       3.14106  -0.00001   0.00000  -0.00022  -0.00022   3.14084
   D201       0.00064   0.00000   0.00000  -0.00011  -0.00011   0.00053
   D202      -0.00092   0.00000   0.00000  -0.00002  -0.00002  -0.00094
   D203      -3.14106   0.00001   0.00000   0.00056   0.00056  -3.14050
   D204       3.13949   0.00000   0.00000  -0.00013  -0.00013   3.13937
   D205      -0.00064   0.00001   0.00000   0.00045   0.00045  -0.00019
   D206      -0.09703   0.00013  -0.00001   0.00338   0.00337  -0.09367
   D207       3.05662   0.00043  -0.00007   0.02054   0.02049   3.07710
   D208      -3.11758   0.00027   0.00003   0.01880   0.01881  -3.09877
   D209       0.03607   0.00056  -0.00003   0.03596   0.03593   0.07200
   D210       2.86968  -0.00060  -0.00004  -0.04375  -0.04379   2.82589
   D211      -0.26081  -0.00032  -0.00009  -0.02796  -0.02806  -0.28888
   D212      -1.47136   0.00003  -0.00008  -0.02520  -0.02529  -1.49665
   D213       2.74291  -0.00035  -0.00007  -0.02914  -0.02919   2.71372
   D214       0.70305  -0.00055  -0.00007  -0.03357  -0.03366   0.66939
   D215      -0.16746  -0.00037  -0.00002  -0.02199  -0.02200  -0.18945
   D216       2.98488  -0.00056  -0.00001  -0.03356  -0.03357   2.95131
   D217       1.76741   0.00055  -0.00007  -0.01292  -0.01299   1.75442
   D218      -1.36344   0.00036  -0.00007  -0.02449  -0.02456  -1.38800
   D219      -2.29307  -0.00046   0.00000  -0.01930  -0.01931  -2.31237
   D220       0.85927  -0.00065   0.00000  -0.03087  -0.03088   0.82839
   D221      -3.13252  -0.00024   0.00000  -0.01293  -0.01293   3.13773
   D222       0.00575  -0.00023   0.00000  -0.01179  -0.01179  -0.00604
   D223      -0.00074  -0.00007   0.00000  -0.00236  -0.00236  -0.00310
   D224       3.13752  -0.00006   0.00000  -0.00122  -0.00121   3.13631
   D225       3.13115   0.00019   0.00000   0.01063   0.01062  -3.14141
   D226      -0.00169   0.00004   0.00000   0.00119   0.00119  -0.00050
   D227       0.00385   0.00007   0.00000   0.00262   0.00263   0.00648
   D228      -3.13474   0.00006   0.00000   0.00159   0.00159  -3.13315
   D229      -0.00506  -0.00003   0.00000  -0.00158  -0.00158  -0.00664
   D230       3.13936  -0.00004   0.00000  -0.00159  -0.00159   3.13777
   D231       0.00399  -0.00001   0.00000   0.00024   0.00024   0.00423
   D232      -3.14027   0.00000   0.00000   0.00026   0.00027  -3.14000
   D233       0.14674  -0.00015   0.00000   0.01234   0.01234   0.15908
   D234       2.24127   0.00041  -0.00002   0.02055   0.02053   2.26179
   D235      -1.95599   0.00007   0.00000   0.01721   0.01720  -1.93878
   D236      -2.02658   0.00000   0.00006   0.01103   0.01110  -2.01549
   D237       0.06795   0.00056   0.00004   0.01923   0.01928   0.08723
   D238       2.15388   0.00022   0.00006   0.01589   0.01596   2.16984
   D239       2.19152  -0.00021   0.00002   0.01171   0.01172   2.20323
   D240      -1.99714   0.00035   0.00000   0.01991   0.01990  -1.97724
   D241       0.08879   0.00001   0.00002   0.01657   0.01658   0.10537
   D242       2.81511   0.00060   0.00005   0.03572   0.03577   2.85088
   D243      -1.38480   0.00021   0.00005   0.03158   0.03164  -1.35316
   D244       0.72750   0.00059   0.00003   0.03650   0.03654   0.76404
   D245      -1.27130   0.00075   0.00001   0.03803   0.03804  -1.23326
   D246       0.81198   0.00037   0.00001   0.03389   0.03390   0.84588
   D247       2.92428   0.00074  -0.00002   0.03881   0.03880   2.96308
   D248       0.80876   0.00003   0.00005   0.03159   0.03163   0.84039
   D249       2.89204  -0.00036   0.00005   0.02745   0.02750   2.91953
   D250      -1.27885   0.00002   0.00003   0.03237   0.03239  -1.24646
   D251       0.00187  -0.00001   0.00000  -0.00082  -0.00082   0.00104
   D252       3.12354  -0.00003   0.00000  -0.00223  -0.00223   3.12131
         Item               Value     Threshold  Converged?
 Maximum Force            0.005723     0.000450     NO 
 RMS     Force            0.000884     0.000300     NO 
 Maximum Displacement     0.913256     0.001800     NO 
 RMS     Displacement     0.152796     0.001200     NO 
 Predicted change in Energy=-2.066276D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.780066   -2.641215    0.170432
      2          6           0       -9.410728   -1.379329   -0.613899
      3          6           0      -10.319832   -0.201214   -0.245697
      4          6           0       -7.980260   -0.989347   -0.414403
      5          7           0       -7.223600   -0.351924   -1.276117
      6          6           0       -5.916897   -0.109563   -0.774000
      7          6           0       -4.959019    0.617046   -1.679205
      8          7           0       -4.669642    1.980274   -1.194638
      9          6           0       -5.691914    3.019681   -1.466828
     10          6           0       -3.661660    2.294199   -0.267421
     11          8           0       -3.496988    3.444871    0.129726
     12          7           0       -2.849484    1.236031    0.210803
     13          6           0       -1.564434    1.600152    0.846393
     14          6           0       -0.456783    1.456152   -0.220940
     15          8           0       -0.585279    0.718253   -1.191576
     16          7           0        0.660728    2.262352   -0.072647
     17          6           0        1.722226    2.296577   -1.109766
     18          6           0        1.853326    3.741197   -1.659312
     19          6           0        2.171906    4.771414   -0.613551
     20          6           0        1.133833    5.438233    0.057413
     21          6           0        1.429478    6.396703    1.029592
     22          6           0        2.759148    6.699284    1.340063
     23          6           0        3.794655    6.041977    0.668958
     24          6           0        3.505680    5.082519   -0.305290
     25          6           0        3.070790    1.788636   -0.556467
     26          6           0        3.032092    0.297467   -0.206238
     27          8           0        2.281236    0.184385    1.017981
     28          6           0        4.443945   -0.272932    0.137622
     29          6           0        5.422589   -0.126370   -1.045963
     30          6           0        6.811877   -0.564865   -0.675987
     31          6           0        7.258390   -1.851939   -1.013416
     32          6           0        8.550013   -2.256446   -0.666392
     33          6           0        9.402331   -1.383662    0.017305
     34          6           0        8.958511   -0.101070    0.353782
     35          6           0        7.667399    0.310200    0.010154
     36          7           0        4.294669   -1.699840    0.538218
     37          6           0        3.851767   -2.658962   -0.348482
     38          8           0        3.446578   -2.526933   -1.485266
     39          8           0        3.901212   -3.902276    0.298836
     40          6           0        3.102405   -4.959343   -0.313841
     41          6           0        1.716365   -4.876976    0.197507
     42          6           0        1.204763   -4.140853    1.229246
     43          7           0       -0.183785   -4.293638    1.452622
     44          6           0       -0.729519   -5.136457    0.614988
     45         16           0        0.441118   -5.812400   -0.541902
     46          6           0       -1.321333    0.693572    2.084067
     47          6           0       -1.001090   -0.754303    1.699040
     48          6           0       -0.234619    1.302726    2.975672
     49          6           0       -5.682741   -0.573522    0.487867
     50         16           0       -7.114396   -1.341507    1.104968
     51          1           0      -10.851612   -2.858781    0.072658
     52          1           0       -9.230419   -3.517714   -0.192993
     53          1           0       -9.584420   -2.550348    1.246848
     54          1           0       -9.547500   -1.605439   -1.711720
     55          1           0      -10.407246   -0.073218    0.840954
     56          1           0       -9.940683    0.743827   -0.656108
     57          1           0      -11.333068   -0.348850   -0.637045
     58          1           0       -4.010458    0.036098   -1.787364
     59          1           0       -5.384903    0.682495   -2.714109
     60          1           0       -6.130547    2.871440   -2.464534
     61          1           0       -5.223922    4.022802   -1.423411
     62          1           0       -6.500256    2.995633   -0.714830
     63          1           0       -2.844679    0.333034   -0.261429
     64          1           0       -1.639344    2.677343    1.185902
     65          1           0        0.837972    2.788278    0.777886
     66          1           0        1.400271    1.626197   -1.957229
     67          1           0        0.902169    4.004469   -2.175763
     68          1           0        2.617785    3.756841   -2.461933
     69          1           0        0.094653    5.213233   -0.183752
     70          1           0        0.619146    6.912098    1.544810
     71          1           0        2.987179    7.446045    2.097750
     72          1           0        4.831060    6.279300    0.903076
     73          1           0        4.317028    4.584508   -0.829321
     74          1           0        3.370154    2.377862    0.332460
     75          1           0        3.850013    1.963720   -1.329805
     76          1           0        2.545191   -0.299038   -1.011040
     77          1           0        1.600238   -0.515359    0.937654
     78          1           0        4.842125    0.269326    1.036848
     79          1           0        5.043095   -0.701193   -1.920625
     80          1           0        5.436200    0.932817   -1.384339
     81          1           0        6.600047   -2.535289   -1.546734
     82          1           0        8.892387   -3.256139   -0.930941
     83          1           0       10.408247   -1.700848    0.285501
     84          1           0        9.620481    0.581331    0.884402
     85          1           0        7.332473    1.310025    0.275608
     86          1           0        4.641313   -1.976859    1.454218
     87          1           0        3.636392   -5.867671    0.045748
     88          1           0        3.167021   -4.868866   -1.417549
     89          1           0        1.748320   -3.464973    1.882958
     90          1           0       -1.774208   -5.424109    0.584142
     91          1           0       -2.280015    0.699550    2.669893
     92          1           0       -0.836989   -0.889428    0.620659
     93          1           0       -0.098836   -1.128432    2.197859
     94          1           0       -1.813298   -1.434414    1.979277
     95          1           0       -0.257296    0.850869    3.974806
     96          1           0        0.776867    1.137122    2.577619
     97          1           0       -0.361073    2.382340    3.108537
     98          1           0       -4.786432   -0.494496    1.082149
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0653248      0.0272092      0.0203973
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3517.8153817253 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.239315632534     A.U. after   18 cycles
             Convg  =    0.9054D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000153396   -0.000748981    0.000357239
      2        6           0.000030279    0.001884657    0.000398917
      3        6           0.000863253   -0.000978316    0.001086734
      4        6          -0.000277428   -0.000269168    0.000534219
      5        7          -0.001206993   -0.000156464    0.000044401
      6        6           0.001055711    0.001583761   -0.000115135
      7        6           0.000919341    0.000100795    0.002054421
      8        7          -0.002938282    0.000780929   -0.005216278
      9        6           0.001896970   -0.001184709    0.002125684
     10        6           0.001666129   -0.001394131   -0.001246070
     11        8          -0.000146041    0.000549882   -0.000158122
     12        7           0.002581141   -0.001595542    0.005467077
     13        6          -0.001846563   -0.000985856   -0.002035344
     14        6           0.000550213   -0.001674826   -0.001482528
     15        8          -0.000480405    0.000965598    0.001124190
     16        7           0.001013573    0.000682453   -0.001891283
     17        6          -0.000778829   -0.001868464   -0.000132240
     18        6           0.000324756    0.001694570    0.000034143
     19        6           0.000030460   -0.000378009    0.000152830
     20        6          -0.000370732    0.000002269    0.000219993
     21        6           0.000284087   -0.000023822    0.000004511
     22        6          -0.000143250   -0.000194103    0.000036603
     23        6          -0.000142276    0.000090958    0.000003221
     24        6           0.000423960    0.000032890   -0.000090071
     25        6          -0.000775238    0.001570908   -0.001067991
     26        6           0.000761134   -0.000824249    0.000025630
     27        8           0.000039964   -0.001424935    0.000855300
     28        6          -0.001634964    0.001043098   -0.000059431
     29        6           0.000782624   -0.001368934   -0.000012366
     30        6           0.000264403    0.000493211   -0.000086506
     31        6          -0.000114887   -0.000701563   -0.000163085
     32        6          -0.000006610    0.000345278    0.000084177
     33        6          -0.000186337   -0.000138033    0.000062223
     34        6           0.000317854    0.000055641   -0.000154071
     35        6          -0.000630943   -0.000321795    0.000395965
     36        7           0.000272549   -0.000036276   -0.000619958
     37        6           0.000925970    0.000453844    0.002031756
     38        8          -0.000601848   -0.000008161   -0.000755692
     39        8           0.000242644    0.001133257   -0.001174061
     40        6          -0.000698796   -0.003106036    0.001658058
     41        6           0.000270312    0.001511645    0.000098205
     42        6           0.002214776    0.000286291    0.000312381
     43        7          -0.001366747   -0.001287332   -0.000301526
     44        6          -0.000159870    0.001731937   -0.000201314
     45       16           0.000211758   -0.001066435   -0.000006243
     46        6           0.000133686   -0.000288564    0.000741671
     47        6          -0.001313364    0.000004348   -0.000219655
     48        6          -0.001055643    0.000340459   -0.000745267
     49        6           0.000618043   -0.000354922    0.000838884
     50       16          -0.000362027   -0.000416745   -0.000488765
     51        1          -0.000490580    0.000578814   -0.000253892
     52        1          -0.000036983   -0.000153556    0.000051867
     53        1           0.000290537    0.000152929   -0.000571802
     54        1           0.000332458   -0.000839934   -0.000469855
     55        1          -0.000627012    0.000028760   -0.000459571
     56        1           0.000168303    0.000404079   -0.000358081
     57        1          -0.000255701   -0.000073337   -0.000040202
     58        1           0.000144710   -0.000049507    0.000097407
     59        1           0.000425348   -0.000530146   -0.000175449
     60        1          -0.000179829    0.000052974   -0.000427372
     61        1          -0.000340802    0.000283678   -0.000104892
     62        1           0.000010145    0.000697014   -0.000257473
     63        1          -0.002078331    0.002354649   -0.001390021
     64        1          -0.000815790   -0.000049400    0.000301628
     65        1           0.000063877   -0.000424777    0.000683381
     66        1           0.000151253    0.000955695   -0.000443203
     67        1          -0.000051255   -0.000462976    0.000302333
     68        1          -0.000221861    0.000233211    0.000131135
     69        1           0.000059748    0.000070653    0.000005285
     70        1          -0.000087762    0.000046721    0.000011525
     71        1           0.000060799    0.000143712   -0.000030640
     72        1           0.000018605   -0.000118778   -0.000011317
     73        1          -0.000233839    0.000048847    0.000042231
     74        1           0.000609618   -0.000348964    0.000637055
     75        1           0.000122430   -0.001615116    0.000762410
     76        1           0.000306270    0.000650339    0.000379856
     77        1           0.000552323    0.000204222   -0.000292468
     78        1           0.000172352   -0.000086704    0.000044944
     79        1          -0.000120326    0.000694514    0.000172710
     80        1           0.000064853    0.000511737    0.000041939
     81        1           0.000134121    0.000341103   -0.000017499
     82        1          -0.000046503   -0.000118720   -0.000013812
     83        1           0.000178548    0.000091388   -0.000070409
     84        1          -0.000038443   -0.000072423    0.000017090
     85        1           0.000174912    0.000104850   -0.000084778
     86        1          -0.000355813   -0.000250373    0.000044802
     87        1           0.000393958    0.000007690   -0.000943493
     88        1          -0.000177157    0.000859785   -0.000568386
     89        1          -0.000633503   -0.000038913    0.000035847
     90        1          -0.000275219   -0.000409609   -0.000009256
     91        1          -0.000016429    0.000380958   -0.000137451
     92        1           0.000637982    0.000164994    0.000364499
     93        1           0.000676241   -0.000021093    0.000818396
     94        1          -0.000063203    0.000182149    0.000206049
     95        1          -0.000226295    0.000104422    0.000051075
     96        1          -0.000601121    0.000684956   -0.000587543
     97        1           0.000632648   -0.000049549    0.000563537
     98        1          -0.000019194    0.000136725   -0.000373565
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005467077 RMS     0.000887144

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.004016926 RMS     0.000645225
 Search for a local minimum.
 Step number  10 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points    7    9   10
 DE= -2.68D-03 DEPred=-2.07D-03 R= 1.30D+00
 SS=  1.41D+00  RLast= 4.98D-01 DXNew= 1.2000D+00 1.4940D+00
 Trust test= 1.30D+00 RLast= 4.98D-01 DXMaxT set to 1.20D+00
     Eigenvalues ---    0.00261   0.00322   0.00385   0.00411   0.00516
     Eigenvalues ---    0.00588   0.00635   0.00653   0.00675   0.00802
     Eigenvalues ---    0.00885   0.00901   0.00919   0.00936   0.00985
     Eigenvalues ---    0.01029   0.01085   0.01145   0.01176   0.01228
     Eigenvalues ---    0.01241   0.01269   0.01361   0.01393   0.01402
     Eigenvalues ---    0.01435   0.01454   0.01461   0.01504   0.01556
     Eigenvalues ---    0.01574   0.01600   0.01628   0.01740   0.01748
     Eigenvalues ---    0.01923   0.01957   0.01969   0.01979   0.02074
     Eigenvalues ---    0.02180   0.02194   0.02203   0.02219   0.02220
     Eigenvalues ---    0.02257   0.02268   0.02288   0.02328   0.02374
     Eigenvalues ---    0.02406   0.02408   0.02414   0.02448   0.02483
     Eigenvalues ---    0.02485   0.02527   0.02527   0.02533   0.02613
     Eigenvalues ---    0.02701   0.02740   0.03271   0.03969   0.04036
     Eigenvalues ---    0.04104   0.04228   0.04315   0.04334   0.04498
     Eigenvalues ---    0.04722   0.04883   0.04927   0.04984   0.05024
     Eigenvalues ---    0.05048   0.05111   0.05174   0.05308   0.05412
     Eigenvalues ---    0.05468   0.05507   0.05527   0.05546   0.05636
     Eigenvalues ---    0.05648   0.05778   0.05807   0.05810   0.05895
     Eigenvalues ---    0.06018   0.06105   0.06241   0.06413   0.06489
     Eigenvalues ---    0.06864   0.06939   0.07256   0.07403   0.07520
     Eigenvalues ---    0.07995   0.08586   0.09444   0.09830   0.10066
     Eigenvalues ---    0.11967   0.12423   0.12886   0.13118   0.13273
     Eigenvalues ---    0.13878   0.14250   0.14406   0.15900   0.15917
     Eigenvalues ---    0.15967   0.15997   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16003   0.16012   0.16043
     Eigenvalues ---    0.16065   0.16100   0.16164   0.16310   0.16771
     Eigenvalues ---    0.16960   0.16981   0.17150   0.17753   0.17942
     Eigenvalues ---    0.18054   0.18179   0.18982   0.19180   0.20390
     Eigenvalues ---    0.21298   0.21731   0.21863   0.21982   0.21999
     Eigenvalues ---    0.22000   0.22001   0.22006   0.22039   0.22066
     Eigenvalues ---    0.22312   0.22488   0.23417   0.23482   0.23521
     Eigenvalues ---    0.23706   0.23760   0.24151   0.24318   0.24555
     Eigenvalues ---    0.24804   0.24953   0.24995   0.24998   0.24999
     Eigenvalues ---    0.25000   0.25000   0.25009   0.25045   0.25194
     Eigenvalues ---    0.25491   0.28874   0.29361   0.29469   0.29758
     Eigenvalues ---    0.29851   0.29910   0.30123   0.30243   0.30360
     Eigenvalues ---    0.30683   0.30909   0.31189   0.31337   0.31415
     Eigenvalues ---    0.31432   0.31506   0.31525   0.31570   0.31663
     Eigenvalues ---    0.31993   0.32111   0.32362   0.32415   0.32516
     Eigenvalues ---    0.32582   0.32663   0.32775   0.32804   0.32852
     Eigenvalues ---    0.32943   0.33009   0.33060   0.33065   0.33144
     Eigenvalues ---    0.33183   0.33244   0.33269   0.33458   0.33567
     Eigenvalues ---    0.33632   0.33676   0.33680   0.33792   0.33973
     Eigenvalues ---    0.33990   0.34067   0.34166   0.34230   0.34286
     Eigenvalues ---    0.34334   0.34365   0.34424   0.34498   0.34560
     Eigenvalues ---    0.34626   0.34717   0.34900   0.35811   0.36081
     Eigenvalues ---    0.36252   0.36314   0.36376   0.36637   0.36842
     Eigenvalues ---    0.36959   0.37491   0.38528   0.39263   0.39381
     Eigenvalues ---    0.41381   0.41730   0.41880   0.42539   0.42837
     Eigenvalues ---    0.43159   0.43361   0.44218   0.44412   0.45053
     Eigenvalues ---    0.45116   0.45889   0.47561   0.48249   0.48371
     Eigenvalues ---    0.48518   0.48619   0.48953   0.49354   0.49988
     Eigenvalues ---    0.50371   0.50932   0.51239   0.51395   0.56396
     Eigenvalues ---    0.58072   0.59143   0.61856   0.65158   0.70349
     Eigenvalues ---    0.75915   0.78073   0.839891000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    10    9
 RFO step:  Lambda=-7.20300069D-04.
 DIIS coeffs:      2.39694     -1.39694
 Maximum step size (   1.200) exceeded in Quadratic search.
    -- Step size scaled by   0.844
 Iteration  1 RMS(Cart)=  0.25703427 RMS(Int)=  0.00710734
 Iteration  2 RMS(Cart)=  0.02209275 RMS(Int)=  0.00133914
 Iteration  3 RMS(Cart)=  0.00021268 RMS(Int)=  0.00133611
 Iteration  4 RMS(Cart)=  0.00001131 RMS(Int)=  0.00133611
 Iteration  5 RMS(Cart)=  0.00000007 RMS(Int)=  0.00133611
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89316  -0.00046   0.00023  -0.00229  -0.00206   2.89110
    R2        2.07449  -0.00013  -0.00105  -0.00093  -0.00197   2.07252
    R3        2.07219  -0.00005  -0.00010   0.00024   0.00014   2.07234
    R4        2.07458  -0.00048   0.00072  -0.00269  -0.00197   2.07260
    R5        2.89689   0.00035  -0.00052   0.00409   0.00358   2.90047
    R6        2.82710   0.00048   0.00201   0.00278   0.00479   2.83189
    R7        2.13384  -0.00043   0.00034  -0.00306  -0.00272   2.13112
    R8        2.07426  -0.00053   0.00015  -0.00346  -0.00332   2.07094
    R9        2.07465   0.00007   0.00058   0.00181   0.00239   2.07704
   R10        2.07147  -0.00023  -0.00060  -0.00167  -0.00227   2.06919
   R11        2.47936   0.00029  -0.00030   0.00402   0.00372   2.48307
   R12        3.37104   0.00002   0.00622   0.00050   0.00672   3.37776
   R13        2.68470  -0.00099  -0.00045  -0.00696  -0.00741   2.67728
   R14        2.84395   0.00042   0.00309   0.00309   0.00618   2.85013
   R15        2.57890   0.00021  -0.00226   0.00356   0.00130   2.58021
   R16        2.78818   0.00086   0.00160   0.00546   0.00707   2.79525
   R17        2.11191  -0.00012   0.00007  -0.00169  -0.00162   2.11029
   R18        2.11842  -0.00015  -0.00014  -0.00137  -0.00152   2.11691
   R19        2.80259   0.00030  -0.00027   0.00135   0.00108   2.80367
   R20        2.65525   0.00144   0.00117   0.00602   0.00718   2.66244
   R21        2.07852   0.00027   0.00052   0.00251   0.00302   2.08154
   R22        2.09338  -0.00011   0.00023  -0.00092  -0.00069   2.09269
   R23        2.08684  -0.00024  -0.00017  -0.00150  -0.00168   2.08516
   R24        2.32128  -0.00047   0.00079  -0.00069   0.00010   2.32138
   R25        2.67785   0.00343   0.00470   0.01506   0.01976   2.69761
   R26        2.79521   0.00192   0.00307   0.01120   0.01428   2.80948
   R27        1.92569   0.00250   0.00712   0.01366   0.02078   1.94647
   R28        2.91950  -0.00163  -0.00501   0.00344  -0.00157   2.91793
   R29        2.93536   0.00098   0.00721   0.01389   0.02110   2.95646
   R30        2.13900  -0.00037  -0.00129  -0.00234  -0.00363   2.13537
   R31        2.31685   0.00080   0.00423   0.00338   0.00761   2.32446
   R32        2.61901  -0.00053  -0.00227   0.00139  -0.00088   2.61813
   R33        2.80519  -0.00128  -0.00162   0.00187   0.00025   2.80544
   R34        1.91918   0.00061   0.00338   0.00568   0.00906   1.92824
   R35        2.93128  -0.00128  -0.00098  -0.01371  -0.01469   2.91659
   R36        2.91702  -0.00015   0.00078   0.00689   0.00767   2.92470
   R37        2.13067   0.00101   0.00217   0.00912   0.01129   2.14195
   R38        2.83865   0.00029   0.00086   0.00034   0.00121   2.83986
   R39        2.10493  -0.00038  -0.00027  -0.00298  -0.00325   2.10168
   R40        2.09482   0.00016   0.00181   0.00139   0.00320   2.09802
   R41        2.65399  -0.00023  -0.00036  -0.00094  -0.00130   2.65269
   R42        2.65287  -0.00007   0.00120  -0.00062   0.00059   2.65346
   R43        2.63967  -0.00002   0.00075  -0.00015   0.00060   2.64027
   R44        2.06031   0.00009  -0.00011   0.00033   0.00022   2.06052
   R45        2.64290   0.00008  -0.00009   0.00124   0.00115   2.64405
   R46        2.05947  -0.00010  -0.00035  -0.00077  -0.00112   2.05835
   R47        2.64204   0.00005   0.00085  -0.00019   0.00066   2.64271
   R48        2.05602  -0.00014   0.00010  -0.00072  -0.00062   2.05540
   R49        2.64104   0.00007   0.00000  -0.00120  -0.00120   2.63984
   R50        2.05735   0.00006  -0.00046  -0.00048  -0.00095   2.05640
   R51        2.05356   0.00023  -0.00020   0.00069   0.00049   2.05405
   R52        2.89550  -0.00002   0.00251   0.00298   0.00550   2.90100
   R53        2.09325   0.00053   0.00034   0.00403   0.00437   2.09762
   R54        2.10082  -0.00072   0.00011  -0.00476  -0.00465   2.09618
   R55        2.72231   0.00115   0.00408  -0.00133   0.00275   2.72506
   R56        2.94999   0.00017  -0.00250   0.00207  -0.00043   2.94956
   R57        2.10482   0.00060   0.00206   0.00513   0.00719   2.11200
   R58        1.85140   0.00030   0.00066   0.00367   0.00433   1.85573
   R59        2.91539  -0.00070   0.00010  -0.00569  -0.00559   2.90980
   R60        2.81489  -0.00047  -0.00042  -0.00288  -0.00330   2.81159
   R61        2.12222   0.00009  -0.00012   0.00118   0.00106   2.12328
   R62        2.84043  -0.00007   0.00060  -0.00138  -0.00078   2.83964
   R63        2.10386   0.00063   0.00030   0.00422   0.00452   2.10838
   R64        2.10139  -0.00028   0.00062  -0.00219  -0.00156   2.09983
   R65        2.65222  -0.00020   0.00158  -0.00121   0.00037   2.65259
   R66        2.65131   0.00022   0.00047   0.00183   0.00230   2.65361
   R67        2.64044   0.00003  -0.00070  -0.00135  -0.00204   2.63840
   R68        2.05695   0.00036   0.00144   0.00275   0.00419   2.06114
   R69        2.64267   0.00010   0.00178   0.00053   0.00230   2.64497
   R70        2.05849  -0.00006  -0.00040  -0.00101  -0.00141   2.05709
   R71        2.64240   0.00005  -0.00082   0.00088   0.00006   2.64246
   R72        2.05659  -0.00021   0.00005  -0.00110  -0.00105   2.05555
   R73        2.64169  -0.00029   0.00051  -0.00220  -0.00169   2.64000
   R74        2.05749   0.00008   0.00012   0.00051   0.00063   2.05812
   R75        2.05476   0.00006   0.00070   0.00092   0.00162   2.05638
   R76        2.60639   0.00006  -0.00062  -0.00206  -0.00268   2.60371
   R77        1.92340   0.00023   0.00326   0.00323   0.00649   1.92989
   R78        2.29420   0.00050   0.00476   0.00399   0.00876   2.30296
   R79        2.65054  -0.00115  -0.00270  -0.00834  -0.01105   2.63949
   R80        2.75852  -0.00149   0.00076  -0.00925  -0.00849   2.75002
   R81        2.79613   0.00028   0.00288   0.00193   0.00481   2.80094
   R82        2.10389  -0.00097  -0.00616  -0.00904  -0.01520   2.08870
   R83        2.09626   0.00097   0.00194   0.00729   0.00923   2.10549
   R84        2.58285   0.00021  -0.00285   0.00488   0.00206   2.58490
   R85        3.29918  -0.00074   0.00233  -0.00540  -0.00305   3.29613
   R86        2.67335  -0.00143  -0.00122  -0.00814  -0.00935   2.66400
   R87        2.05243   0.00016   0.00201   0.00252   0.00453   2.05695
   R88        2.47099   0.00095  -0.00140   0.00545   0.00403   2.47502
   R89        3.36227  -0.00059   0.00518  -0.00290   0.00226   3.36454
   R90        2.04847  -0.00045  -0.00219  -0.00393  -0.00612   2.04236
   R91        2.89513   0.00079  -0.00045   0.00667   0.00622   2.90135
   R92        2.89503  -0.00052   0.00305  -0.00203   0.00102   2.89605
   R93        2.12315  -0.00009   0.00066  -0.00031   0.00035   2.12350
   R94        2.07706  -0.00038   0.00076  -0.00190  -0.00114   2.07592
   R95        2.07255  -0.00004   0.00022   0.00091   0.00113   2.07368
   R96        2.07075   0.00018   0.00088   0.00187   0.00275   2.07350
   R97        2.07264  -0.00001   0.00136   0.00050   0.00186   2.07450
   R98        2.07782   0.00071   0.00095  -0.00029   0.00066   2.07848
   R99        2.06941  -0.00004   0.00177   0.00076   0.00253   2.07194
   R100       3.28413  -0.00066   0.00161  -0.00498  -0.00338   3.28075
   R101       2.03774  -0.00022  -0.00087  -0.00212  -0.00300   2.03474
    A1        1.93179  -0.00005  -0.00158  -0.00160  -0.00319   1.92859
    A2        1.94777   0.00005  -0.00190  -0.00111  -0.00303   1.94475
    A3        1.97262  -0.00030  -0.00052  -0.00305  -0.00357   1.96906
    A4        1.87689  -0.00016   0.00129  -0.00532  -0.00406   1.87283
    A5        1.85218   0.00029   0.00184   0.00706   0.00890   1.86109
    A6        1.87737   0.00019   0.00122   0.00436   0.00557   1.88294
    A7        1.94692  -0.00007   0.00080  -0.00067   0.00005   1.94697
    A8        1.95758  -0.00008  -0.00208  -0.00414  -0.00625   1.95133
    A9        1.87948   0.00027   0.00859   0.01304   0.02165   1.90114
   A10        1.91206  -0.00002  -0.00364  -0.00479  -0.00848   1.90358
   A11        1.89186  -0.00006  -0.00178  -0.00157  -0.00345   1.88842
   A12        1.87304  -0.00004  -0.00173  -0.00151  -0.00326   1.86977
   A13        1.95479  -0.00016   0.00101  -0.00007   0.00093   1.95572
   A14        1.94652   0.00002  -0.00298  -0.00257  -0.00557   1.94095
   A15        1.93789  -0.00008   0.00008  -0.00099  -0.00093   1.93696
   A16        1.87256   0.00009   0.00059   0.00156   0.00214   1.87471
   A17        1.87081   0.00031   0.00075   0.00896   0.00970   1.88051
   A18        1.87727  -0.00016   0.00071  -0.00664  -0.00597   1.87130
   A19        2.20248  -0.00012   0.00607  -0.00178   0.00430   2.20677
   A20        2.12495   0.00015  -0.00436   0.00122  -0.00314   2.12181
   A21        1.95560  -0.00003  -0.00167   0.00051  -0.00116   1.95444
   A22        1.96189  -0.00013   0.00091  -0.00249  -0.00159   1.96030
   A23        2.04339   0.00029  -0.00337   0.00244  -0.00093   2.04246
   A24        2.01155   0.00019   0.00132   0.00267   0.00399   2.01554
   A25        2.22824  -0.00049   0.00205  -0.00511  -0.00306   2.22518
   A26        1.95345   0.00119   0.00564   0.00976   0.01542   1.96887
   A27        1.92566  -0.00034  -0.00211  -0.00433  -0.00645   1.91921
   A28        1.91948  -0.00028  -0.00070  -0.00395  -0.00461   1.91487
   A29        1.92369  -0.00043  -0.00135  -0.00189  -0.00323   1.92045
   A30        1.90050  -0.00058  -0.00249  -0.00669  -0.00916   1.89133
   A31        1.83740   0.00038   0.00066   0.00675   0.00739   1.84479
   A32        2.03989  -0.00028  -0.00582  -0.00996  -0.02411   2.01578
   A33        2.16983  -0.00029  -0.00925  -0.01288  -0.03002   2.13981
   A34        2.04768   0.00036  -0.00131  -0.00422  -0.01443   2.03325
   A35        1.92507  -0.00015  -0.00363  -0.00483  -0.00851   1.91655
   A36        1.91372  -0.00034  -0.00267  -0.00471  -0.00748   1.90625
   A37        1.94369   0.00043   0.00471   0.00779   0.01249   1.95618
   A38        1.90294  -0.00017  -0.00189  -0.00804  -0.01007   1.89287
   A39        1.89953  -0.00018  -0.00034  -0.00342  -0.00373   1.89580
   A40        1.87787   0.00042   0.00391   0.01332   0.01718   1.89505
   A41        2.11625  -0.00048  -0.00242  -0.00556  -0.00802   2.10823
   A42        2.05672   0.00045   0.00361   0.00565   0.00922   2.06594
   A43        2.11012   0.00003  -0.00110   0.00002  -0.00111   2.10901
   A44        2.04780   0.00012  -0.01476  -0.01272  -0.04021   2.00759
   A45        2.10368  -0.00040  -0.02223  -0.02575  -0.06408   2.03959
   A46        1.99672  -0.00028  -0.02699  -0.02334  -0.06562   1.93110
   A47        1.87870   0.00291   0.01021   0.00938   0.01921   1.89791
   A48        1.91205  -0.00033  -0.00734  -0.01679  -0.02407   1.88798
   A49        1.88142  -0.00034   0.00071   0.00271   0.00324   1.88467
   A50        1.96477  -0.00321  -0.02097   0.00931  -0.01153   1.95325
   A51        1.92130  -0.00016   0.00974  -0.00166   0.00798   1.92928
   A52        1.90370   0.00123   0.00842  -0.00319   0.00530   1.90900
   A53        2.12693   0.00124  -0.00559  -0.00627  -0.01229   2.11464
   A54        2.03752  -0.00292  -0.00238   0.01253   0.00971   2.04723
   A55        2.11686   0.00179   0.00592  -0.00205   0.00342   2.12028
   A56        2.11209   0.00070   0.00320   0.00380   0.00506   2.11716
   A57        2.13125  -0.00052  -0.00639  -0.00842  -0.01669   2.11457
   A58        2.03574  -0.00033  -0.00025   0.00019  -0.00208   2.03366
   A59        1.90649   0.00200   0.01380  -0.00756   0.00629   1.91278
   A60        1.94626  -0.00330  -0.01826   0.01497  -0.00338   1.94289
   A61        1.88308   0.00014  -0.00606  -0.00067  -0.00674   1.87634
   A62        1.93864   0.00115   0.00729  -0.00066   0.00667   1.94532
   A63        1.88765  -0.00095  -0.00241  -0.01133  -0.01376   1.87389
   A64        1.89994   0.00099   0.00564   0.00451   0.01011   1.91005
   A65        1.99326  -0.00070  -0.00205  -0.01215  -0.01425   1.97901
   A66        1.88832   0.00025   0.00599   0.00300   0.00899   1.89731
   A67        1.90492   0.00005  -0.00272  -0.00073  -0.00351   1.90140
   A68        1.91961   0.00008   0.00138  -0.00023   0.00118   1.92079
   A69        1.92637   0.00034  -0.00268   0.00413   0.00136   1.92772
   A70        1.82330   0.00005   0.00049   0.00774   0.00823   1.83153
   A71        2.09609  -0.00016   0.00149  -0.00076   0.00071   2.09680
   A72        2.10175   0.00015   0.00033   0.00187   0.00218   2.10393
   A73        2.08533   0.00000  -0.00179  -0.00106  -0.00287   2.08245
   A74        2.09653   0.00011   0.00147   0.00136   0.00283   2.09936
   A75        2.09537  -0.00007   0.00010  -0.00080  -0.00071   2.09467
   A76        2.09126  -0.00003  -0.00157  -0.00055  -0.00212   2.08915
   A77        2.09923  -0.00007  -0.00037  -0.00124  -0.00161   2.09761
   A78        2.08996   0.00003  -0.00060   0.00018  -0.00041   2.08954
   A79        2.09399   0.00004   0.00097   0.00106   0.00203   2.09603
   A80        2.08966  -0.00001  -0.00015   0.00015   0.00000   2.08965
   A81        2.09712  -0.00008  -0.00038  -0.00143  -0.00181   2.09531
   A82        2.09640   0.00008   0.00054   0.00128   0.00182   2.09822
   A83        2.09928  -0.00006  -0.00028  -0.00038  -0.00066   2.09863
   A84        2.09366  -0.00008  -0.00161  -0.00176  -0.00338   2.09029
   A85        2.09024   0.00014   0.00190   0.00214   0.00404   2.09427
   A86        2.09631   0.00003   0.00115   0.00120   0.00235   2.09866
   A87        2.09660   0.00003   0.00053   0.00120   0.00172   2.09832
   A88        2.09024  -0.00006  -0.00165  -0.00239  -0.00404   2.08619
   A89        1.96071  -0.00167  -0.01164   0.01297   0.00111   1.96182
   A90        1.92700   0.00068  -0.00050   0.00028  -0.00042   1.92657
   A91        1.88724   0.00064   0.01270   0.00512   0.01767   1.90491
   A92        1.91886  -0.00058  -0.01021  -0.00925  -0.01952   1.89934
   A93        1.90707   0.00153   0.01256   0.00142   0.01385   1.92092
   A94        1.85984  -0.00050  -0.00156  -0.01158  -0.01303   1.84681
   A95        1.85855  -0.00104  -0.00316   0.00490   0.00174   1.86029
   A96        1.96395   0.00037   0.00071  -0.00284  -0.00213   1.96182
   A97        1.94666   0.00043   0.00239   0.00693   0.00929   1.95595
   A98        1.82919   0.00049   0.00373  -0.00173   0.00200   1.83119
   A99        1.92213   0.00025   0.00028   0.00181   0.00206   1.92419
   A100       1.93782  -0.00051  -0.00386  -0.00890  -0.01274   1.92508
   A101       1.92696   0.00000  -0.00005  -0.00075  -0.00080   1.92616
   A102       1.94982  -0.00023  -0.00053  -0.00322  -0.00371   1.94610
   A103       1.89507  -0.00011  -0.00380  -0.00205  -0.00584   1.88923
   A104       1.89717  -0.00008  -0.00456  -0.00760  -0.01214   1.88503
   A105       1.94002   0.00031   0.00498   0.00596   0.01090   1.95092
   A106       1.92145   0.00014   0.00248   0.00539   0.00779   1.92924
   A107       1.85744  -0.00004   0.00126   0.00137   0.00248   1.85992
   A108       1.94956   0.00000  -0.00099  -0.00067  -0.00168   1.94788
   A109       1.91501  -0.00005  -0.00025  -0.00190  -0.00217   1.91284
   A110       1.90890   0.00006   0.00190   0.00397   0.00586   1.91476
   A111       1.93672  -0.00007  -0.00172  -0.00401  -0.00574   1.93098
   A112       1.91926   0.00008   0.00216   0.00329   0.00544   1.92470
   A113       1.83061  -0.00002  -0.00102  -0.00055  -0.00156   1.82905
   A114       2.09718   0.00012   0.00153   0.00268   0.00421   2.10138
   A115       2.09674   0.00000   0.00106  -0.00013   0.00093   2.09767
   A116       2.08926  -0.00012  -0.00259  -0.00255  -0.00514   2.08413
   A117       2.09424   0.00010   0.00192   0.00251   0.00443   2.09867
   A118       2.09566  -0.00009  -0.00109  -0.00116  -0.00226   2.09341
   A119       2.09328  -0.00002  -0.00083  -0.00135  -0.00218   2.09110
   A120       2.09918  -0.00009  -0.00077  -0.00124  -0.00202   2.09717
   A121       2.08968   0.00016   0.00220   0.00249   0.00469   2.09436
   A122       2.09433  -0.00007  -0.00143  -0.00124  -0.00267   2.09165
   A123       2.09055   0.00003   0.00000   0.00038   0.00038   2.09093
   A124       2.09662  -0.00006  -0.00148  -0.00132  -0.00280   2.09381
   A125       2.09602   0.00003   0.00148   0.00094   0.00242   2.09844
   A126       2.09885  -0.00006  -0.00018  -0.00087  -0.00105   2.09780
   A127       2.09346   0.00001   0.00120   0.00048   0.00169   2.09515
   A128       2.09087   0.00005  -0.00102   0.00039  -0.00063   2.09024
   A129       2.09428   0.00013   0.00161   0.00177   0.00339   2.09767
   A130       2.10027  -0.00028  -0.00267  -0.00540  -0.00807   2.09220
   A131       2.08863   0.00015   0.00106   0.00362   0.00468   2.09331
   A132       2.12401  -0.00010   0.00026  -0.00013   0.00005   2.12407
   A133       2.05852  -0.00010  -0.00024  -0.00047  -0.00079   2.05774
   A134       2.09287   0.00019  -0.00199   0.00078  -0.00129   2.09158
   A135       2.25690  -0.00050  -0.00243  -0.00602  -0.00858   2.24832
   A136       1.88431   0.00012   0.00737   0.00501   0.01224   1.89655
   A137       2.14160   0.00040  -0.00530   0.00214  -0.00330   2.13831
   A138       2.01408   0.00021  -0.00090   0.00463   0.00373   2.01782
   A139       1.90418   0.00054  -0.00478   0.00840   0.00357   1.90776
   A140       1.76479  -0.00003   0.01061   0.00818   0.01871   1.78350
   A141       1.90357   0.00000   0.00428   0.00293   0.00718   1.91075
   A142       1.96393   0.00022   0.00108   0.00273   0.00367   1.96760
   A143       1.97563  -0.00049  -0.00768  -0.01145  -0.01919   1.95644
   A144       1.93902  -0.00017  -0.00135  -0.00798  -0.00950   1.92953
   A145       2.26723  -0.00043   0.00135  -0.00369  -0.00248   2.26475
   A146       2.10371   0.00034  -0.00059   0.00479   0.00406   2.10776
   A147       1.91225   0.00009  -0.00071  -0.00111  -0.00188   1.91038
   A148       2.01354   0.00013   0.00253   0.00242   0.00498   2.01852
   A149       2.21702  -0.00067  -0.00079  -0.00999  -0.01080   2.20622
   A150       2.05262   0.00054  -0.00173   0.00756   0.00581   2.05843
   A151       1.95855  -0.00012  -0.00001  -0.00266  -0.00268   1.95588
   A152       1.96795  -0.00010  -0.00078   0.00077  -0.00003   1.96792
   A153       2.20370  -0.00016   0.00368  -0.00502  -0.00133   2.20237
   A154       2.11153   0.00027  -0.00291   0.00425   0.00136   2.11289
   A155       1.57245   0.00000  -0.00104   0.00058  -0.00042   1.57203
   A156       1.96497   0.00135   0.00412   0.01708   0.02122   1.98619
   A157       1.92056  -0.00100   0.00215   0.00419   0.00623   1.92679
   A158       1.85336  -0.00001   0.00066  -0.00526  -0.00447   1.84888
   A159       1.95387  -0.00072  -0.00588   0.00189  -0.00424   1.94962
   A160       1.89065  -0.00071  -0.00623  -0.01757  -0.02375   1.86690
   A161       1.87517   0.00114   0.00549  -0.00212   0.00325   1.87843
   A162       1.97574   0.00030   0.00148   0.00678   0.00813   1.98387
   A163       1.96064   0.00004   0.00277   0.00164   0.00425   1.96489
   A164       1.94696   0.00001  -0.00242  -0.00590  -0.00833   1.93863
   A165       1.85612   0.00035   0.00502   0.01732   0.02209   1.87821
   A166       1.86009  -0.00033  -0.00387  -0.00754  -0.01139   1.84870
   A167       1.85639  -0.00042  -0.00323  -0.01297  -0.01623   1.84016
   A168       1.93017   0.00018  -0.00209  -0.00171  -0.00381   1.92637
   A169       1.96272  -0.00103  -0.00113   0.00174   0.00058   1.96330
   A170       1.96136   0.00002   0.00395   0.00042   0.00436   1.96571
   A171       1.86164   0.00039  -0.00212  -0.00014  -0.00227   1.85936
   A172       1.86842  -0.00013  -0.00165  -0.00687  -0.00852   1.85990
   A173       1.87406   0.00064   0.00284   0.00629   0.00909   1.88315
   A174       1.91476   0.00004   0.00029  -0.00056  -0.00027   1.91449
   A175       2.24887  -0.00036   0.00204  -0.00483  -0.00279   2.24607
   A176       2.11932   0.00032  -0.00237   0.00538   0.00301   2.12234
   A177       1.58098  -0.00008  -0.00085  -0.00013  -0.00098   1.57999
    D1        0.90876   0.00046   0.03911   0.05663   0.09575   1.00452
    D2        3.06119   0.00032   0.03339   0.04679   0.08017   3.14136
    D3       -1.16505   0.00040   0.03547   0.05076   0.08619  -1.07885
    D4        2.99842   0.00026   0.03841   0.04810   0.08654   3.08496
    D5       -1.13234   0.00012   0.03269   0.03826   0.07096  -1.06138
    D6        0.92461   0.00020   0.03477   0.04223   0.07698   1.00159
    D7       -1.16604   0.00032   0.03821   0.05076   0.08900  -1.07704
    D8        0.98638   0.00018   0.03249   0.04093   0.07342   1.05980
    D9        3.04333   0.00027   0.03457   0.04490   0.07944   3.12277
   D10        0.85196   0.00015   0.03428   0.05497   0.08927   0.94123
   D11        2.95095   0.00016   0.03364   0.05512   0.08877   3.03972
   D12       -1.23882  -0.00009   0.03259   0.04430   0.07692  -1.16190
   D13       -1.32613   0.00031   0.03905   0.06426   0.10332  -1.22280
   D14        0.77286   0.00032   0.03842   0.06441   0.10283   0.87569
   D15        2.86628   0.00008   0.03737   0.05359   0.09097   2.95725
   D16        2.91837   0.00040   0.04417   0.06960   0.11375   3.03212
   D17       -1.26582   0.00041   0.04353   0.06975   0.11325  -1.15257
   D18        0.82760   0.00017   0.04248   0.05893   0.10139   0.92899
   D19        2.63431  -0.00006  -0.02663  -0.04038  -0.06703   2.56727
   D20       -0.52756  -0.00008  -0.02381  -0.04351  -0.06734  -0.59490
   D21       -1.47699  -0.00022  -0.02978  -0.04771  -0.07747  -1.55446
   D22        1.64433  -0.00024  -0.02696  -0.05085  -0.07778   1.56655
   D23        0.57353  -0.00032  -0.03485  -0.05300  -0.08784   0.48568
   D24       -2.58834  -0.00034  -0.03203  -0.05613  -0.08815  -2.67649
   D25        3.12250   0.00001   0.00377  -0.00035   0.00342   3.12592
   D26       -0.00049   0.00002   0.00122   0.00251   0.00373   0.00323
   D27       -3.12426   0.00000  -0.00272  -0.00017  -0.00289  -3.12714
   D28       -0.00031  -0.00002  -0.00016  -0.00293  -0.00309  -0.00340
   D29        3.14143  -0.00003  -0.00110  -0.00235  -0.00345   3.13799
   D30        0.00137  -0.00001  -0.00207  -0.00060  -0.00267  -0.00130
   D31        1.92195   0.00022   0.05379   0.11176   0.16555   2.08750
   D32       -2.21232   0.00026   0.05449   0.11308   0.16756  -2.04475
   D33       -0.19297   0.00036   0.05365   0.11645   0.17011  -0.02286
   D34       -1.22139   0.00021   0.05489   0.10977   0.16467  -1.05672
   D35        0.92753   0.00025   0.05560   0.11109   0.16669   1.09422
   D36        2.94688   0.00035   0.05476   0.11446   0.16923   3.11611
   D37       -0.00156   0.00000   0.00188  -0.00164   0.00024  -0.00132
   D38       -3.11979  -0.00001   0.00377  -0.00120   0.00257  -3.11722
   D39       -3.14144   0.00001   0.00079   0.00032   0.00111  -3.14032
   D40        0.02352   0.00001   0.00268   0.00076   0.00344   0.02696
   D41       -1.37774   0.00056   0.04577   0.07431   0.11908  -1.25867
   D42        1.51467  -0.00041  -0.04763  -0.05477  -0.10137   1.41330
   D43        2.75541   0.00047   0.04550   0.07438   0.11887   2.87428
   D44       -0.63537  -0.00050  -0.04790  -0.05470  -0.10157  -0.73694
   D45        0.74811   0.00059   0.04687   0.07111   0.11694   0.86505
   D46       -2.64266  -0.00038  -0.04653  -0.05797  -0.10350  -2.74617
   D47       -0.66664  -0.00087  -0.07162  -0.10852  -0.18021  -0.84685
   D48       -2.76244  -0.00035  -0.06529  -0.09256  -0.15802  -2.92046
   D49        1.44437  -0.00092  -0.07137  -0.11093  -0.18246   1.26191
   D50        2.70625   0.00012   0.01584   0.01250   0.02854   2.73479
   D51        0.61046   0.00064   0.02217   0.02847   0.05073   0.66119
   D52       -1.46592   0.00007   0.01609   0.01010   0.02629  -1.43962
   D53       -3.10083   0.00057   0.02085   0.07530   0.09579  -3.00505
   D54        0.02631   0.00062   0.02688   0.08354   0.11002   0.13633
   D55       -0.20944  -0.00048  -0.07333  -0.05506  -0.12799  -0.33743
   D56        2.91770  -0.00044  -0.06730  -0.04682  -0.11375   2.80396
   D57        2.82856  -0.00028  -0.06566  -0.02926  -0.09241   2.73615
   D58        0.25164   0.00086   0.08266   0.09588   0.17599   0.42764
   D59       -0.32743  -0.00024  -0.05967  -0.02110  -0.07822  -0.40565
   D60       -2.90434   0.00090   0.08865   0.10405   0.19018  -2.71416
   D61       -1.69899  -0.00079  -0.00266   0.03473   0.02959  -1.66940
   D62        2.44249   0.00151   0.02104   0.02765   0.04642   2.48891
   D63        0.37306   0.00041   0.01462   0.03929   0.05156   0.42462
   D64        0.91187  -0.00191  -0.14109  -0.08392  -0.22276   0.68911
   D65       -1.22984   0.00038  -0.11739  -0.09100  -0.20593  -1.43577
   D66        2.98391  -0.00071  -0.12381  -0.07935  -0.20078   2.78313
   D67       -0.41887  -0.00111  -0.02312  -0.07391  -0.09691  -0.51579
   D68        2.65766   0.00078  -0.07899  -0.00126  -0.08007   2.57759
   D69        1.69005  -0.00154  -0.03839  -0.08277  -0.12124   1.56881
   D70       -1.51660   0.00035  -0.09426  -0.01012  -0.10439  -1.62100
   D71       -2.46516  -0.00229  -0.03494  -0.08164  -0.11672  -2.58188
   D72        0.61137  -0.00041  -0.09081  -0.00900  -0.09987   0.51150
   D73        1.23396   0.00007   0.05161  -0.02069   0.03100   1.26496
   D74       -2.85648  -0.00065   0.04861  -0.00221   0.04663  -2.80986
   D75       -0.83222   0.00019   0.05650  -0.00548   0.05112  -0.78110
   D76       -0.85575  -0.00131   0.05756  -0.02710   0.03028  -0.82547
   D77        1.33699  -0.00203   0.05456  -0.00861   0.04591   1.38290
   D78       -2.92193  -0.00119   0.06245  -0.01189   0.05040  -2.87153
   D79       -2.99366   0.00019   0.05318  -0.02898   0.02414  -2.96952
   D80       -0.80092  -0.00053   0.05018  -0.01050   0.03976  -0.76115
   D81        1.22335   0.00031   0.05806  -0.01377   0.04426   1.26760
   D82       -3.03917  -0.00402  -0.00376  -0.10053  -0.10385   3.14017
   D83        0.20288  -0.00221   0.05103  -0.04635   0.00434   0.20722
   D84        0.03777  -0.00216  -0.05941  -0.02851  -0.08757  -0.04981
   D85       -3.00337  -0.00036  -0.00462   0.02567   0.02061  -2.98276
   D86        2.09105   0.00038   0.03027   0.02892   0.05936   2.15041
   D87       -2.04267   0.00101   0.03699   0.03289   0.06996  -1.97271
   D88        0.04292   0.00035   0.02898   0.04689   0.07609   0.11900
   D89       -1.14572  -0.00135  -0.02183  -0.02292  -0.04489  -1.19061
   D90        1.00375  -0.00072  -0.01511  -0.01894  -0.03428   0.96947
   D91        3.08934  -0.00138  -0.02312  -0.00494  -0.02816   3.06118
   D92        1.01552  -0.00084   0.04034   0.04967   0.09001   1.10553
   D93       -1.12830  -0.00065   0.03550   0.05601   0.09155  -1.03675
   D94       -3.10240  -0.00086   0.03320   0.04574   0.07899  -3.02340
   D95       -1.13847   0.00118   0.04904   0.03640   0.08535  -1.05311
   D96        3.00090   0.00137   0.04419   0.04274   0.08689   3.08779
   D97        1.02680   0.00116   0.04189   0.03248   0.07433   1.10113
   D98        3.06077  -0.00011   0.03934   0.03838   0.07771   3.13848
   D99        0.91695   0.00007   0.03449   0.04472   0.07925   0.99620
   D100      -1.05715  -0.00013   0.03219   0.03445   0.06669  -0.99046
   D101       1.16513  -0.00213   0.00466   0.01753   0.02216   1.18730
   D102      -0.98367  -0.00069   0.02678   0.02006   0.04685  -0.93682
   D103      -3.01212  -0.00084   0.02165   0.03084   0.05253  -2.95959
   D104      -2.98702  -0.00107   0.01481   0.01787   0.03260  -2.95441
   D105       1.14737   0.00037   0.03693   0.02040   0.05729   1.20466
   D106      -0.88109   0.00022   0.03180   0.03118   0.06298  -0.81811
   D107      -0.91043  -0.00093   0.01973   0.00638   0.02611  -0.88433
   D108      -3.05924   0.00052   0.04185   0.00891   0.05079  -3.00844
   D109       1.19549   0.00037   0.03672   0.01969   0.05648   1.25197
   D110      -1.57695   0.00012   0.00617   0.02027   0.02645  -1.55049
   D111       1.57243   0.00006   0.00336   0.01246   0.01581   1.58824
   D112       0.54977   0.00001   0.01357   0.01541   0.02899   0.57876
   D113      -2.58404  -0.00005   0.01076   0.00759   0.01835  -2.56569
   D114       2.55251   0.00030   0.01343   0.02701   0.04044   2.59294
   D115      -0.58130   0.00025   0.01061   0.01919   0.02979  -0.55150
   D116      -3.14116  -0.00003  -0.00079  -0.00389  -0.00467   3.13736
   D117      -0.00607  -0.00002  -0.00125  -0.00254  -0.00378  -0.00985
   D118      -0.00728   0.00003   0.00201   0.00387   0.00587  -0.00141
   D119       3.12781   0.00003   0.00155   0.00522   0.00676   3.13456
   D120      -3.14144   0.00002   0.00074   0.00289   0.00363  -3.13781
   D121       0.00942   0.00001  -0.00248   0.00232  -0.00017   0.00925
   D122       0.00789  -0.00004  -0.00208  -0.00488  -0.00694   0.00095
   D123      -3.12443  -0.00005  -0.00529  -0.00545  -0.01074  -3.13517
   D124       0.00105   0.00000  -0.00064  -0.00052  -0.00116  -0.00012
   D125       3.13911   0.00000  -0.00029   0.00018  -0.00011   3.13899
   D126      -3.13405  -0.00001  -0.00018  -0.00187  -0.00205  -3.13611
   D127       0.00401   0.00000   0.00016  -0.00116  -0.00101   0.00300
   D128       0.00461  -0.00002  -0.00067  -0.00183  -0.00250   0.00211
   D129      -3.14140  -0.00001   0.00128  -0.00101   0.00026  -3.14114
   D130      -3.13345  -0.00002  -0.00101  -0.00253  -0.00354  -3.13699
   D131       0.00373  -0.00002   0.00094  -0.00172  -0.00079   0.00294
   D132      -0.00399   0.00001   0.00060   0.00081   0.00141  -0.00257
   D133       3.13463   0.00001   0.00207   0.00121   0.00327   3.13791
   D134      -3.14116   0.00000  -0.00134   0.00000  -0.00134   3.14068
   D135      -0.00254   0.00001   0.00012   0.00040   0.00052  -0.00202
   D136      -0.00228   0.00002   0.00077   0.00255   0.00333   0.00104
   D137       3.13008   0.00003   0.00399   0.00314   0.00712   3.13720
   D138      -3.14091   0.00002  -0.00068   0.00216   0.00148  -3.13944
   D139      -0.00855   0.00003   0.00254   0.00275   0.00527  -0.00328
   D140      -1.30521   0.00010  -0.05838  -0.09506  -0.15349  -1.45870
   D141       2.98336  -0.00006  -0.06135  -0.09442  -0.15582   2.82754
   D142       0.79223  -0.00001  -0.05865  -0.08581  -0.14447   0.64776
   D143       0.84815  -0.00062  -0.07506  -0.09231  -0.16730   0.68085
   D144      -1.14646  -0.00078  -0.07803  -0.09167  -0.16963  -1.31609
   D145       2.94560  -0.00073  -0.07533  -0.08306  -0.15829   2.78731
   D146       2.88352  -0.00067  -0.07542  -0.11078  -0.18626   2.69726
   D147       0.88891  -0.00083  -0.07840  -0.11013  -0.18859   0.70031
   D148      -1.30222  -0.00077  -0.07569  -0.10152  -0.17725  -1.47946
   D149       2.29428  -0.00039  -0.03287  -0.01939  -0.05226   2.24202
   D150      -1.90432  -0.00022  -0.03171  -0.02118  -0.05290  -1.95722
   D151       0.18107  -0.00041  -0.03400  -0.03176  -0.06575   0.11531
   D152      -1.05188  -0.00042  -0.02598  -0.01285  -0.03885  -1.09073
   D153       3.08566  -0.00059  -0.02929  -0.01682  -0.04611   3.03956
   D154       1.07183  -0.00045  -0.02630  -0.01330  -0.03961   1.03223
   D155      -3.06430   0.00035  -0.02476  -0.01627  -0.04103  -3.10534
   D156       1.07324   0.00018  -0.02806  -0.02024  -0.04829   1.02495
   D157      -0.94059   0.00033  -0.02507  -0.01672  -0.04180  -0.98238
   D158       1.14404   0.00003  -0.02529  -0.01284  -0.03813   1.10590
   D159      -1.00160  -0.00014  -0.02860  -0.01681  -0.04539  -1.04700
   D160      -3.01543   0.00001  -0.02561  -0.01329  -0.03890  -3.05433
   D161       3.05485  -0.00008  -0.01602  -0.01974  -0.03576   3.01909
   D162      -1.07305  -0.00020  -0.01909  -0.02668  -0.04578  -1.11883
   D163       0.92606  -0.00022  -0.01940  -0.02619  -0.04559   0.88046
   D164      -1.10849  -0.00016  -0.01776  -0.02042  -0.03821  -1.14670
   D165       1.04680  -0.00028  -0.02083  -0.02737  -0.04822   0.99857
   D166       3.04590  -0.00030  -0.02113  -0.02687  -0.04804   2.99786
   D167       0.94521   0.00008  -0.01161  -0.01167  -0.02324   0.92197
   D168       3.10049  -0.00005  -0.01468  -0.01862  -0.03326   3.06724
   D169      -1.18359  -0.00007  -0.01498  -0.01812  -0.03307  -1.21666
   D170       1.12827   0.00007   0.00700   0.01075   0.01775   1.14602
   D171      -2.14723   0.00004  -0.01099   0.01236   0.00136  -2.14587
   D172      -1.02327   0.00022   0.00698   0.01230   0.01930  -1.00397
   D173       1.98441   0.00019  -0.01101   0.01391   0.00291   1.98732
   D174      -3.11544  -0.00010   0.00043   0.00158   0.00199  -3.11344
   D175      -0.10775  -0.00013  -0.01756   0.00319  -0.01439  -0.12215
   D176       1.71239   0.00000   0.01089   0.00859   0.01948   1.73187
   D177      -1.42748   0.00001   0.01214   0.00929   0.02144  -1.40605
   D178      -0.43056   0.00011   0.01316   0.01440   0.02755  -0.40301
   D179       2.71275   0.00012   0.01441   0.01510   0.02950   2.74226
   D180      -2.44797   0.00013   0.01412   0.01545   0.02958  -2.41839
   D181       0.69534   0.00014   0.01537   0.01616   0.03154   0.72688
   D182      -3.14030   0.00000   0.00048   0.00028   0.00076  -3.13953
   D183       0.00296   0.00002   0.00037   0.00155   0.00192   0.00488
   D184      -0.00042   0.00000  -0.00076  -0.00041  -0.00117  -0.00159
   D185      -3.14035   0.00001  -0.00087   0.00085  -0.00002  -3.14037
   D186       3.14065  -0.00001  -0.00067  -0.00064  -0.00130   3.13935
   D187      -0.00299  -0.00001  -0.00135  -0.00110  -0.00245  -0.00543
   D188       0.00078   0.00000   0.00057   0.00006   0.00063   0.00140
   D189       3.14032   0.00000  -0.00011  -0.00041  -0.00052   3.13980
   D190       0.00022   0.00001   0.00040   0.00051   0.00092   0.00114
   D191      -3.14093   0.00001   0.00056   0.00094   0.00150  -3.13943
   D192       3.14016  -0.00001   0.00051  -0.00075  -0.00024   3.13992
   D193      -0.00100   0.00000   0.00067  -0.00032   0.00035  -0.00065
   D194      -0.00038   0.00000   0.00015  -0.00026  -0.00010  -0.00048
   D195      -3.14047   0.00000   0.00007  -0.00001   0.00006  -3.14042
   D196       3.14077  -0.00001  -0.00001  -0.00068  -0.00069   3.14009
   D197       0.00068   0.00000  -0.00009  -0.00044  -0.00053   0.00015
   D198       0.00074   0.00000  -0.00035  -0.00010  -0.00045   0.00030
   D199      -3.13956   0.00000  -0.00021  -0.00015  -0.00036  -3.13992
   D200       3.14084   0.00000  -0.00026  -0.00035  -0.00061   3.14023
   D201       0.00053  -0.00001  -0.00013  -0.00039  -0.00052   0.00001
   D202      -0.00094   0.00000  -0.00002   0.00020   0.00018  -0.00076
   D203      -3.14050   0.00001   0.00066   0.00067   0.00134  -3.13916
   D204       3.13937   0.00000  -0.00015   0.00025   0.00010   3.13946
   D205      -0.00019   0.00001   0.00053   0.00072   0.00126   0.00107
   D206      -0.09367   0.00054   0.00397   0.06211   0.06607  -0.02760
   D207       3.07710   0.00001   0.02416   0.01796   0.04214   3.11925
   D208      -3.09877   0.00059   0.02219   0.06057   0.08273  -3.01604
   D209       0.07200   0.00006   0.04238   0.01641   0.05880   0.13080
   D210       2.82589   0.00030  -0.05164   0.03316  -0.01844   2.80745
   D211      -0.28888  -0.00017  -0.03310  -0.00728  -0.04042  -0.32929
   D212      -1.49665   0.00036  -0.02982   0.02601  -0.00374  -1.50039
   D213       2.71372  -0.00011  -0.03442   0.01531  -0.01911   2.69462
   D214       0.66939   0.00010  -0.03970   0.01917  -0.02060   0.64879
   D215      -0.18945  -0.00016  -0.02594  -0.01474  -0.04068  -0.23013
   D216       2.95131  -0.00028  -0.03959  -0.02922  -0.06883   2.88248
   D217       1.75442   0.00024  -0.01532   0.00147  -0.01386   1.74056
   D218      -1.38800   0.00012  -0.02897  -0.01301  -0.04201  -1.43001
   D219      -2.31237  -0.00022  -0.02277  -0.01683  -0.03955  -2.35193
   D220       0.82839  -0.00034  -0.03642  -0.03131  -0.06770   0.76068
   D221       3.13773  -0.00012  -0.01525  -0.01255  -0.02777   3.10997
   D222      -0.00604  -0.00017  -0.01391  -0.01547  -0.02933  -0.03538
   D223      -0.00310  -0.00001  -0.00278   0.00068  -0.00211  -0.00522
   D224       3.13631  -0.00006  -0.00143  -0.00224  -0.00368   3.13263
   D225      -3.14141   0.00010   0.01253   0.01086   0.02342  -3.11799
   D226      -0.00050   0.00000   0.00140  -0.00093   0.00047  -0.00002
   D227       0.00648   0.00001   0.00310   0.00007   0.00318   0.00966
   D228      -3.13315   0.00006   0.00188   0.00272   0.00463  -3.12852
   D229      -0.00664  -0.00001  -0.00186  -0.00081  -0.00266  -0.00930
   D230       3.13777  -0.00002  -0.00188  -0.00115  -0.00303   3.13474
   D231       0.00423   0.00000   0.00028   0.00102   0.00130   0.00553
   D232      -3.14000   0.00001   0.00031   0.00132   0.00164  -3.13837
   D233       0.15908  -0.00062   0.01455   0.00294   0.01748   0.17656
   D234       2.26179   0.00008   0.02421   0.03177   0.05608   2.31788
   D235      -1.93878  -0.00041   0.02029   0.01221   0.03257  -1.90621
   D236      -2.01549   0.00023   0.01309  -0.01739  -0.00431  -2.01979
   D237       0.08723   0.00094   0.02274   0.01145   0.03429   0.12152
   D238       2.16984   0.00044   0.01882  -0.00811   0.01078   2.18062
   D239       2.20323  -0.00030   0.01382  -0.00473   0.00891   2.21215
   D240      -1.97724   0.00041   0.02347   0.02410   0.04752  -1.92972
   D241       0.10537  -0.00009   0.01955   0.00454   0.02400   0.12938
   D242       2.85088   0.00018   0.04219   0.03594   0.07818   2.92906
   D243      -1.35316   0.00012   0.03731   0.03575   0.07310  -1.28006
   D244       0.76404   0.00021   0.04309   0.04556   0.08870   0.85274
   D245      -1.23326   0.00064   0.04486   0.06292   0.10777  -1.12549
   D246       0.84588   0.00058   0.03998   0.06272   0.10270   0.94858
   D247       2.96308   0.00068   0.04576   0.07253   0.11830   3.08138
   D248       0.84039   0.00008   0.03730   0.04117   0.07842   0.91881
   D249       2.91953   0.00002   0.03243   0.04097   0.07335   2.99288
   D250      -1.24646   0.00012   0.03820   0.05078   0.08895  -1.15751
   D251       0.00104   0.00001  -0.00097   0.00247   0.00150   0.00255
   D252       3.12131   0.00001  -0.00263   0.00192  -0.00072   3.12059
         Item               Value     Threshold  Converged?
 Maximum Force            0.004017     0.000450     NO 
 RMS     Force            0.000645     0.000300     NO 
 Maximum Displacement     1.344266     0.001800     NO 
 RMS     Displacement     0.250274     0.001200     NO 
 Predicted change in Energy=-3.370754D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.645518   -2.637215   -0.209729
      2          6           0       -9.330488   -1.322899   -0.926626
      3          6           0      -10.323644   -0.218080   -0.540856
      4          6           0       -7.937530   -0.851543   -0.638167
      5          7           0       -7.151806   -0.190479   -1.458041
      6          6           0       -5.902000    0.123527   -0.869323
      7          6           0       -4.913704    0.879656   -1.721545
      8          7           0       -4.539966    2.188206   -1.141890
      9          6           0       -5.589952    3.234896   -1.198091
     10          6           0       -3.575235    2.319675   -0.123552
     11          8           0       -3.391698    3.399156    0.433278
     12          7           0       -2.816858    1.167838    0.245140
     13          6           0       -1.507790    1.456112    0.888227
     14          6           0       -0.404798    1.414928   -0.191572
     15          8           0       -0.511603    0.695217   -1.183357
     16          7           0        0.678128    2.263134   -0.026330
     17          6           0        1.789872    2.295245   -1.009670
     18          6           0        1.962284    3.730918   -1.549277
     19          6           0        2.357928    4.722312   -0.491459
     20          6           0        1.372404    5.395025    0.247933
     21          6           0        1.736839    6.313613    1.235594
     22          6           0        3.087877    6.569192    1.494538
     23          6           0        4.073088    5.903112    0.758749
     24          6           0        3.712375    4.983622   -0.229118
     25          6           0        3.104116    1.761383   -0.390739
     26          6           0        3.039469    0.257938   -0.087198
     27          8           0        2.396983    0.124487    1.196888
     28          6           0        4.454785   -0.371708    0.104226
     29          6           0        5.299510   -0.262075   -1.178506
     30          6           0        6.714823   -0.711844   -0.949091
     31          6           0        7.119479   -2.002711   -1.323604
     32          6           0        8.434675   -2.418083   -1.106693
     33          6           0        9.357570   -1.549397   -0.512809
     34          6           0        8.958883   -0.262777   -0.137332
     35          6           0        7.643770    0.156299   -0.353062
     36          7           0        4.281387   -1.786181    0.531815
     37          6           0        3.717927   -2.729848   -0.299094
     38          8           0        3.272083   -2.588205   -1.424403
     39          8           0        3.714823   -3.961187    0.360242
     40          6           0        2.790886   -4.954492   -0.166485
     41          6           0        1.457704   -4.759964    0.451318
     42          6           0        1.097164   -4.007622    1.535323
     43          7           0       -0.277865   -4.004814    1.846156
     44          6           0       -0.969844   -4.752542    1.023085
     45         16           0        0.040628   -5.517099   -0.227655
     46          6           0       -1.268852    0.389846    2.007880
     47          6           0       -0.933697   -1.008676    1.470255
     48          6           0       -0.210232    0.884586    2.999439
     49          6           0       -5.734787   -0.303064    0.416888
     50         16           0       -7.165885   -1.128690    0.950127
     51          1           0      -10.668512   -2.962030   -0.435100
     52          1           0       -8.970404   -3.439936   -0.529828
     53          1           0       -9.575904   -2.553725    0.881644
     54          1           0       -9.401621   -1.487362   -2.040039
     55          1           0      -10.386836   -0.082285    0.544755
     56          1           0      -10.032729    0.748042   -0.976804
     57          1           0      -11.329199   -0.449396   -0.907343
     58          1           0       -3.999891    0.259434   -1.886837
     59          1           0       -5.348742    1.055525   -2.738748
     60          1           0       -6.011313    3.286786   -2.214495
     61          1           0       -5.139280    4.216784   -0.954915
     62          1           0       -6.409941    3.038493   -0.486347
     63          1           0       -2.717408    0.429031   -0.465659
     64          1           0       -1.567223    2.483344    1.355280
     65          1           0        0.834475    2.754246    0.854320
     66          1           0        1.490795    1.638843   -1.883998
     67          1           0        1.011499    4.047202   -2.031850
     68          1           0        2.709988    3.720127   -2.369899
     69          1           0        0.317139    5.205708    0.049168
     70          1           0        0.964530    6.832232    1.802161
     71          1           0        3.369168    7.284411    2.264191
     72          1           0        5.123996    6.103993    0.957289
     73          1           0        4.487607    4.475543   -0.796868
     74          1           0        3.339058    2.306382    0.547293
     75          1           0        3.944693    1.974071   -1.082568
     76          1           0        2.467470   -0.303478   -0.866115
     77          1           0        1.653343   -0.514529    1.142101
     78          1           0        4.959515    0.160653    0.955284
     79          1           0        4.823986   -0.859571   -1.991938
     80          1           0        5.283590    0.785299   -1.549287
     81          1           0        6.405395   -2.683755   -1.788261
     82          1           0        8.744682   -3.419343   -1.400542
     83          1           0       10.381716   -1.875874   -0.346278
     84          1           0        9.674163    0.416940    0.323662
     85          1           0        7.338613    1.159251   -0.061305
     86          1           0        4.712721   -2.075938    1.410993
     87          1           0        3.268975   -5.903044    0.139041
     88          1           0        2.753693   -4.875192   -1.277213
     89          1           0        1.764330   -3.425433    2.168382
     90          1           0       -2.037409   -4.917830    1.055381
     91          1           0       -2.241547    0.303006    2.563790
     92          1           0       -0.735399   -1.029982    0.389984
     93          1           0       -0.069532   -1.458338    1.975419
     94          1           0       -1.764764   -1.705306    1.637543
     95          1           0       -0.196345    0.247352    3.893227
     96          1           0        0.805760    0.856338    2.579072
     97          1           0       -0.402739    1.906467    3.347065
     98          1           0       -4.888033   -0.164267    1.067359
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0671415      0.0274028      0.0207828
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3534.2044454964 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.240923828945     A.U. after   19 cycles
             Convg  =    0.7789D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000429616    0.000591439   -0.001356350
      2        6          -0.000562106   -0.002454205   -0.001041192
      3        6          -0.000727132   -0.000160087   -0.000499528
      4        6          -0.001183602   -0.000394816    0.000111843
      5        7           0.002112543    0.001924605    0.002227490
      6        6          -0.002295529   -0.001208766   -0.001196989
      7        6           0.003014921    0.000813342    0.003512303
      8        7          -0.002309280    0.003361951   -0.002419421
      9        6           0.001474651   -0.000145999    0.000026451
     10        6           0.004039202   -0.006196954   -0.001974715
     11        8          -0.000436168    0.001823439    0.000666725
     12        7          -0.005799022    0.000736842   -0.001487067
     13        6          -0.003130661   -0.002268906    0.005451139
     14        6          -0.000030444    0.003421861   -0.000143427
     15        8           0.000883595   -0.003634456    0.000231442
     16        7           0.001535030   -0.001735426    0.002938303
     17        6          -0.003355957    0.003665511    0.001638147
     18        6          -0.000908891   -0.002163716   -0.000909187
     19        6          -0.000040622   -0.001554762   -0.000119717
     20        6           0.000566545    0.000102470    0.000000218
     21        6          -0.000857359    0.000066869   -0.000053905
     22        6           0.000740425    0.000337819    0.000108093
     23        6           0.000867486   -0.000530436    0.000137314
     24        6          -0.000316489    0.000512780   -0.000309462
     25        6           0.002408269    0.002473304    0.001428885
     26        6           0.000985781    0.001602149   -0.002110257
     27        8           0.000037121   -0.000586121   -0.001712275
     28        6           0.001243134   -0.001298708    0.000207578
     29        6          -0.000939249    0.000494534    0.000717656
     30        6          -0.001433873   -0.000834692    0.000352100
     31        6           0.001548886    0.001229124   -0.000371999
     32        6          -0.000697221   -0.001570742   -0.000178844
     33        6           0.000148075    0.000640729    0.000134839
     34        6          -0.000074748    0.000034584    0.000028780
     35        6           0.001382649    0.000350612   -0.000460965
     36        7          -0.002505329   -0.001160565    0.002245917
     37        6           0.000457756    0.004689295   -0.006675713
     38        8           0.000228793   -0.003061833    0.003517076
     39        8          -0.000554397   -0.000285241    0.002887978
     40        6           0.003457747    0.001418909   -0.002169528
     41        6           0.000021522    0.000436366   -0.000635417
     42        6          -0.002220933   -0.001742703   -0.000074662
     43        7          -0.000167474    0.002958468    0.002133287
     44        6          -0.001745148    0.000708976   -0.000360117
     45       16           0.001004540   -0.001672548    0.000451585
     46        6           0.000046311    0.000070700   -0.000782754
     47        6           0.001059044   -0.001434011   -0.003215819
     48        6          -0.000302748    0.001028730   -0.001491856
     49        6           0.001869419    0.000805876   -0.000306085
     50       16           0.000361508    0.001012960   -0.001531775
     51        1           0.000133693    0.000474232    0.000245411
     52        1          -0.000118224   -0.000182483    0.000473955
     53        1           0.000165062    0.000115881   -0.000160461
     54        1           0.000478887    0.000419230    0.000818126
     55        1           0.000061047   -0.000023589    0.000005842
     56        1           0.000160112    0.000216311    0.000341902
     57        1           0.000376411    0.000131568    0.000437484
     58        1          -0.000170436    0.000152810   -0.000140441
     59        1          -0.000136422   -0.000221869   -0.000568263
     60        1          -0.000267485   -0.000103833   -0.000185516
     61        1           0.000580215   -0.000340177    0.000085691
     62        1          -0.000064869   -0.000218487   -0.000447800
     63        1           0.001048555    0.003624432    0.001704078
     64        1          -0.001142638   -0.000617699    0.001409704
     65        1          -0.000196846    0.000750143   -0.000809135
     66        1          -0.000742960   -0.001082242    0.001237795
     67        1           0.000191646    0.000022403   -0.000313053
     68        1           0.000606656    0.000029444   -0.000072159
     69        1           0.000020686    0.000058857   -0.000184752
     70        1           0.000009324   -0.000165419    0.000013363
     71        1          -0.000099437   -0.000023818   -0.000072960
     72        1          -0.000409470    0.000031932   -0.000058618
     73        1          -0.000069154    0.000294406   -0.000236868
     74        1           0.000730540   -0.000383626   -0.000111595
     75        1           0.000536349   -0.000093535   -0.000081040
     76        1           0.000999719   -0.001416342    0.000250069
     77        1           0.000415243    0.000255047    0.000041332
     78        1          -0.001095991    0.000113470    0.000356578
     79        1           0.000187929    0.000261937   -0.000136622
     80        1           0.000126157   -0.000020207   -0.000029580
     81        1          -0.000052844   -0.000470609   -0.000099391
     82        1           0.000046698    0.000294112    0.000078723
     83        1          -0.000001840   -0.000208667   -0.000052645
     84        1          -0.000109218    0.000149865    0.000092077
     85        1          -0.000472908   -0.000075351    0.000185658
     86        1           0.001260070    0.000377763   -0.001183762
     87        1          -0.001751240   -0.000481329    0.001861129
     88        1          -0.000876375   -0.000710012    0.000110185
     89        1          -0.000061703    0.000520429    0.000013768
     90        1           0.000990097    0.000363919    0.000148679
     91        1           0.000589910   -0.001026184   -0.000927050
     92        1           0.000050747   -0.000956520   -0.000060740
     93        1           0.000690893   -0.000956006   -0.000886267
     94        1           0.000427767   -0.000239721   -0.000018907
     95        1          -0.000199135    0.000118406   -0.000018923
     96        1           0.000329647   -0.000243487   -0.000977543
     97        1          -0.000170614    0.001217290   -0.000040344
     98        1          -0.001475209   -0.000951228    0.000396758
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006675713 RMS     0.001416201

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.014662355 RMS     0.002173275
 Search for a local minimum.
 Step number  11 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   10   11
 DE= -1.61D-03 DEPred=-3.37D-03 R= 4.77D-01
 Trust test= 4.77D-01 RLast= 1.20D+00 DXMaxT set to 1.20D+00
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00116   0.00321   0.00362   0.00431   0.00511
     Eigenvalues ---    0.00588   0.00634   0.00652   0.00680   0.00803
     Eigenvalues ---    0.00886   0.00902   0.00919   0.00936   0.00990
     Eigenvalues ---    0.01030   0.01089   0.01157   0.01214   0.01263
     Eigenvalues ---    0.01270   0.01324   0.01363   0.01395   0.01439
     Eigenvalues ---    0.01462   0.01489   0.01532   0.01556   0.01597
     Eigenvalues ---    0.01622   0.01692   0.01746   0.01874   0.01920
     Eigenvalues ---    0.01957   0.01969   0.02072   0.02093   0.02179
     Eigenvalues ---    0.02194   0.02203   0.02218   0.02220   0.02258
     Eigenvalues ---    0.02269   0.02289   0.02328   0.02374   0.02406
     Eigenvalues ---    0.02408   0.02413   0.02448   0.02457   0.02482
     Eigenvalues ---    0.02485   0.02527   0.02528   0.02610   0.02701
     Eigenvalues ---    0.02732   0.03158   0.03410   0.03927   0.04102
     Eigenvalues ---    0.04182   0.04255   0.04327   0.04493   0.04612
     Eigenvalues ---    0.04791   0.04889   0.04951   0.04954   0.05019
     Eigenvalues ---    0.05127   0.05172   0.05192   0.05337   0.05452
     Eigenvalues ---    0.05502   0.05537   0.05548   0.05592   0.05668
     Eigenvalues ---    0.05739   0.05791   0.05804   0.05837   0.05935
     Eigenvalues ---    0.06059   0.06137   0.06335   0.06479   0.06725
     Eigenvalues ---    0.06810   0.07155   0.07197   0.07493   0.07596
     Eigenvalues ---    0.07993   0.08629   0.09437   0.09699   0.10178
     Eigenvalues ---    0.11924   0.12491   0.12878   0.12980   0.13027
     Eigenvalues ---    0.13336   0.13969   0.14201   0.15791   0.15894
     Eigenvalues ---    0.15935   0.15996   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16002   0.16008   0.16012   0.16043
     Eigenvalues ---    0.16065   0.16098   0.16168   0.16303   0.16853
     Eigenvalues ---    0.16930   0.17170   0.17283   0.17846   0.18031
     Eigenvalues ---    0.18083   0.18374   0.19197   0.20289   0.20580
     Eigenvalues ---    0.21266   0.21788   0.21862   0.21988   0.22000
     Eigenvalues ---    0.22000   0.22002   0.22037   0.22080   0.22102
     Eigenvalues ---    0.22546   0.22813   0.23120   0.23395   0.23462
     Eigenvalues ---    0.23482   0.23695   0.23747   0.24233   0.24767
     Eigenvalues ---    0.24928   0.24966   0.24995   0.24997   0.25000
     Eigenvalues ---    0.25000   0.25008   0.25030   0.25093   0.25473
     Eigenvalues ---    0.28117   0.29065   0.29417   0.29652   0.29759
     Eigenvalues ---    0.29908   0.30115   0.30226   0.30331   0.30485
     Eigenvalues ---    0.30803   0.31106   0.31333   0.31410   0.31432
     Eigenvalues ---    0.31502   0.31525   0.31561   0.31627   0.31873
     Eigenvalues ---    0.31997   0.32139   0.32391   0.32447   0.32565
     Eigenvalues ---    0.32643   0.32774   0.32791   0.32821   0.32930
     Eigenvalues ---    0.32985   0.33051   0.33061   0.33065   0.33153
     Eigenvalues ---    0.33193   0.33248   0.33446   0.33564   0.33603
     Eigenvalues ---    0.33643   0.33678   0.33770   0.33965   0.33988
     Eigenvalues ---    0.34015   0.34162   0.34190   0.34242   0.34333
     Eigenvalues ---    0.34353   0.34372   0.34464   0.34501   0.34581
     Eigenvalues ---    0.34712   0.34751   0.35461   0.36063   0.36251
     Eigenvalues ---    0.36313   0.36376   0.36626   0.36828   0.36948
     Eigenvalues ---    0.37204   0.38391   0.39080   0.39369   0.40199
     Eigenvalues ---    0.41431   0.41694   0.42080   0.42540   0.42986
     Eigenvalues ---    0.43289   0.43746   0.44220   0.44623   0.45110
     Eigenvalues ---    0.45480   0.46556   0.47571   0.48297   0.48373
     Eigenvalues ---    0.48513   0.48633   0.48952   0.49942   0.50351
     Eigenvalues ---    0.50526   0.50941   0.51254   0.51414   0.56394
     Eigenvalues ---    0.58367   0.59523   0.62286   0.65159   0.70740
     Eigenvalues ---    0.75986   0.78415   0.842651000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-6.70392420D-03 EMin= 1.16159208D-03
 Quartic linear search produced a step of -0.31958.
 Iteration  1 RMS(Cart)=  0.21865472 RMS(Int)=  0.00799713
 Iteration  2 RMS(Cart)=  0.14516734 RMS(Int)=  0.00202564
 Iteration  3 RMS(Cart)=  0.00621654 RMS(Int)=  0.00039601
 Iteration  4 RMS(Cart)=  0.00000856 RMS(Int)=  0.00039599
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00039599
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89110  -0.00040   0.00066  -0.00244  -0.00178   2.88932
    R2        2.07252   0.00043   0.00063  -0.00092  -0.00029   2.07223
    R3        2.07234   0.00014  -0.00005   0.00048   0.00043   2.07277
    R4        2.07260  -0.00016   0.00063  -0.00191  -0.00128   2.07132
    R5        2.90047  -0.00027  -0.00114   0.00252   0.00138   2.90185
    R6        2.83189  -0.00098  -0.00153   0.00374   0.00221   2.83410
    R7        2.13112  -0.00029   0.00087  -0.00289  -0.00202   2.12910
    R8        2.07094   0.00004   0.00106  -0.00293  -0.00187   2.06907
    R9        2.07704  -0.00042  -0.00076   0.00172   0.00096   2.07800
   R10        2.06919   0.00032   0.00073  -0.00153  -0.00081   2.06839
   R11        2.48307  -0.00230  -0.00119   0.00263   0.00144   2.48452
   R12        3.37776  -0.00143  -0.00215   0.00085  -0.00130   3.37646
   R13        2.67728   0.00148   0.00237  -0.00670  -0.00433   2.67296
   R14        2.85013  -0.00138  -0.00197   0.00440   0.00242   2.85256
   R15        2.58021  -0.00027  -0.00042   0.00156   0.00114   2.58134
   R16        2.79525   0.00143  -0.00226   0.00561   0.00335   2.79860
   R17        2.11029   0.00015   0.00052  -0.00146  -0.00095   2.10934
   R18        2.11691   0.00028   0.00048  -0.00116  -0.00067   2.11623
   R19        2.80367   0.00188  -0.00035   0.00212   0.00177   2.80545
   R20        2.66244   0.00377  -0.00230   0.00782   0.00552   2.66796
   R21        2.08154   0.00002  -0.00097   0.00262   0.00165   2.08319
   R22        2.09269   0.00020   0.00022  -0.00051  -0.00028   2.09241
   R23        2.08516  -0.00031   0.00054  -0.00170  -0.00116   2.08400
   R24        2.32138  -0.00198  -0.00003  -0.00029  -0.00032   2.32106
   R25        2.69761   0.00498  -0.00632   0.01675   0.01044   2.70805
   R26        2.80948   0.00291  -0.00456   0.01255   0.00798   2.81747
   R27        1.94647   0.00278  -0.00664   0.01597   0.00933   1.95580
   R28        2.91793  -0.00308   0.00050  -0.00455  -0.00405   2.91388
   R29        2.95646  -0.00860  -0.00674   0.00825   0.00151   2.95797
   R30        2.13537  -0.00034   0.00116  -0.00309  -0.00193   2.13344
   R31        2.32446  -0.00371  -0.00243   0.00387   0.00143   2.32590
   R32        2.61813  -0.00326   0.00028  -0.00137  -0.00109   2.61704
   R33        2.80544  -0.00008  -0.00008  -0.00202  -0.00210   2.80335
   R34        1.92824  -0.00098  -0.00289   0.00600   0.00311   1.93135
   R35        2.91659   0.00321   0.00470  -0.00659  -0.00189   2.91469
   R36        2.92470  -0.00335  -0.00245   0.00214  -0.00031   2.92439
   R37        2.14195  -0.00122  -0.00361   0.00802   0.00441   2.14636
   R38        2.83986   0.00085  -0.00039   0.00178   0.00139   2.84125
   R39        2.10168   0.00032   0.00104  -0.00250  -0.00146   2.10022
   R40        2.09802  -0.00044  -0.00102   0.00195   0.00093   2.09895
   R41        2.65269   0.00018   0.00042  -0.00082  -0.00040   2.65229
   R42        2.65346  -0.00035  -0.00019  -0.00011  -0.00030   2.65316
   R43        2.64027  -0.00012  -0.00019  -0.00002  -0.00021   2.64006
   R44        2.06052   0.00005  -0.00007   0.00013   0.00006   2.06058
   R45        2.64405  -0.00060  -0.00037   0.00037   0.00001   2.64405
   R46        2.05835   0.00008   0.00036  -0.00097  -0.00061   2.05774
   R47        2.64271  -0.00001  -0.00021   0.00034   0.00013   2.64283
   R48        2.05540   0.00001   0.00020  -0.00050  -0.00030   2.05510
   R49        2.63984   0.00042   0.00038   0.00001   0.00039   2.64023
   R50        2.05640   0.00032   0.00030  -0.00040  -0.00009   2.05631
   R51        2.05405   0.00020  -0.00016   0.00065   0.00050   2.05455
   R52        2.90100   0.00041  -0.00176   0.00379   0.00203   2.90303
   R53        2.09762   0.00042  -0.00140   0.00367   0.00228   2.09989
   R54        2.09618  -0.00038   0.00149  -0.00355  -0.00206   2.09412
   R55        2.72506  -0.00081  -0.00088   0.00114   0.00026   2.72532
   R56        2.94956   0.00341   0.00014   0.00312   0.00325   2.95281
   R57        2.11200  -0.00122  -0.00230   0.00442   0.00213   2.11413
   R58        1.85573   0.00043  -0.00138   0.00327   0.00188   1.85761
   R59        2.90980   0.00014   0.00179  -0.00466  -0.00287   2.90693
   R60        2.81159   0.00332   0.00105  -0.00055   0.00050   2.81209
   R61        2.12328   0.00011  -0.00034   0.00111   0.00077   2.12405
   R62        2.83964  -0.00025   0.00025  -0.00036  -0.00011   2.83954
   R63        2.10838   0.00030  -0.00144   0.00416   0.00272   2.11109
   R64        2.09983   0.00006   0.00050  -0.00149  -0.00099   2.09884
   R65        2.65259  -0.00067  -0.00012  -0.00064  -0.00076   2.65183
   R66        2.65361  -0.00053  -0.00074   0.00185   0.00112   2.65473
   R67        2.63840   0.00066   0.00065  -0.00035   0.00030   2.63871
   R68        2.06114  -0.00047  -0.00134   0.00291   0.00157   2.06271
   R69        2.64497  -0.00061  -0.00074   0.00096   0.00023   2.64520
   R70        2.05709   0.00022   0.00045  -0.00091  -0.00046   2.05663
   R71        2.64246  -0.00016  -0.00002   0.00006   0.00004   2.64250
   R72        2.05555   0.00003   0.00034  -0.00078  -0.00045   2.05510
   R73        2.64000   0.00015   0.00054  -0.00171  -0.00117   2.63883
   R74        2.05812  -0.00011  -0.00020   0.00030   0.00010   2.05821
   R75        2.05638  -0.00029  -0.00052   0.00099   0.00048   2.05686
   R76        2.60371   0.00308   0.00086   0.00158   0.00244   2.60615
   R77        1.92989  -0.00150  -0.00208   0.00377   0.00169   1.93159
   R78        2.30296  -0.00456  -0.00280   0.00488   0.00208   2.30503
   R79        2.63949   0.00481   0.00353  -0.00562  -0.00209   2.63740
   R80        2.75002   0.00150   0.00271  -0.00693  -0.00422   2.74581
   R81        2.80094  -0.00182  -0.00154   0.00255   0.00101   2.80195
   R82        2.08870   0.00232   0.00486  -0.00889  -0.00403   2.08466
   R83        2.10549  -0.00036  -0.00295   0.00711   0.00416   2.10965
   R84        2.58490  -0.00115  -0.00066   0.00134   0.00069   2.58559
   R85        3.29613  -0.00018   0.00098  -0.00432  -0.00334   3.29279
   R86        2.66400   0.00150   0.00299  -0.00827  -0.00528   2.65872
   R87        2.05695  -0.00047  -0.00145   0.00277   0.00132   2.05828
   R88        2.47502  -0.00063  -0.00129   0.00377   0.00248   2.47750
   R89        3.36454  -0.00245  -0.00072  -0.00339  -0.00412   3.36042
   R90        2.04236   0.00106   0.00196  -0.00327  -0.00132   2.04104
   R91        2.90135  -0.00545  -0.00199   0.00038  -0.00160   2.89975
   R92        2.89605  -0.00234  -0.00033  -0.00139  -0.00171   2.89434
   R93        2.12350   0.00011  -0.00011   0.00046   0.00035   2.12385
   R94        2.07592  -0.00053   0.00037  -0.00144  -0.00107   2.07485
   R95        2.07368  -0.00078  -0.00036   0.00055   0.00019   2.07387
   R96        2.07350   0.00010  -0.00088   0.00201   0.00114   2.07463
   R97        2.07450  -0.00004  -0.00059   0.00156   0.00096   2.07546
   R98        2.07848  -0.00004  -0.00021   0.00188   0.00167   2.08015
   R99        2.07194  -0.00102  -0.00081   0.00126   0.00045   2.07239
   R100       3.28075  -0.00005   0.00108  -0.00407  -0.00299   3.27776
   R101       2.03474   0.00168   0.00096  -0.00100  -0.00004   2.03470
    A1        1.92859   0.00037   0.00102  -0.00186  -0.00084   1.92775
    A2        1.94475   0.00044   0.00097  -0.00165  -0.00068   1.94406
    A3        1.96906  -0.00024   0.00114  -0.00318  -0.00204   1.96702
    A4        1.87283  -0.00028   0.00130  -0.00427  -0.00297   1.86986
    A5        1.86109  -0.00012  -0.00285   0.00706   0.00422   1.86530
    A6        1.88294  -0.00020  -0.00178   0.00427   0.00249   1.88544
    A7        1.94697   0.00003  -0.00002  -0.00048  -0.00048   1.94649
    A8        1.95133  -0.00005   0.00200  -0.00397  -0.00197   1.94936
    A9        1.90114  -0.00063  -0.00692   0.01342   0.00649   1.90763
   A10        1.90358   0.00021   0.00271  -0.00527  -0.00255   1.90103
   A11        1.88842   0.00019   0.00110  -0.00219  -0.00107   1.88735
   A12        1.86977   0.00026   0.00104  -0.00143  -0.00039   1.86939
   A13        1.95572  -0.00002  -0.00030   0.00019  -0.00011   1.95561
   A14        1.94095   0.00020   0.00178  -0.00394  -0.00216   1.93880
   A15        1.93696  -0.00003   0.00030  -0.00115  -0.00085   1.93611
   A16        1.87471  -0.00006  -0.00069   0.00191   0.00122   1.87593
   A17        1.88051  -0.00017  -0.00310   0.00831   0.00521   1.88571
   A18        1.87130   0.00006   0.00191  -0.00510  -0.00319   1.86811
   A19        2.20677  -0.00050  -0.00137   0.00115  -0.00023   2.20655
   A20        2.12181   0.00027   0.00100   0.00082   0.00182   2.12363
   A21        1.95444   0.00024   0.00037  -0.00196  -0.00159   1.95285
   A22        1.96030   0.00039   0.00051  -0.00011   0.00040   1.96070
   A23        2.04246   0.00023   0.00030   0.00153   0.00182   2.04428
   A24        2.01554  -0.00064  -0.00128   0.00240   0.00112   2.01666
   A25        2.22518   0.00041   0.00098  -0.00393  -0.00295   2.22223
   A26        1.96887   0.00183  -0.00493   0.01198   0.00705   1.97592
   A27        1.91921  -0.00046   0.00206  -0.00475  -0.00269   1.91652
   A28        1.91487  -0.00012   0.00147  -0.00302  -0.00154   1.91332
   A29        1.92045  -0.00051   0.00103  -0.00209  -0.00106   1.91940
   A30        1.89133  -0.00097   0.00293  -0.00834  -0.00541   1.88592
   A31        1.84479   0.00011  -0.00236   0.00572   0.00336   1.84815
   A32        2.01578  -0.00052   0.00770  -0.01745  -0.00767   2.00812
   A33        2.13981   0.00091   0.00959  -0.01985  -0.00829   2.13152
   A34        2.03325  -0.00054   0.00461  -0.01037  -0.00356   2.02969
   A35        1.91655  -0.00030   0.00272  -0.00581  -0.00308   1.91347
   A36        1.90625   0.00058   0.00239  -0.00390  -0.00149   1.90475
   A37        1.95618   0.00045  -0.00399   0.00821   0.00422   1.96040
   A38        1.89287  -0.00014   0.00322  -0.00811  -0.00487   1.88800
   A39        1.89580   0.00003   0.00119  -0.00330  -0.00211   1.89369
   A40        1.89505  -0.00064  -0.00549   0.01258   0.00709   1.90214
   A41        2.10823   0.00051   0.00256  -0.00543  -0.00286   2.10537
   A42        2.06594  -0.00066  -0.00295   0.00617   0.00323   2.06917
   A43        2.10901   0.00015   0.00036  -0.00074  -0.00038   2.10863
   A44        2.00759   0.00150   0.01285  -0.01820  -0.00203   2.00556
   A45        2.03959  -0.00114   0.02048  -0.03384  -0.00912   2.03048
   A46        1.93110   0.00156   0.02097  -0.03018  -0.00516   1.92594
   A47        1.89791  -0.00032  -0.00614   0.01852   0.01243   1.91034
   A48        1.88798   0.00185   0.00769  -0.01308  -0.00537   1.88261
   A49        1.88467   0.00089  -0.00104   0.00640   0.00539   1.89005
   A50        1.95325  -0.00067   0.00368  -0.01231  -0.00865   1.94460
   A51        1.92928   0.00010  -0.00255   0.00034  -0.00225   1.92703
   A52        1.90900  -0.00174  -0.00169   0.00060  -0.00112   1.90788
   A53        2.11464   0.00396   0.00393  -0.00211   0.00184   2.11647
   A54        2.04723  -0.00744  -0.00310  -0.00472  -0.00781   2.03942
   A55        2.12028   0.00345  -0.00109   0.00696   0.00588   2.12616
   A56        2.11716   0.00600  -0.00162   0.01221   0.01108   2.12823
   A57        2.11457  -0.00282   0.00533  -0.01539  -0.00958   2.10498
   A58        2.03366  -0.00282   0.00067  -0.00510  -0.00393   2.02973
   A59        1.91278  -0.00468  -0.00201  -0.00100  -0.00301   1.90977
   A60        1.94289   0.00335   0.00108  -0.00258  -0.00149   1.94139
   A61        1.87634   0.00185   0.00215   0.00255   0.00469   1.88103
   A62        1.94532  -0.00039  -0.00213   0.00150  -0.00063   1.94468
   A63        1.87389   0.00118   0.00440  -0.00889  -0.00448   1.86941
   A64        1.91005  -0.00130  -0.00323   0.00828   0.00504   1.91509
   A65        1.97901   0.00183   0.00455  -0.00749  -0.00293   1.97608
   A66        1.89731  -0.00056  -0.00287   0.00520   0.00232   1.89963
   A67        1.90140  -0.00027   0.00112  -0.00146  -0.00032   1.90108
   A68        1.92079  -0.00072  -0.00038  -0.00103  -0.00141   1.91937
   A69        1.92772  -0.00049  -0.00043   0.00069   0.00028   1.92800
   A70        1.83153   0.00007  -0.00263   0.00515   0.00252   1.83406
   A71        2.09680  -0.00026  -0.00023  -0.00005  -0.00027   2.09652
   A72        2.10393  -0.00012  -0.00070   0.00198   0.00128   2.10521
   A73        2.08245   0.00038   0.00092  -0.00193  -0.00101   2.08144
   A74        2.09936  -0.00029  -0.00090   0.00206   0.00115   2.10051
   A75        2.09467   0.00009   0.00023  -0.00082  -0.00059   2.09408
   A76        2.08915   0.00020   0.00068  -0.00124  -0.00057   2.08858
   A77        2.09761   0.00020   0.00052  -0.00094  -0.00042   2.09719
   A78        2.08954   0.00005   0.00013   0.00012   0.00025   2.08980
   A79        2.09603  -0.00025  -0.00065   0.00082   0.00017   2.09620
   A80        2.08965   0.00004   0.00000  -0.00014  -0.00013   2.08952
   A81        2.09531   0.00009   0.00058  -0.00150  -0.00092   2.09439
   A82        2.09822  -0.00013  -0.00058   0.00164   0.00106   2.09928
   A83        2.09863   0.00007   0.00021  -0.00037  -0.00016   2.09847
   A84        2.09029   0.00024   0.00108  -0.00220  -0.00112   2.08917
   A85        2.09427  -0.00031  -0.00129   0.00257   0.00128   2.09555
   A86        2.09866  -0.00040  -0.00075   0.00133   0.00057   2.09924
   A87        2.09832  -0.00005  -0.00055   0.00115   0.00060   2.09892
   A88        2.08619   0.00046   0.00129  -0.00247  -0.00117   2.08502
   A89        1.96182   0.01057  -0.00036   0.01546   0.01513   1.97695
   A90        1.92657  -0.00396   0.00014  -0.00259  -0.00244   1.92414
   A91        1.90491  -0.00303  -0.00565   0.00537  -0.00023   1.90468
   A92        1.89934  -0.00040   0.00624  -0.00963  -0.00341   1.89593
   A93        1.92092  -0.00551  -0.00442   0.00031  -0.00410   1.91682
   A94        1.84681   0.00173   0.00416  -0.01055  -0.00644   1.84038
   A95        1.86029   0.00365  -0.00055   0.00583   0.00532   1.86561
   A96        1.96182  -0.01261   0.00068  -0.02116  -0.02050   1.94132
   A97        1.95595   0.00231  -0.00297   0.00629   0.00324   1.95920
   A98        1.83119   0.00442  -0.00064   0.00836   0.00775   1.83894
   A99        1.92419  -0.00236  -0.00066   0.00505   0.00436   1.92855
   A100       1.92508   0.00469   0.00407  -0.00348   0.00053   1.92560
   A101       1.92616   0.00008   0.00026   0.00005   0.00030   1.92646
   A102       1.94610  -0.00517   0.00119  -0.00818  -0.00703   1.93907
   A103       1.88923   0.01466   0.00187   0.02406   0.02595   1.91518
   A104       1.88503  -0.00251   0.00388  -0.01399  -0.01019   1.87485
   A105       1.95092  -0.00819  -0.00348  -0.00342  -0.00689   1.94403
   A106       1.92924   0.00307  -0.00249   0.00076  -0.00178   1.92746
   A107       1.85992  -0.00133  -0.00079   0.00119   0.00047   1.86039
   A108       1.94788   0.00009   0.00054  -0.00073  -0.00019   1.94769
   A109       1.91284  -0.00004   0.00069  -0.00163  -0.00093   1.91190
   A110       1.91476  -0.00016  -0.00187   0.00433   0.00246   1.91722
   A111       1.93098   0.00017   0.00183  -0.00415  -0.00232   1.92867
   A112       1.92470  -0.00005  -0.00174   0.00327   0.00154   1.92624
   A113       1.82905  -0.00002   0.00050  -0.00106  -0.00056   1.82849
   A114       2.10138  -0.00071  -0.00134   0.00299   0.00164   2.10303
   A115       2.09767   0.00000  -0.00030   0.00039   0.00009   2.09776
   A116       2.08413   0.00071   0.00164  -0.00338  -0.00174   2.08239
   A117       2.09867  -0.00057  -0.00142   0.00279   0.00137   2.10005
   A118       2.09341   0.00015   0.00072  -0.00160  -0.00087   2.09253
   A119       2.09110   0.00041   0.00070  -0.00120  -0.00050   2.09060
   A120       2.09717   0.00019   0.00064  -0.00126  -0.00061   2.09655
   A121       2.09436  -0.00032  -0.00150   0.00300   0.00150   2.09587
   A122       2.09165   0.00013   0.00085  -0.00174  -0.00089   2.09076
   A123       2.09093  -0.00005  -0.00012   0.00007  -0.00005   2.09088
   A124       2.09381   0.00024   0.00090  -0.00127  -0.00037   2.09344
   A125       2.09844  -0.00019  -0.00077   0.00120   0.00043   2.09887
   A126       2.09780   0.00011   0.00034  -0.00050  -0.00016   2.09764
   A127       2.09515  -0.00024  -0.00054   0.00031  -0.00023   2.09492
   A128       2.09024   0.00013   0.00020   0.00018   0.00039   2.09062
   A129       2.09767  -0.00040  -0.00108   0.00227   0.00119   2.09886
   A130       2.09220   0.00063   0.00258  -0.00576  -0.00318   2.08902
   A131       2.09331  -0.00024  -0.00149   0.00348   0.00199   2.09530
   A132       2.12407   0.00238  -0.00002   0.00136   0.00050   2.12457
   A133       2.05774  -0.00224   0.00025  -0.00714  -0.00774   2.05000
   A134       2.09158  -0.00080   0.00041  -0.00495  -0.00541   2.08617
   A135       2.24832   0.00016   0.00274  -0.00712  -0.00672   2.24160
   A136       1.89655  -0.00052  -0.00391   0.00870   0.00243   1.89898
   A137       2.13831   0.00040   0.00105  -0.00096  -0.00229   2.13602
   A138       2.01782   0.00790  -0.00119   0.01466   0.01347   2.03129
   A139       1.90776   0.00970  -0.00114   0.01894   0.01779   1.92554
   A140       1.78350  -0.00349  -0.00598   0.00661   0.00070   1.78420
   A141       1.91075  -0.00425  -0.00230   0.00203  -0.00031   1.91044
   A142       1.96760  -0.00466  -0.00117  -0.00808  -0.00924   1.95836
   A143       1.95644   0.00179   0.00613  -0.00741  -0.00134   1.95511
   A144       1.92953   0.00056   0.00304  -0.00992  -0.00689   1.92263
   A145       2.26475   0.00189   0.00079  -0.00058   0.00020   2.26495
   A146       2.10776  -0.00231  -0.00130   0.00253   0.00121   2.10898
   A147       1.91038   0.00045   0.00060  -0.00175  -0.00115   1.90923
   A148       2.01852  -0.00178  -0.00159   0.00166   0.00005   2.01857
   A149       2.20622   0.00068   0.00345  -0.00926  -0.00585   2.20037
   A150       2.05843   0.00110  -0.00186   0.00756   0.00567   2.06410
   A151       1.95588   0.00143   0.00086   0.00072   0.00158   1.95746
   A152       1.96792  -0.00085   0.00001  -0.00253  -0.00253   1.96539
   A153       2.20237   0.00033   0.00042  -0.00196  -0.00153   2.20084
   A154       2.11289   0.00052  -0.00043   0.00450   0.00407   2.11695
   A155       1.57203   0.00076   0.00014   0.00195   0.00209   1.57412
   A156       1.98619  -0.00123  -0.00678   0.00952   0.00273   1.98892
   A157       1.92679  -0.00167  -0.00199   0.00071  -0.00125   1.92554
   A158       1.84888   0.00079   0.00143  -0.00054   0.00084   1.84973
   A159       1.94962   0.00147   0.00136  -0.00594  -0.00450   1.94512
   A160       1.86690   0.00057   0.00759  -0.01213  -0.00454   1.86236
   A161       1.87843   0.00021  -0.00104   0.00832   0.00731   1.88573
   A162       1.98387  -0.00048  -0.00260   0.00396   0.00140   1.98526
   A163       1.96489  -0.00155  -0.00136  -0.00150  -0.00283   1.96206
   A164       1.93863  -0.00013   0.00266  -0.00607  -0.00342   1.93521
   A165       1.87821   0.00082  -0.00706   0.01696   0.00997   1.88818
   A166       1.84870   0.00066   0.00364  -0.00475  -0.00111   1.84758
   A167       1.84016   0.00093   0.00519  -0.00927  -0.00409   1.83607
   A168       1.92637   0.00037   0.00122  -0.00088   0.00034   1.92671
   A169       1.96330  -0.00012  -0.00019  -0.00239  -0.00257   1.96073
   A170       1.96571  -0.00105  -0.00139   0.00162   0.00024   1.96595
   A171       1.85936   0.00028   0.00073   0.00035   0.00107   1.86044
   A172       1.85990   0.00046   0.00272  -0.00588  -0.00316   1.85674
   A173       1.88315   0.00015  -0.00290   0.00704   0.00415   1.88729
   A174       1.91449  -0.00040   0.00009  -0.00141  -0.00133   1.91316
   A175       2.24607  -0.00021   0.00089  -0.00399  -0.00310   2.24298
   A176       2.12234   0.00062  -0.00096   0.00546   0.00450   2.12683
   A177       1.57999   0.00041   0.00031   0.00108   0.00140   1.58139
    D1        1.00452  -0.00004  -0.03060   0.05288   0.02227   1.02679
    D2        3.14136   0.00021  -0.02562   0.04283   0.01721  -3.12462
    D3       -1.07885   0.00011  -0.02755   0.04722   0.01969  -1.05917
    D4        3.08496   0.00013  -0.02766   0.04523   0.01756   3.10252
    D5       -1.06138   0.00038  -0.02268   0.03517   0.01250  -1.04889
    D6        1.00159   0.00028  -0.02460   0.03957   0.01498   1.01656
    D7       -1.07704   0.00001  -0.02844   0.04729   0.01884  -1.05820
    D8        1.05980   0.00027  -0.02346   0.03724   0.01378   1.07358
    D9        3.12277   0.00016  -0.02539   0.04164   0.01625   3.13903
   D10        0.94123   0.00026  -0.02853   0.03967   0.01114   0.95236
   D11        3.03972   0.00032  -0.02837   0.03950   0.01113   3.05084
   D12       -1.16190   0.00051  -0.02458   0.02974   0.00515  -1.15675
   D13       -1.22280   0.00016  -0.03302   0.04880   0.01577  -1.20703
   D14        0.87569   0.00022  -0.03286   0.04862   0.01576   0.89145
   D15        2.95725   0.00040  -0.02907   0.03886   0.00979   2.96704
   D16        3.03212  -0.00037  -0.03635   0.05452   0.01817   3.05029
   D17       -1.15257  -0.00031  -0.03619   0.05435   0.01816  -1.13441
   D18        0.92899  -0.00013  -0.03240   0.04459   0.01219   0.94118
   D19        2.56727  -0.00043   0.02142  -0.03239  -0.01097   2.55631
   D20       -0.59490  -0.00046   0.02152  -0.03235  -0.01083  -0.60573
   D21       -1.55446  -0.00027   0.02476  -0.03949  -0.01473  -1.56919
   D22        1.56655  -0.00031   0.02486  -0.03945  -0.01459   1.55196
   D23        0.48568   0.00021   0.02807  -0.04559  -0.01752   0.46816
   D24       -2.67649   0.00017   0.02817  -0.04555  -0.01738  -2.69387
   D25        3.12592  -0.00011  -0.00109   0.00150   0.00041   3.12633
   D26        0.00323  -0.00008  -0.00119   0.00144   0.00024   0.00348
   D27       -3.12714   0.00012   0.00092  -0.00124  -0.00032  -3.12746
   D28       -0.00340   0.00008   0.00099  -0.00118  -0.00019  -0.00359
   D29        3.13799  -0.00011   0.00110  -0.00300  -0.00189   3.13609
   D30       -0.00130   0.00003   0.00085  -0.00105  -0.00020  -0.00150
   D31        2.08750   0.00004  -0.05291   0.06357   0.01066   2.09816
   D32       -2.04475   0.00034  -0.05355   0.06586   0.01231  -2.03245
   D33       -0.02286   0.00013  -0.05436   0.06831   0.01394  -0.00892
   D34       -1.05672  -0.00013  -0.05263   0.06137   0.00875  -1.04797
   D35        1.09422   0.00017  -0.05327   0.06366   0.01039   1.10461
   D36        3.11611  -0.00003  -0.05408   0.06611   0.01203   3.12813
   D37       -0.00132   0.00003  -0.00008   0.00013   0.00005  -0.00127
   D38       -3.11722  -0.00034  -0.00082  -0.00261  -0.00342  -3.12064
   D39       -3.14032   0.00019  -0.00036   0.00230   0.00194  -3.13838
   D40        0.02696  -0.00017  -0.00110  -0.00044  -0.00154   0.02543
   D41       -1.25867   0.00029  -0.03805   0.06328   0.02547  -1.23320
   D42        1.41330  -0.00021   0.03240  -0.05069  -0.01853   1.39477
   D43        2.87428  -0.00004  -0.03799   0.06247   0.02472   2.89899
   D44       -0.73694  -0.00054   0.03246  -0.05151  -0.01928  -0.75622
   D45        0.86505   0.00065  -0.03737   0.06142   0.02429   0.88934
   D46       -2.74617   0.00015   0.03308  -0.05255  -0.01971  -2.76588
   D47       -0.84685  -0.00027   0.05759  -0.09562  -0.03804  -0.88489
   D48       -2.92046  -0.00027   0.05050  -0.07992  -0.02941  -2.94987
   D49        1.26191  -0.00015   0.05831  -0.09836  -0.04004   1.22187
   D50        2.73479  -0.00021  -0.00912   0.01367   0.00454   2.73933
   D51        0.66119  -0.00021  -0.01621   0.02937   0.01317   0.67435
   D52       -1.43962  -0.00008  -0.00840   0.01093   0.00253  -1.43709
   D53       -3.00505   0.00063  -0.03061   0.05634   0.02585  -2.97920
   D54        0.13633   0.00070  -0.03516   0.06697   0.03193   0.16826
   D55       -0.33743   0.00013   0.04090  -0.06048  -0.01970  -0.35713
   D56        2.80396   0.00021   0.03635  -0.04985  -0.01361   2.79034
   D57        2.73615   0.00168   0.02953  -0.02532   0.00352   2.73967
   D58        0.42764  -0.00117  -0.05624   0.07900   0.02346   0.45110
   D59       -0.40565   0.00176   0.02500  -0.01468   0.00961  -0.39604
   D60       -2.71416  -0.00109  -0.06078   0.08964   0.02956  -2.68461
   D61       -1.66940  -0.00050  -0.00946   0.00994   0.00112  -1.66828
   D62        2.48891  -0.00061  -0.01484   0.02170   0.00748   2.49638
   D63        0.42462  -0.00004  -0.01648   0.02462   0.00880   0.43342
   D64        0.68911   0.00092   0.07119  -0.09018  -0.01962   0.66949
   D65       -1.43577   0.00081   0.06581  -0.07842  -0.01326  -1.44903
   D66        2.78313   0.00138   0.06417  -0.07550  -0.01194   2.77119
   D67       -0.51579   0.00123   0.03097  -0.03363  -0.00269  -0.51848
   D68        2.57759   0.00077   0.02559  -0.03025  -0.00467   2.57292
   D69        1.56881   0.00291   0.03875  -0.04536  -0.00664   1.56217
   D70       -1.62100   0.00245   0.03336  -0.04198  -0.00862  -1.62962
   D71       -2.58188   0.00028   0.03730  -0.05291  -0.01559  -2.59747
   D72        0.51150  -0.00018   0.03192  -0.04953  -0.01757   0.49393
   D73        1.26496  -0.00015  -0.00991  -0.00029  -0.01020   1.25476
   D74       -2.80986  -0.00051  -0.01490  -0.00020  -0.01515  -2.82500
   D75       -0.78110  -0.00067  -0.01634   0.00967  -0.00668  -0.78778
   D76       -0.82547  -0.00055  -0.00968  -0.00721  -0.01685  -0.84231
   D77        1.38290  -0.00092  -0.01467  -0.00711  -0.02179   1.36111
   D78       -2.87153  -0.00107  -0.01611   0.00275  -0.01333  -2.88486
   D79       -2.96952   0.00100  -0.00771   0.00028  -0.00742  -2.97694
   D80       -0.76115   0.00063  -0.01271   0.00037  -0.01236  -0.77351
   D81        1.26760   0.00048  -0.01414   0.01024  -0.00390   1.26371
   D82        3.14017   0.00309   0.03319  -0.05636  -0.02325   3.11692
   D83        0.20722   0.00127  -0.00139  -0.00780  -0.00908   0.19814
   D84       -0.04981   0.00265   0.02799  -0.05324  -0.02536  -0.07517
   D85       -2.98276   0.00083  -0.00659  -0.00468  -0.01119  -2.99395
   D86        2.15041  -0.00005  -0.01897   0.02599   0.00699   2.15739
   D87       -1.97271  -0.00154  -0.02236   0.02543   0.00304  -1.96967
   D88        0.11900   0.00000  -0.02432   0.03566   0.01131   0.13031
   D89       -1.19061   0.00163   0.01435  -0.02173  -0.00736  -1.19796
   D90        0.96947   0.00014   0.01096  -0.02230  -0.01130   0.95816
   D91        3.06118   0.00168   0.00900  -0.01206  -0.00303   3.05815
   D92        1.10553  -0.00009  -0.02877   0.03256   0.00380   1.10933
   D93       -1.03675   0.00001  -0.02926   0.03518   0.00592  -1.03083
   D94       -3.02340   0.00036  -0.02524   0.02714   0.00189  -3.02152
   D95       -1.05311  -0.00078  -0.02728   0.03553   0.00826  -1.04485
   D96        3.08779  -0.00068  -0.02777   0.03814   0.01038   3.09817
   D97        1.10113  -0.00033  -0.02376   0.03011   0.00635   1.10749
   D98        3.13848   0.00030  -0.02483   0.03013   0.00530  -3.13940
   D99        0.99620   0.00039  -0.02533   0.03275   0.00742   1.00362
   D100      -0.99046   0.00075  -0.02131   0.02471   0.00339  -0.98707
   D101       1.18730   0.00657  -0.00708   0.04127   0.03419   1.22149
   D102      -0.93682   0.00260  -0.01497   0.04478   0.02981  -0.90701
   D103      -2.95959   0.00452  -0.01679   0.05587   0.03908  -2.92051
   D104      -2.95441   0.00266  -0.01042   0.03920   0.02879  -2.92562
   D105       1.20466  -0.00131  -0.01831   0.04272   0.02441   1.22907
   D106      -0.81811   0.00061  -0.02013   0.05380   0.03367  -0.78444
   D107      -0.88433   0.00305  -0.00834   0.03441   0.02607  -0.85826
   D108      -3.00844  -0.00092  -0.01623   0.03793   0.02169  -2.98675
   D109       1.25197   0.00099  -0.01805   0.04902   0.03095   1.28293
   D110      -1.55049   0.00021  -0.00845   0.01453   0.00608  -1.54442
   D111       1.58824   0.00040  -0.00505   0.00988   0.00482   1.59307
   D112       0.57876   0.00024  -0.00927   0.01526   0.00599   0.58475
   D113      -2.56569   0.00042  -0.00586   0.01060   0.00474  -2.56095
   D114       2.59294  -0.00039  -0.01292   0.02132   0.00839   2.60134
   D115      -0.55150  -0.00020  -0.00952   0.01666   0.00714  -0.54437
   D116       3.13736   0.00007   0.00149  -0.00230  -0.00081   3.13655
   D117      -0.00985   0.00001   0.00121  -0.00234  -0.00114  -0.01099
   D118      -0.00141  -0.00012  -0.00187   0.00229   0.00042  -0.00099
   D119       3.13456  -0.00018  -0.00216   0.00225   0.00009   3.13466
   D120      -3.13781  -0.00006  -0.00116   0.00174   0.00058  -3.13723
   D121       0.00925   0.00001   0.00005   0.00010   0.00016   0.00941
   D122       0.00095   0.00012   0.00222  -0.00288  -0.00066   0.00029
   D123      -3.13517   0.00019   0.00343  -0.00451  -0.00108  -3.13625
   D124      -0.00012   0.00004   0.00037  -0.00030   0.00007  -0.00005
   D125       3.13899   0.00000   0.00004  -0.00001   0.00003   3.13902
   D126      -3.13611   0.00010   0.00066  -0.00026   0.00039  -3.13571
   D127       0.00300   0.00006   0.00032   0.00003   0.00035   0.00335
   D128       0.00211   0.00004   0.00080  -0.00112  -0.00033   0.00178
   D129      -3.14114  -0.00005  -0.00008  -0.00046  -0.00054   3.14150
   D130      -3.13699   0.00008   0.00113  -0.00142  -0.00028  -3.13727
   D131       0.00294  -0.00002   0.00025  -0.00075  -0.00050   0.00244
   D132      -0.00257  -0.00004  -0.00045   0.00054   0.00009  -0.00249
   D133       3.13791  -0.00010  -0.00105   0.00110   0.00006   3.13797
   D134       3.14068   0.00006   0.00043  -0.00012   0.00030   3.14099
   D135      -0.00202   0.00000  -0.00017   0.00044   0.00028  -0.00174
   D136       0.00104  -0.00004  -0.00106   0.00147   0.00041   0.00145
   D137       3.13720  -0.00012  -0.00228   0.00311   0.00083   3.13804
   D138      -3.13944   0.00002  -0.00047   0.00091   0.00044  -3.13900
   D139      -0.00328  -0.00006  -0.00168   0.00255   0.00086  -0.00241
   D140      -1.45870  -0.00055   0.04905  -0.07571  -0.02667  -1.48537
   D141       2.82754  -0.00150   0.04980  -0.07827  -0.02847   2.79907
   D142       0.64776   0.00028   0.04617  -0.06203  -0.01587   0.63189
   D143       0.68085   0.00120   0.05347  -0.07548  -0.02204   0.65881
   D144      -1.31609   0.00024   0.05421  -0.07804  -0.02384  -1.33993
   D145       2.78731   0.00203   0.05059  -0.06180  -0.01124   2.77607
   D146       2.69726   0.00001   0.05953  -0.09342  -0.03388   2.66338
   D147       0.70031  -0.00095   0.06027  -0.09599  -0.03568   0.66463
   D148      -1.47946   0.00083   0.05665  -0.07975  -0.02308  -1.50255
   D149       2.24202   0.00461   0.01670  -0.02182  -0.00512   2.23690
   D150      -1.95722  -0.00593   0.01691  -0.03919  -0.02229  -1.97951
   D151       0.11531   0.00091   0.02101  -0.03599  -0.01497   0.10034
   D152      -1.09073   0.00180   0.01241   0.03117   0.04354  -1.04719
   D153       3.03956   0.00539   0.01473   0.02426   0.03894   3.07850
   D154       1.03223   0.00072   0.01266   0.01774   0.03043   1.06265
   D155      -3.10534   0.00107   0.01311   0.02976   0.04286  -3.06248
   D156       1.02495   0.00466   0.01543   0.02284   0.03826   1.06321
   D157      -0.98238   0.00000   0.01336   0.01633   0.02975  -0.95264
   D158       1.10590  -0.00103   0.01219   0.02081   0.03299   1.13889
   D159      -1.04700   0.00256   0.01451   0.01390   0.02839  -1.01861
   D160      -3.05433  -0.00211   0.01243   0.00738   0.01987  -3.03446
   D161       3.01909  -0.00484   0.01143  -0.03112  -0.01968   2.99941
   D162      -1.11883  -0.00459   0.01463  -0.03804  -0.02340  -1.14223
   D163       0.88046  -0.00472   0.01457  -0.03781  -0.02323   0.85723
   D164      -1.14670   0.00461   0.01221  -0.00836   0.00385  -1.14285
   D165       0.99857   0.00485   0.01541  -0.01528   0.00012   0.99869
   D166       2.99786   0.00472   0.01535  -0.01505   0.00029   2.99816
   D167       0.92197  -0.00031   0.00743  -0.00856  -0.00113   0.92084
   D168       3.06724  -0.00006   0.01063  -0.01548  -0.00485   3.06238
   D169      -1.21666  -0.00020   0.01057  -0.01525  -0.00468  -1.22134
   D170       1.14602   0.00189  -0.00567   0.06440   0.05865   1.20467
   D171      -2.14587  -0.00322  -0.00043  -0.01789  -0.01830  -2.16417
   D172      -1.00397   0.00361  -0.00617   0.06028   0.05404  -0.94993
   D173       1.98732  -0.00150  -0.00093  -0.02201  -0.02291   1.96442
   D174      -3.11344   0.00549  -0.00064   0.06058   0.05993  -3.05351
   D175      -0.12215   0.00038   0.00460  -0.02171  -0.01702  -0.13916
   D176       1.73187   0.00014  -0.00623   0.00869   0.00247   1.73434
   D177      -1.40605   0.00013  -0.00685   0.00964   0.00279  -1.40326
   D178      -0.40301   0.00001  -0.00880   0.01422   0.00542  -0.39759
   D179       2.74226   0.00000  -0.00943   0.01517   0.00574   2.74800
   D180      -2.41839  -0.00004  -0.00945   0.01602   0.00656  -2.41183
   D181       0.72688  -0.00005  -0.01008   0.01696   0.00688   0.73376
   D182      -3.13953   0.00001  -0.00024   0.00046   0.00021  -3.13932
   D183       0.00488  -0.00001  -0.00061   0.00117   0.00055   0.00543
   D184      -0.00159   0.00001   0.00037  -0.00047  -0.00010  -0.00169
   D185      -3.14037   0.00000   0.00001   0.00024   0.00024  -3.14013
   D186       3.13935  -0.00001   0.00042  -0.00075  -0.00034   3.13901
   D187      -0.00543   0.00001   0.00078  -0.00128  -0.00050  -0.00593
   D188       0.00140  -0.00001  -0.00020   0.00017  -0.00003   0.00137
   D189       3.13980   0.00000   0.00017  -0.00036  -0.00019   3.13961
   D190       0.00114  -0.00001  -0.00029   0.00045   0.00015   0.00129
   D191      -3.13943  -0.00002  -0.00048   0.00078   0.00030  -3.13913
   D192       3.13992   0.00001   0.00008  -0.00026  -0.00018   3.13973
   D193      -0.00065   0.00000  -0.00011   0.00007  -0.00004  -0.00069
   D194      -0.00048  -0.00001   0.00003  -0.00011  -0.00008  -0.00056
   D195      -3.14042  -0.00001  -0.00002  -0.00002  -0.00003  -3.14045
   D196       3.14009   0.00000   0.00022  -0.00044  -0.00022   3.13987
   D197       0.00015   0.00000   0.00017  -0.00034  -0.00018  -0.00002
   D198       0.00030   0.00001   0.00014  -0.00019  -0.00005   0.00025
   D199      -3.13992   0.00000   0.00012  -0.00022  -0.00010  -3.14003
   D200       3.14023   0.00001   0.00019  -0.00029  -0.00009   3.14013
   D201       0.00001   0.00000   0.00017  -0.00032  -0.00015  -0.00014
   D202      -0.00076   0.00000  -0.00006   0.00016   0.00010  -0.00066
   D203      -3.13916  -0.00001  -0.00043   0.00070   0.00027  -3.13889
   D204       3.13946   0.00001  -0.00003   0.00019   0.00016   3.13962
   D205       0.00107   0.00000  -0.00040   0.00073   0.00033   0.00139
   D206      -0.02760  -0.00328  -0.02112  -0.01587  -0.03713  -0.06472
   D207       3.11925  -0.01330  -0.01347  -0.15155  -0.16486   2.95439
   D208      -3.01604   0.00204  -0.02644   0.06816   0.04156  -2.97448
   D209       0.13080  -0.00798  -0.01879  -0.06753  -0.08617   0.04463
   D210       2.80745   0.00981   0.00589   0.10745   0.11339   2.92084
   D211      -0.32929   0.00056   0.01292  -0.01789  -0.00503  -0.33433
   D212      -1.50039  -0.00751   0.00120  -0.05583  -0.05465  -1.55505
   D213       2.69462  -0.00466   0.00611  -0.05850  -0.05241   2.64221
   D214       0.64879  -0.00172   0.00658  -0.05139  -0.04477   0.60402
   D215      -0.23013  -0.00035   0.01300  -0.03960  -0.02657  -0.25670
   D216       2.88248   0.00149   0.02200  -0.02991  -0.00787   2.87462
   D217       1.74056  -0.00135   0.00443  -0.02462  -0.02023   1.72032
   D218      -1.43001   0.00049   0.01343  -0.01493  -0.00153  -1.43154
   D219      -2.35193  -0.00287   0.01264  -0.05039  -0.03776  -2.38968
   D220       0.76068  -0.00103   0.02164  -0.04069  -0.01905   0.74164
   D221       3.10997   0.00249   0.00887   0.01287   0.02172   3.13168
   D222      -0.03538   0.00095   0.00937  -0.00239   0.00699  -0.02839
   D223      -0.00522   0.00085   0.00068   0.00398   0.00466  -0.00055
   D224       3.13263  -0.00068   0.00118  -0.01128  -0.01007   3.12256
   D225      -3.11799  -0.00196  -0.00749  -0.00952  -0.01701  -3.13500
   D226      -0.00002  -0.00042  -0.00015  -0.00161  -0.00175  -0.00178
   D227       0.00966  -0.00094  -0.00102  -0.00500  -0.00603   0.00363
   D228      -3.12852   0.00046  -0.00148   0.00894   0.00751  -3.12101
   D229      -0.00930   0.00056   0.00085   0.00354   0.00440  -0.00489
   D230       3.13474   0.00023   0.00097  -0.00049   0.00049   3.13523
   D231       0.00553  -0.00009  -0.00042  -0.00117  -0.00159   0.00394
   D232      -3.13837   0.00023  -0.00052   0.00262   0.00210  -3.13626
   D233       0.17656  -0.00055  -0.00559   0.00356  -0.00203   0.17453
   D234       2.31788  -0.00105  -0.01792   0.02816   0.01020   2.32808
   D235      -1.90621  -0.00098  -0.01041   0.01133   0.00090  -1.90531
   D236      -2.01979   0.00149   0.00138  -0.00018   0.00120  -2.01859
   D237       0.12152   0.00099  -0.01096   0.02442   0.01343   0.13495
   D238       2.18062   0.00106  -0.00345   0.00759   0.00413   2.18475
   D239       2.21215   0.00009  -0.00285   0.00041  -0.00240   2.20975
   D240      -1.92972  -0.00041  -0.01519   0.02501   0.00983  -1.91989
   D241       0.12938  -0.00034  -0.00767   0.00818   0.00053   0.12991
   D242       2.92906   0.00076  -0.02498   0.04385   0.01885   2.94791
   D243      -1.28006   0.00130  -0.02336   0.04214   0.01876  -1.26129
   D244       0.85274   0.00062  -0.02835   0.05083   0.02247   0.87521
   D245      -1.12549  -0.00105  -0.03444   0.05244   0.01801  -1.10748
   D246       0.94858  -0.00052  -0.03282   0.05072   0.01792   0.96649
   D247       3.08138  -0.00119  -0.03781   0.05942   0.02162   3.10300
   D248       0.91881   0.00059  -0.02506   0.03946   0.01440   0.93321
   D249       2.99288   0.00112  -0.02344   0.03774   0.01431   3.00719
   D250      -1.15751   0.00044  -0.02843   0.04644   0.01801  -1.13949
   D251       0.00255  -0.00006  -0.00048   0.00056   0.00007   0.00262
   D252       3.12059   0.00027   0.00023   0.00291   0.00315   3.12374
         Item               Value     Threshold  Converged?
 Maximum Force            0.014662     0.000450     NO 
 RMS     Force            0.002173     0.000300     NO 
 Maximum Displacement     2.390334     0.001800     NO 
 RMS     Displacement     0.360439     0.001200     NO 
 Predicted change in Energy=-5.056504D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        9.763296    2.885059    0.033965
      2          6           0        9.504692    1.594111   -0.743407
      3          6           0       10.525608    0.505176   -0.382867
      4          6           0        8.122839    1.065981   -0.496865
      5          7           0        7.366282    0.425442   -1.360520
      6          6           0        6.122147    0.043936   -0.806176
      7          6           0        5.163580   -0.694011   -1.709058
      8          7           0        4.805217   -2.039539   -1.204720
      9          6           0        5.894823   -3.045825   -1.268921
     10          6           0        3.837195   -2.229530   -0.194727
     11          8           0        3.681091   -3.332377    0.322926
     12          7           0        3.037426   -1.110270    0.206798
     13          6           0        1.734266   -1.464148    0.838817
     14          6           0        0.621413   -1.435301   -0.228127
     15          8           0        0.688087   -0.683719   -1.200532
     16          7           0       -0.419399   -2.335222   -0.070826
     17          6           0       -1.563997   -2.383841   -1.013272
     18          6           0       -1.690862   -3.807476   -1.593042
     19          6           0       -2.007221   -4.845394   -0.552256
     20          6           0       -0.969041   -5.488577    0.139406
     21          6           0       -1.257695   -6.449376    1.111681
     22          6           0       -2.586265   -6.777519    1.403074
     23          6           0       -3.624482   -6.141128    0.715331
     24          6           0       -3.338552   -5.179309   -0.256873
     25          6           0       -2.875592   -1.934602   -0.325726
     26          6           0       -2.907598   -0.433296   -0.001655
     27          8           0       -2.250561   -0.265246    1.271110
     28          6           0       -4.371427    0.066861    0.218886
     29          6           0       -5.229216   -0.159397   -1.037822
     30          6           0       -6.679863    0.133163   -0.777252
     31          6           0       -7.238813    1.361556   -1.161755
     32          6           0       -8.586640    1.630733   -0.915427
     33          6           0       -9.389238    0.675464   -0.280854
     34          6           0       -8.837362   -0.549987    0.105266
     35          6           0       -7.489838   -0.821699   -0.140302
     36          7           0       -4.357918    1.501029    0.615630
     37          6           0       -3.990997    2.494494   -0.267749
     38          8           0       -3.583786    2.379408   -1.411767
     39          8           0       -4.304982    3.733430    0.292870
     40          6           0       -3.737673    4.900447   -0.360960
     41          6           0       -2.406263    5.214843    0.210867
     42          6           0       -1.820831    4.767052    1.363613
     43          7           0       -0.525262    5.253333    1.617563
     44          6           0       -0.111030    6.070054    0.679377
     45         16           0       -1.312869    6.293476   -0.612079
     46          6           0        1.457998   -0.430095    1.980982
     47          6           0        1.088785    0.971357    1.476762
     48          6           0        0.401265   -0.974119    2.947011
     49          6           0        5.926014    0.396007    0.499008
     50         16           0        7.323918    1.233993    1.092463
     51          1           0       10.771707    3.262222   -0.174200
     52          1           0        9.057456    3.673660   -0.254132
     53          1           0        9.693031    2.746759    1.119029
     54          1           0        9.588184    1.801341   -1.847703
     55          1           0       10.563436    0.318006    0.695256
     56          1           0       10.279037   -0.446780   -0.874973
     57          1           0       11.530399    0.786291   -0.713616
     58          1           0        4.240421   -0.084797   -1.859296
     59          1           0        5.620258   -0.814228   -2.724481
     60          1           0        6.328413   -3.058144   -2.282374
     61          1           0        5.475094   -4.049046   -1.060628
     62          1           0        6.700964   -2.837026   -0.545927
     63          1           0        2.904668   -0.364305   -0.498231
     64          1           0        1.825635   -2.497348    1.284598
     65          1           0       -0.527809   -2.858314    0.800472
     66          1           0       -1.328601   -1.689514   -1.880771
     67          1           0       -0.744492   -4.068479   -2.114047
     68          1           0       -2.467029   -3.805011   -2.387557
     69          1           0        0.069360   -5.243022   -0.085153
     70          1           0       -0.444385   -6.943918    1.640521
     71          1           0       -2.807981   -7.525883    2.160357
     72          1           0       -4.657519   -6.399029    0.939816
     73          1           0       -4.155288   -4.694799   -0.786247
     74          1           0       -3.030971   -2.504322    0.615590
     75          1           0       -3.734385   -2.197362   -0.974916
     76          1           0       -2.401378    0.180760   -0.787960
     77          1           0       -1.551357    0.422744    1.207182
     78          1           0       -4.794139   -0.503302    1.090440
     79          1           0       -4.845351    0.477014   -1.871869
     80          1           0       -5.103833   -1.202813   -1.397155
     81          1           0       -6.618477    2.109790   -1.658531
     82          1           0       -9.016658    2.583817   -1.217346
     83          1           0      -10.438868    0.887739   -0.091392
     84          1           0       -9.458758   -1.296568    0.597964
     85          1           0       -7.063145   -1.777269    0.158901
     86          1           0       -4.819564    1.751830    1.492430
     87          1           0       -4.483618    5.680930   -0.134321
     88          1           0       -3.688971    4.722946   -1.462062
     89          1           0       -2.271046    4.093901    2.091977
     90          1           0        0.843271    6.575093    0.651126
     91          1           0        2.424629   -0.326282    2.544878
     92          1           0        0.899021    1.016742    0.396276
     93          1           0        0.215229    1.386149    1.995642
     94          1           0        1.902319    1.683127    1.668637
     95          1           0        0.348072   -0.348316    3.847998
     96          1           0       -0.607246   -0.976498    2.505885
     97          1           0        0.626316   -1.991260    3.289713
     98          1           0        5.073414    0.197905    1.126023
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0610673      0.0265004      0.0195975
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3484.6990445755 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.240521017808     A.U. after   26 cycles
             Convg  =    0.5292D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000671209    0.001429397   -0.001616311
      2        6          -0.000968849   -0.004060195   -0.001637920
      3        6          -0.001409507    0.000336396   -0.001270018
      4        6          -0.001333491   -0.000179857   -0.000146687
      5        7           0.003356720    0.002731019    0.002061498
      6        6          -0.003893488   -0.002555070   -0.001693577
      7        6           0.003504105    0.000356006    0.003494941
      8        7          -0.002445548    0.003611172    0.000165545
      9        6           0.000722747    0.000121831   -0.000800118
     10        6           0.002443486   -0.006097460   -0.001246514
     11        8          -0.000817777    0.002389995    0.001514390
     12        7          -0.007052317    0.000341988   -0.004517224
     13        6          -0.000615247   -0.000314329    0.006820257
     14        6          -0.000195673    0.006760480   -0.001714255
     15        8           0.000821424   -0.005687379    0.000528024
     16        7           0.001512034   -0.002711095    0.004199418
     17        6          -0.003686227    0.005825300    0.002216179
     18        6          -0.001586095   -0.003344605   -0.001291829
     19        6          -0.000227017   -0.001527027   -0.000328818
     20        6           0.000928409    0.000227291   -0.000076769
     21        6          -0.001071721    0.000114019   -0.000015291
     22        6           0.000755744    0.000456631    0.000073482
     23        6           0.001102525   -0.000498917    0.000086693
     24        6          -0.000714930    0.000398837   -0.000244459
     25        6           0.004698645    0.001664793    0.002056091
     26        6          -0.000016887    0.003341394   -0.001651633
     27        8          -0.000769056    0.000448049   -0.002562683
     28        6           0.002699917   -0.001641459    0.001005090
     29        6          -0.003101866    0.001735585    0.000683353
     30        6          -0.001918570   -0.001573320    0.000240497
     31        6           0.001511041    0.002057611   -0.000263584
     32        6          -0.000531531   -0.002016825   -0.000325447
     33        6           0.000164301    0.000970881    0.000191877
     34        6          -0.000262258   -0.000143941    0.000059943
     35        6           0.002215359    0.000703799   -0.000740661
     36        7           0.002046099   -0.001822531    0.003187869
     37        6          -0.011399238    0.005652232   -0.011142868
     38        8           0.005191862   -0.002862649    0.005810036
     39        8           0.003711853   -0.001614859    0.004122588
     40        6           0.004532433    0.004649806   -0.003258425
     41        6          -0.000857069   -0.001269236   -0.001442392
     42        6          -0.003540420   -0.003207478    0.000162584
     43        7           0.002349014    0.002638532    0.000530064
     44        6          -0.001719855   -0.001680651   -0.000347918
     45       16           0.000645997   -0.000186059    0.000043982
     46        6           0.000720391   -0.000216609   -0.001215128
     47        6           0.000582839   -0.000001347    0.000802926
     48        6           0.000427867    0.000708458   -0.000698787
     49        6           0.001690103    0.000828407   -0.000786280
     50       16           0.000754511    0.001156619   -0.000938246
     51        1           0.000387111    0.000341942    0.000453696
     52        1          -0.000153729   -0.000323843    0.000630804
     53        1           0.000221670    0.000090339    0.000213863
     54        1           0.000409650    0.000881965    0.000987905
     55        1           0.000394590   -0.000176678    0.000211827
     56        1           0.000215255    0.000061282    0.000567124
     57        1           0.000677068    0.000091029    0.000703724
     58        1          -0.000255574    0.000249885   -0.000225766
     59        1          -0.000308912    0.000170516   -0.000610647
     60        1          -0.000319184   -0.000135766    0.000044845
     61        1           0.000866448   -0.000575964    0.000322431
     62        1          -0.000150609   -0.000535521   -0.000303496
     63        1           0.002168056    0.001385184    0.001848575
     64        1          -0.000105418   -0.000324684    0.001180924
     65        1          -0.000513369    0.000909538   -0.001225364
     66        1          -0.000361648   -0.002284873    0.002221078
     67        1           0.000325976    0.000335090   -0.000534433
     68        1           0.000896344   -0.000026741   -0.000161643
     69        1           0.000099929    0.000083031   -0.000226739
     70        1           0.000175110   -0.000227462    0.000000238
     71        1          -0.000205206   -0.000126283   -0.000058294
     72        1          -0.000508390    0.000131824   -0.000048324
     73        1           0.000050458    0.000295770   -0.000290466
     74        1           0.000809893   -0.000062098   -0.000142527
     75        1          -0.000275884   -0.000015496   -0.001345602
     76        1           0.001105636   -0.002579086    0.000718025
     77        1          -0.000321181   -0.000047363   -0.000251785
     78        1          -0.001189374   -0.000003537    0.000973665
     79        1           0.000161028   -0.000040782   -0.000392151
     80        1          -0.000022556   -0.000352767   -0.000712071
     81        1          -0.000131591   -0.000744275   -0.000092564
     82        1           0.000090857    0.000437993    0.000103805
     83        1          -0.000088966   -0.000283623   -0.000026147
     84        1          -0.000106328    0.000146467    0.000081431
     85        1          -0.000696757   -0.000222098    0.000252609
     86        1           0.001580338    0.000612480   -0.001038262
     87        1          -0.003143841   -0.000953004    0.002424724
     88        1          -0.000295652   -0.001576783    0.000442715
     89        1           0.000711624    0.000735589   -0.000412948
     90        1           0.001000991    0.000760370    0.000294843
     91        1           0.000495285   -0.001656433   -0.001148693
     92        1          -0.000644769   -0.000985399   -0.000420608
     93        1          -0.000175801    0.000166909   -0.001637902
     94        1           0.000455894    0.000311972   -0.000711836
     95        1          -0.000329853   -0.000023581   -0.000304128
     96        1           0.000526909   -0.000747991   -0.000868530
     97        1          -0.000419801    0.001296390   -0.000165826
     98        1          -0.001385305   -0.000907061    0.000594412
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.011399238 RMS     0.002007758

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.006447598 RMS     0.001118635
 Search for a local minimum.
 Step number  12 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   12   11
 DE=  4.03D-04 DEPred=-5.06D-03 R=-7.97D-02
 Trust test=-7.97D-02 RLast= 3.63D-01 DXMaxT set to 6.00D-01
 Use linear search instead of GDIIS.
 Quartic linear search produced a step of -0.64867.
 Iteration  1 RMS(Cart)=  0.18583117 RMS(Int)=  0.00386090
 Iteration  2 RMS(Cart)=  0.05113371 RMS(Int)=  0.00027167
 Iteration  3 RMS(Cart)=  0.00080907 RMS(Int)=  0.00004419
 Iteration  4 RMS(Cart)=  0.00000011 RMS(Int)=  0.00004419
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.88932   0.00016   0.00115   0.00000   0.00115   2.89048
    R2        2.07223   0.00054   0.00019   0.00000   0.00019   2.07241
    R3        2.07277   0.00017  -0.00028   0.00000  -0.00028   2.07249
    R4        2.07132   0.00011   0.00083   0.00000   0.00083   2.07215
    R5        2.90185  -0.00031  -0.00089   0.00000  -0.00089   2.90095
    R6        2.83410  -0.00159  -0.00143   0.00000  -0.00143   2.83267
    R7        2.12910   0.00003   0.00131   0.00000   0.00131   2.13041
    R8        2.06907   0.00037   0.00121   0.00000   0.00121   2.07028
    R9        2.07800  -0.00057  -0.00062   0.00000  -0.00062   2.07738
   R10        2.06839   0.00052   0.00052   0.00000   0.00052   2.06891
   R11        2.48452  -0.00259  -0.00094   0.00000  -0.00094   2.48358
   R12        3.37646  -0.00136   0.00084   0.00000   0.00084   3.37731
   R13        2.67296   0.00255   0.00281   0.00000   0.00281   2.67576
   R14        2.85256  -0.00239  -0.00157   0.00000  -0.00157   2.85098
   R15        2.58134  -0.00024  -0.00074   0.00000  -0.00074   2.58061
   R16        2.79860   0.00082  -0.00217   0.00000  -0.00217   2.79643
   R17        2.10934   0.00022   0.00061   0.00000   0.00061   2.10995
   R18        2.11623   0.00050   0.00044   0.00000   0.00044   2.11667
   R19        2.80545   0.00156  -0.00115   0.00000  -0.00115   2.80430
   R20        2.66796   0.00205  -0.00358   0.00000  -0.00358   2.66438
   R21        2.08319  -0.00018  -0.00107   0.00000  -0.00107   2.08212
   R22        2.09241   0.00023   0.00018   0.00000   0.00018   2.09259
   R23        2.08400  -0.00026   0.00075   0.00000   0.00075   2.08475
   R24        2.32106  -0.00283   0.00021   0.00000   0.00021   2.32127
   R25        2.70805   0.00056  -0.00677   0.00000  -0.00677   2.70128
   R26        2.81747  -0.00124  -0.00518   0.00000  -0.00518   2.81229
   R27        1.95580   0.00035  -0.00605   0.00000  -0.00605   1.94975
   R28        2.91388  -0.00205   0.00263   0.00000   0.00263   2.91651
   R29        2.95797  -0.00645  -0.00098   0.00000  -0.00098   2.95699
   R30        2.13344  -0.00016   0.00125   0.00000   0.00125   2.13469
   R31        2.32590  -0.00572  -0.00093   0.00000  -0.00093   2.32497
   R32        2.61704  -0.00129   0.00071   0.00000   0.00071   2.61775
   R33        2.80335   0.00018   0.00136   0.00000   0.00136   2.80470
   R34        1.93135  -0.00129  -0.00202   0.00000  -0.00202   1.92933
   R35        2.91469   0.00441   0.00123   0.00000   0.00123   2.91592
   R36        2.92439  -0.00577   0.00020   0.00000   0.00020   2.92459
   R37        2.14636  -0.00254  -0.00286   0.00000  -0.00286   2.14350
   R38        2.84125   0.00066  -0.00090   0.00000  -0.00090   2.84035
   R39        2.10022   0.00066   0.00095   0.00000   0.00095   2.10117
   R40        2.09895  -0.00067  -0.00060   0.00000  -0.00060   2.09835
   R41        2.65229   0.00045   0.00026   0.00000   0.00026   2.65255
   R42        2.65316  -0.00031   0.00019   0.00000   0.00019   2.65335
   R43        2.64006  -0.00003   0.00014   0.00000   0.00014   2.64020
   R44        2.06058   0.00014  -0.00004   0.00000  -0.00004   2.06054
   R45        2.64405  -0.00048   0.00000   0.00000   0.00000   2.64405
   R46        2.05774   0.00025   0.00040   0.00000   0.00040   2.05813
   R47        2.64283  -0.00006  -0.00008   0.00000  -0.00008   2.64275
   R48        2.05510   0.00010   0.00019   0.00000   0.00019   2.05530
   R49        2.64023   0.00021  -0.00025   0.00000  -0.00025   2.63998
   R50        2.05631   0.00033   0.00006   0.00000   0.00006   2.05637
   R51        2.05455   0.00008  -0.00032   0.00000  -0.00032   2.05422
   R52        2.90303  -0.00264  -0.00132   0.00000  -0.00132   2.90171
   R53        2.09989   0.00015  -0.00148   0.00000  -0.00148   2.09842
   R54        2.09412   0.00098   0.00134   0.00000   0.00134   2.09545
   R55        2.72532  -0.00280  -0.00017   0.00000  -0.00017   2.72515
   R56        2.95281   0.00067  -0.00211   0.00000  -0.00211   2.95070
   R57        2.11413  -0.00244  -0.00138   0.00000  -0.00138   2.11275
   R58        1.85761  -0.00031  -0.00122   0.00000  -0.00122   1.85639
   R59        2.90693   0.00269   0.00186   0.00000   0.00186   2.90879
   R60        2.81209  -0.00069  -0.00033   0.00000  -0.00033   2.81176
   R61        2.12405   0.00033  -0.00050   0.00000  -0.00050   2.12355
   R62        2.83954  -0.00020   0.00007   0.00000   0.00007   2.83961
   R63        2.11109   0.00003  -0.00176   0.00000  -0.00176   2.10933
   R64        2.09884   0.00077   0.00064   0.00000   0.00064   2.09948
   R65        2.65183  -0.00050   0.00049   0.00000   0.00049   2.65232
   R66        2.65473  -0.00074  -0.00072   0.00000  -0.00072   2.65400
   R67        2.63871   0.00052  -0.00020   0.00000  -0.00020   2.63851
   R68        2.06271  -0.00075  -0.00102   0.00000  -0.00102   2.06169
   R69        2.64520  -0.00073  -0.00015   0.00000  -0.00015   2.64505
   R70        2.05663   0.00028   0.00030   0.00000   0.00030   2.05693
   R71        2.64250   0.00000  -0.00003   0.00000  -0.00003   2.64247
   R72        2.05510   0.00015   0.00029   0.00000   0.00029   2.05539
   R73        2.63883   0.00042   0.00076   0.00000   0.00076   2.63959
   R74        2.05821  -0.00012  -0.00006   0.00000  -0.00006   2.05815
   R75        2.05686  -0.00038  -0.00031   0.00000  -0.00031   2.05655
   R76        2.60615   0.00114  -0.00158   0.00000  -0.00158   2.60457
   R77        1.93159  -0.00160  -0.00110   0.00000  -0.00110   1.93049
   R78        2.30503  -0.00562  -0.00135   0.00000  -0.00135   2.30369
   R79        2.63740   0.00082   0.00136   0.00000   0.00136   2.63875
   R80        2.74581  -0.00044   0.00274   0.00000   0.00274   2.74854
   R81        2.80195  -0.00211  -0.00066   0.00000  -0.00066   2.80129
   R82        2.08466   0.00375   0.00262   0.00000   0.00262   2.08728
   R83        2.10965  -0.00117  -0.00270   0.00000  -0.00270   2.10695
   R84        2.58559   0.00032  -0.00045   0.00000  -0.00045   2.58514
   R85        3.29279   0.00002   0.00217   0.00000   0.00216   3.29496
   R86        2.65872   0.00270   0.00343   0.00000   0.00343   2.66214
   R87        2.05828  -0.00085  -0.00086   0.00000  -0.00086   2.05742
   R88        2.47750  -0.00110  -0.00161   0.00000  -0.00160   2.47589
   R89        3.36042  -0.00059   0.00267   0.00000   0.00267   3.36309
   R90        2.04104   0.00129   0.00085   0.00000   0.00085   2.04189
   R91        2.89975  -0.00128   0.00104   0.00000   0.00104   2.90079
   R92        2.89434  -0.00165   0.00111   0.00000   0.00111   2.89545
   R93        2.12385   0.00000  -0.00023   0.00000  -0.00023   2.12362
   R94        2.07485  -0.00006   0.00069   0.00000   0.00069   2.07554
   R95        2.07387  -0.00096  -0.00012   0.00000  -0.00012   2.07375
   R96        2.07463   0.00007  -0.00074   0.00000  -0.00074   2.07390
   R97        2.07546  -0.00031  -0.00063   0.00000  -0.00063   2.07484
   R98        2.08015  -0.00027  -0.00108   0.00000  -0.00108   2.07907
   R99        2.07239  -0.00115  -0.00029   0.00000  -0.00029   2.07210
   R100       3.27776   0.00033   0.00194   0.00000   0.00194   3.27970
   R101       2.03470   0.00168   0.00003   0.00000   0.00003   2.03473
    A1        1.92775   0.00050   0.00054   0.00000   0.00054   1.92830
    A2        1.94406   0.00052   0.00044   0.00000   0.00044   1.94451
    A3        1.96702   0.00002   0.00132   0.00000   0.00132   1.96834
    A4        1.86986  -0.00027   0.00193   0.00000   0.00193   1.87179
    A5        1.86530  -0.00040  -0.00274   0.00000  -0.00274   1.86257
    A6        1.88544  -0.00044  -0.00162   0.00000  -0.00162   1.88382
    A7        1.94649   0.00008   0.00031   0.00000   0.00032   1.94681
    A8        1.94936  -0.00002   0.00128   0.00000   0.00128   1.95064
    A9        1.90763  -0.00089  -0.00421   0.00000  -0.00421   1.90342
   A10        1.90103   0.00027   0.00166   0.00000   0.00166   1.90268
   A11        1.88735   0.00028   0.00069   0.00000   0.00069   1.88804
   A12        1.86939   0.00029   0.00025   0.00000   0.00025   1.86964
   A13        1.95561   0.00010   0.00007   0.00000   0.00007   1.95568
   A14        1.93880   0.00033   0.00140   0.00000   0.00140   1.94019
   A15        1.93611   0.00004   0.00055   0.00000   0.00055   1.93666
   A16        1.87593  -0.00018  -0.00079   0.00000  -0.00079   1.87514
   A17        1.88571  -0.00044  -0.00338   0.00000  -0.00338   1.88234
   A18        1.86811   0.00012   0.00207   0.00000   0.00207   1.87018
   A19        2.20655  -0.00065   0.00015   0.00000   0.00015   2.20669
   A20        2.12363  -0.00002  -0.00118   0.00000  -0.00118   2.12245
   A21        1.95285   0.00068   0.00103   0.00000   0.00103   1.95388
   A22        1.96070   0.00012  -0.00026   0.00000  -0.00026   1.96044
   A23        2.04428   0.00007  -0.00118   0.00000  -0.00118   2.04310
   A24        2.01666  -0.00082  -0.00073   0.00000  -0.00073   2.01594
   A25        2.22223   0.00075   0.00191   0.00000   0.00191   2.22414
   A26        1.97592   0.00093  -0.00457   0.00000  -0.00458   1.97134
   A27        1.91652  -0.00015   0.00174   0.00000   0.00174   1.91827
   A28        1.91332   0.00007   0.00100   0.00000   0.00100   1.91432
   A29        1.91940  -0.00028   0.00069   0.00000   0.00069   1.92008
   A30        1.88592  -0.00053   0.00351   0.00000   0.00351   1.88943
   A31        1.84815  -0.00013  -0.00218   0.00000  -0.00218   1.84597
   A32        2.00812  -0.00011   0.00497   0.00000   0.00505   2.01316
   A33        2.13152   0.00109   0.00538   0.00000   0.00545   2.13697
   A34        2.02969  -0.00106   0.00231   0.00000   0.00239   2.03208
   A35        1.91347  -0.00031   0.00200   0.00000   0.00200   1.91547
   A36        1.90475   0.00082   0.00097   0.00000   0.00097   1.90573
   A37        1.96040   0.00020  -0.00274   0.00000  -0.00274   1.95766
   A38        1.88800   0.00002   0.00316   0.00000   0.00316   1.89116
   A39        1.89369   0.00020   0.00137   0.00000   0.00137   1.89506
   A40        1.90214  -0.00094  -0.00460   0.00000  -0.00460   1.89755
   A41        2.10537   0.00171   0.00186   0.00000   0.00186   2.10723
   A42        2.06917  -0.00155  -0.00209   0.00000  -0.00209   2.06708
   A43        2.10863  -0.00016   0.00025   0.00000   0.00025   2.10888
   A44        2.00556   0.00022   0.00132   0.00000   0.00133   2.00689
   A45        2.03048  -0.00056   0.00591   0.00000   0.00593   2.03641
   A46        1.92594   0.00198   0.00335   0.00000   0.00337   1.92931
   A47        1.91034  -0.00167  -0.00806   0.00000  -0.00806   1.90228
   A48        1.88261   0.00203   0.00348   0.00000   0.00347   1.88608
   A49        1.89005   0.00046  -0.00349   0.00000  -0.00349   1.88656
   A50        1.94460  -0.00014   0.00561   0.00000   0.00561   1.95021
   A51        1.92703   0.00073   0.00146   0.00000   0.00148   1.92851
   A52        1.90788  -0.00136   0.00072   0.00000   0.00073   1.90861
   A53        2.11647   0.00140  -0.00119   0.00000  -0.00119   2.11528
   A54        2.03942  -0.00106   0.00507   0.00000   0.00507   2.04448
   A55        2.12616  -0.00031  -0.00381   0.00000  -0.00381   2.12235
   A56        2.12823  -0.00259  -0.00718   0.00000  -0.00718   2.12105
   A57        2.10498   0.00185   0.00622   0.00000   0.00622   2.11120
   A58        2.02973   0.00065   0.00255   0.00000   0.00256   2.03228
   A59        1.90977   0.00048   0.00195   0.00000   0.00196   1.91172
   A60        1.94139  -0.00230   0.00097   0.00000   0.00097   1.94236
   A61        1.88103   0.00054  -0.00304   0.00000  -0.00304   1.87799
   A62        1.94468   0.00185   0.00041   0.00000   0.00041   1.94509
   A63        1.86941   0.00042   0.00291   0.00000   0.00291   1.87231
   A64        1.91509  -0.00093  -0.00327   0.00000  -0.00327   1.91182
   A65        1.97608   0.00249   0.00190   0.00000   0.00190   1.97798
   A66        1.89963  -0.00084  -0.00150   0.00000  -0.00150   1.89812
   A67        1.90108  -0.00034   0.00021   0.00000   0.00021   1.90129
   A68        1.91937  -0.00079   0.00092   0.00000   0.00092   1.92029
   A69        1.92800  -0.00076  -0.00018   0.00000  -0.00018   1.92782
   A70        1.83406   0.00005  -0.00164   0.00000  -0.00164   1.83242
   A71        2.09652  -0.00017   0.00018   0.00000   0.00018   2.09670
   A72        2.10521  -0.00036  -0.00083   0.00000  -0.00083   2.10438
   A73        2.08144   0.00054   0.00066   0.00000   0.00066   2.08210
   A74        2.10051  -0.00053  -0.00075   0.00000  -0.00075   2.09976
   A75        2.09408   0.00024   0.00038   0.00000   0.00038   2.09446
   A76        2.08858   0.00028   0.00037   0.00000   0.00037   2.08895
   A77        2.09719   0.00023   0.00028   0.00000   0.00028   2.09747
   A78        2.08980   0.00003  -0.00016   0.00000  -0.00016   2.08963
   A79        2.09620  -0.00025  -0.00011   0.00000  -0.00011   2.09609
   A80        2.08952   0.00009   0.00009   0.00000   0.00009   2.08960
   A81        2.09439   0.00018   0.00060   0.00000   0.00060   2.09499
   A82        2.09928  -0.00027  -0.00069   0.00000  -0.00069   2.09859
   A83        2.09847   0.00013   0.00010   0.00000   0.00010   2.09857
   A84        2.08917   0.00035   0.00073   0.00000   0.00073   2.08989
   A85        2.09555  -0.00048  -0.00083   0.00000  -0.00083   2.09472
   A86        2.09924  -0.00046  -0.00037   0.00000  -0.00037   2.09886
   A87        2.09892  -0.00008  -0.00039   0.00000  -0.00039   2.09853
   A88        2.08502   0.00054   0.00076   0.00000   0.00076   2.08578
   A89        1.97695  -0.00530  -0.00982   0.00000  -0.00981   1.96714
   A90        1.92414   0.00106   0.00158   0.00000   0.00158   1.92572
   A91        1.90468   0.00110   0.00015   0.00000   0.00015   1.90483
   A92        1.89593   0.00182   0.00221   0.00000   0.00222   1.89815
   A93        1.91682   0.00228   0.00266   0.00000   0.00267   1.91949
   A94        1.84038  -0.00061   0.00418   0.00000   0.00418   1.84456
   A95        1.86561  -0.00235  -0.00345   0.00000  -0.00346   1.86215
   A96        1.94132   0.00426   0.01330   0.00000   0.01330   1.95463
   A97        1.95920  -0.00102  -0.00210   0.00000  -0.00208   1.95711
   A98        1.83894  -0.00071  -0.00503   0.00000  -0.00503   1.83391
   A99        1.92855   0.00050  -0.00283   0.00000  -0.00282   1.92573
   A100       1.92560  -0.00069  -0.00034   0.00000  -0.00033   1.92528
   A101       1.92646  -0.00050  -0.00020   0.00000  -0.00020   1.92627
   A102       1.93907   0.00184   0.00456   0.00000   0.00457   1.94364
   A103       1.91518  -0.00295  -0.01683   0.00000  -0.01684   1.89834
   A104       1.87485   0.00101   0.00661   0.00000   0.00662   1.88147
   A105       1.94403   0.00085   0.00447   0.00000   0.00447   1.94850
   A106       1.92746  -0.00104   0.00116   0.00000   0.00118   1.92863
   A107       1.86039   0.00021  -0.00030   0.00000  -0.00031   1.86008
   A108       1.94769   0.00024   0.00012   0.00000   0.00012   1.94781
   A109       1.91190   0.00006   0.00061   0.00000   0.00061   1.91251
   A110       1.91722  -0.00004  -0.00160   0.00000  -0.00160   1.91563
   A111       1.92867   0.00018   0.00150   0.00000   0.00150   1.93017
   A112       1.92624  -0.00037  -0.00100   0.00000  -0.00100   1.92524
   A113       1.82849  -0.00009   0.00036   0.00000   0.00036   1.82885
   A114       2.10303  -0.00090  -0.00107   0.00000  -0.00107   2.10196
   A115       2.09776  -0.00009  -0.00006   0.00000  -0.00006   2.09770
   A116       2.08239   0.00099   0.00113   0.00000   0.00113   2.08352
   A117       2.10005  -0.00074  -0.00089   0.00000  -0.00089   2.09916
   A118       2.09253   0.00027   0.00057   0.00000   0.00057   2.09310
   A119       2.09060   0.00047   0.00032   0.00000   0.00032   2.09093
   A120       2.09655   0.00029   0.00040   0.00000   0.00040   2.09695
   A121       2.09587  -0.00052  -0.00097   0.00000  -0.00097   2.09489
   A122       2.09076   0.00022   0.00058   0.00000   0.00058   2.09134
   A123       2.09088  -0.00004   0.00003   0.00000   0.00003   2.09091
   A124       2.09344   0.00028   0.00024   0.00000   0.00024   2.09368
   A125       2.09887  -0.00025  -0.00028   0.00000  -0.00028   2.09859
   A126       2.09764   0.00011   0.00010   0.00000   0.00010   2.09774
   A127       2.09492  -0.00022   0.00015   0.00000   0.00015   2.09507
   A128       2.09062   0.00011  -0.00025   0.00000  -0.00025   2.09037
   A129       2.09886  -0.00061  -0.00077   0.00000  -0.00077   2.09809
   A130       2.08902   0.00100   0.00206   0.00000   0.00206   2.09108
   A131       2.09530  -0.00039  -0.00129   0.00000  -0.00129   2.09401
   A132       2.12457  -0.00036  -0.00032   0.00000  -0.00013   2.12444
   A133       2.05000   0.00012   0.00502   0.00000   0.00521   2.05521
   A134       2.08617   0.00043   0.00351   0.00000   0.00371   2.08988
   A135       2.24160   0.00202   0.00436   0.00000   0.00490   2.24650
   A136       1.89898  -0.00219  -0.00158   0.00000  -0.00103   1.89795
   A137       2.13602   0.00099   0.00148   0.00000   0.00203   2.13805
   A138       2.03129  -0.00294  -0.00874   0.00000  -0.00874   2.02255
   A139       1.92554  -0.00272  -0.01154   0.00000  -0.01153   1.91401
   A140       1.78420  -0.00038  -0.00046   0.00000  -0.00046   1.78373
   A141       1.91044   0.00004   0.00020   0.00000   0.00021   1.91065
   A142       1.95836   0.00128   0.00600   0.00000   0.00600   1.96436
   A143       1.95511   0.00158   0.00087   0.00000   0.00088   1.95599
   A144       1.92263  -0.00004   0.00447   0.00000   0.00448   1.92712
   A145       2.26495  -0.00033  -0.00013   0.00000  -0.00012   2.26483
   A146       2.10898   0.00006  -0.00079   0.00000  -0.00077   2.10820
   A147       1.90923   0.00027   0.00075   0.00000   0.00075   1.90998
   A148       2.01857  -0.00109  -0.00003   0.00000  -0.00003   2.01854
   A149       2.20037   0.00098   0.00379   0.00000   0.00380   2.20418
   A150       2.06410   0.00011  -0.00368   0.00000  -0.00367   2.06043
   A151       1.95746   0.00018  -0.00102   0.00000  -0.00102   1.95643
   A152       1.96539   0.00033   0.00164   0.00000   0.00164   1.96704
   A153       2.20084  -0.00019   0.00100   0.00000   0.00100   2.20183
   A154       2.11695  -0.00014  -0.00264   0.00000  -0.00264   2.11431
   A155       1.57412   0.00031  -0.00136   0.00000  -0.00136   1.57276
   A156       1.98892  -0.00159  -0.00177   0.00000  -0.00177   1.98715
   A157       1.92554  -0.00148   0.00081   0.00000   0.00081   1.92635
   A158       1.84973   0.00065  -0.00055   0.00000  -0.00055   1.84918
   A159       1.94512   0.00207   0.00292   0.00000   0.00292   1.94804
   A160       1.86236   0.00076   0.00295   0.00000   0.00295   1.86530
   A161       1.88573  -0.00035  -0.00474   0.00000  -0.00474   1.88100
   A162       1.98526  -0.00118  -0.00091   0.00000  -0.00091   1.98436
   A163       1.96206   0.00013   0.00183   0.00000   0.00184   1.96390
   A164       1.93521   0.00009   0.00222   0.00000   0.00222   1.93743
   A165       1.88818  -0.00020  -0.00647   0.00000  -0.00647   1.88172
   A166       1.84758   0.00057   0.00072   0.00000   0.00072   1.84830
   A167       1.83607   0.00076   0.00265   0.00000   0.00266   1.83873
   A168       1.92671   0.00062  -0.00022   0.00000  -0.00022   1.92649
   A169       1.96073   0.00050   0.00167   0.00000   0.00167   1.96240
   A170       1.96595  -0.00115  -0.00015   0.00000  -0.00015   1.96580
   A171       1.86044  -0.00006  -0.00070   0.00000  -0.00070   1.85974
   A172       1.85674   0.00040   0.00205   0.00000   0.00205   1.85879
   A173       1.88729  -0.00027  -0.00269   0.00000  -0.00269   1.88461
   A174       1.91316  -0.00024   0.00086   0.00000   0.00086   1.91402
   A175       2.24298  -0.00006   0.00201   0.00000   0.00201   2.24499
   A176       2.12683   0.00031  -0.00292   0.00000  -0.00292   2.12392
   A177       1.58139   0.00026  -0.00091   0.00000  -0.00091   1.58048
    D1        1.02679  -0.00020  -0.01445   0.00000  -0.01445   1.01234
    D2       -3.12462   0.00020  -0.01116   0.00000  -0.01116  -3.13578
    D3       -1.05917  -0.00002  -0.01277   0.00000  -0.01277  -1.07194
    D4        3.10252   0.00012  -0.01139   0.00000  -0.01139   3.09113
    D5       -1.04889   0.00052  -0.00811   0.00000  -0.00811  -1.05699
    D6        1.01656   0.00030  -0.00971   0.00000  -0.00971   1.00685
    D7       -1.05820  -0.00006  -0.01222   0.00000  -0.01222  -1.07042
    D8        1.07358   0.00034  -0.00894   0.00000  -0.00894   1.06464
    D9        3.13903   0.00012  -0.01054   0.00000  -0.01054   3.12848
   D10        0.95236   0.00029  -0.00722   0.00000  -0.00723   0.94514
   D11        3.05084   0.00037  -0.00722   0.00000  -0.00722   3.04363
   D12       -1.15675   0.00075  -0.00334   0.00000  -0.00334  -1.16009
   D13       -1.20703   0.00007  -0.01023   0.00000  -0.01023  -1.21726
   D14        0.89145   0.00014  -0.01022   0.00000  -0.01022   0.88123
   D15        2.96704   0.00053  -0.00635   0.00000  -0.00635   2.96069
   D16        3.05029  -0.00058  -0.01179   0.00000  -0.01179   3.03850
   D17       -1.13441  -0.00050  -0.01178   0.00000  -0.01178  -1.14619
   D18        0.94118  -0.00012  -0.00791   0.00000  -0.00791   0.93327
   D19        2.55631  -0.00056   0.00711   0.00000   0.00711   2.56342
   D20       -0.60573  -0.00058   0.00702   0.00000   0.00702  -0.59870
   D21       -1.56919  -0.00028   0.00956   0.00000   0.00956  -1.55964
   D22        1.55196  -0.00030   0.00947   0.00000   0.00947   1.56143
   D23        0.46816   0.00035   0.01137   0.00000   0.01137   0.47953
   D24       -2.69387   0.00033   0.01128   0.00000   0.01128  -2.68260
   D25        3.12633  -0.00010  -0.00026   0.00000  -0.00026   3.12606
   D26        0.00348  -0.00007  -0.00016   0.00000  -0.00016   0.00332
   D27       -3.12746   0.00011   0.00021   0.00000   0.00021  -3.12725
   D28       -0.00359   0.00008   0.00012   0.00000   0.00012  -0.00347
   D29        3.13609  -0.00011   0.00123   0.00000   0.00123   3.13732
   D30       -0.00150   0.00002   0.00013   0.00000   0.00013  -0.00137
   D31        2.09816   0.00006  -0.00692   0.00000  -0.00692   2.09125
   D32       -2.03245   0.00026  -0.00798   0.00000  -0.00798  -2.04043
   D33       -0.00892   0.00006  -0.00904   0.00000  -0.00904  -0.01796
   D34       -1.04797  -0.00009  -0.00567   0.00000  -0.00567  -1.05364
   D35        1.10461   0.00010  -0.00674   0.00000  -0.00674   1.09787
   D36        3.12813  -0.00009  -0.00780   0.00000  -0.00780   3.12033
   D37       -0.00127   0.00004  -0.00003   0.00000  -0.00003  -0.00130
   D38       -3.12064  -0.00034   0.00222   0.00000   0.00222  -3.11842
   D39       -3.13838   0.00019  -0.00126   0.00000  -0.00126  -3.13964
   D40        0.02543  -0.00019   0.00100   0.00000   0.00100   0.02642
   D41       -1.23320   0.00028  -0.01652   0.00000  -0.01651  -1.24971
   D42        1.39477  -0.00023   0.01202   0.00000   0.01201   1.40678
   D43        2.89899   0.00001  -0.01603   0.00000  -0.01602   2.88297
   D44       -0.75622  -0.00050   0.01251   0.00000   0.01250  -0.74373
   D45        0.88934   0.00060  -0.01575   0.00000  -0.01574   0.87360
   D46       -2.76588   0.00010   0.01279   0.00000   0.01278  -2.75310
   D47       -0.88489  -0.00006   0.02467   0.00000   0.02467  -0.86022
   D48       -2.94987  -0.00038   0.01908   0.00000   0.01908  -2.93079
   D49        1.22187   0.00012   0.02598   0.00000   0.02598   1.24785
   D50        2.73933  -0.00022  -0.00294   0.00000  -0.00295   2.73639
   D51        0.67435  -0.00055  -0.00854   0.00000  -0.00854   0.66581
   D52       -1.43709  -0.00005  -0.00164   0.00000  -0.00164  -1.43873
   D53       -2.97920   0.00051  -0.01677   0.00000  -0.01676  -2.99597
   D54        0.16826   0.00059  -0.02071   0.00000  -0.02071   0.14755
   D55       -0.35713   0.00027   0.01278   0.00000   0.01278  -0.34435
   D56        2.79034   0.00035   0.00883   0.00000   0.00883   2.79917
   D57        2.73967   0.00151  -0.00228   0.00000  -0.00229   2.73738
   D58        0.45110  -0.00117  -0.01522   0.00000  -0.01521   0.43589
   D59       -0.39604   0.00158  -0.00624   0.00000  -0.00624  -0.40228
   D60       -2.68461  -0.00109  -0.01917   0.00000  -0.01917  -2.70377
   D61       -1.66828  -0.00042  -0.00072   0.00000  -0.00072  -1.66900
   D62        2.49638  -0.00049  -0.00485   0.00000  -0.00485   2.49153
   D63        0.43342  -0.00024  -0.00571   0.00000  -0.00571   0.42770
   D64        0.66949   0.00096   0.01273   0.00000   0.01273   0.68222
   D65       -1.44903   0.00088   0.00860   0.00000   0.00860  -1.44043
   D66        2.77119   0.00114   0.00774   0.00000   0.00774   2.77893
   D67       -0.51848  -0.00021   0.00174   0.00000   0.00174  -0.51673
   D68        2.57292   0.00040   0.00303   0.00000   0.00303   2.57595
   D69        1.56217   0.00114   0.00431   0.00000   0.00431   1.56648
   D70       -1.62962   0.00175   0.00559   0.00000   0.00560  -1.62402
   D71       -2.59747  -0.00019   0.01011   0.00000   0.01011  -2.58736
   D72        0.49393   0.00042   0.01140   0.00000   0.01139   0.50532
   D73        1.25476  -0.00063   0.00662   0.00000   0.00662   1.26138
   D74       -2.82500  -0.00030   0.00982   0.00000   0.00982  -2.81518
   D75       -0.78778  -0.00111   0.00434   0.00000   0.00433  -0.78345
   D76       -0.84231   0.00021   0.01093   0.00000   0.01093  -0.83139
   D77        1.36111   0.00054   0.01413   0.00000   0.01414   1.37525
   D78       -2.88486  -0.00026   0.00865   0.00000   0.00865  -2.87621
   D79       -2.97694   0.00032   0.00481   0.00000   0.00481  -2.97213
   D80       -0.77351   0.00064   0.00802   0.00000   0.00802  -0.76549
   D81        1.26371  -0.00016   0.00253   0.00000   0.00253   1.26623
   D82        3.11692  -0.00055   0.01508   0.00000   0.01508   3.13200
   D83        0.19814  -0.00016   0.00589   0.00000   0.00589   0.20403
   D84       -0.07517   0.00012   0.01645   0.00000   0.01645  -0.05872
   D85       -2.99395   0.00051   0.00726   0.00000   0.00726  -2.98668
   D86        2.15739   0.00060  -0.00453   0.00000  -0.00453   2.15286
   D87       -1.96967   0.00172  -0.00197   0.00000  -0.00197  -1.97164
   D88        0.13031  -0.00045  -0.00734   0.00000  -0.00734   0.12298
   D89       -1.19796   0.00039   0.00477   0.00000   0.00477  -1.19319
   D90        0.95816   0.00151   0.00733   0.00000   0.00733   0.96550
   D91        3.05815  -0.00066   0.00197   0.00000   0.00197   3.06011
   D92        1.10933  -0.00097  -0.00246   0.00000  -0.00246   1.10687
   D93       -1.03083  -0.00103  -0.00384   0.00000  -0.00384  -1.03467
   D94       -3.02152  -0.00048  -0.00123   0.00000  -0.00122  -3.02274
   D95       -1.04485   0.00036  -0.00536   0.00000  -0.00536  -1.05021
   D96        3.09817   0.00030  -0.00673   0.00000  -0.00673   3.09143
   D97        1.10749   0.00085  -0.00412   0.00000  -0.00412   1.10336
   D98       -3.13940   0.00015  -0.00344   0.00000  -0.00344   3.14034
   D99        1.00362   0.00009  -0.00481   0.00000  -0.00481   0.99880
   D100      -0.98707   0.00065  -0.00220   0.00000  -0.00220  -0.98927
   D101       1.22149  -0.00076  -0.02218   0.00000  -0.02218   1.19931
   D102      -0.90701  -0.00018  -0.01934   0.00000  -0.01934  -0.92635
   D103      -2.92051  -0.00066  -0.02535   0.00000  -0.02535  -2.94586
   D104      -2.92562  -0.00047  -0.01868   0.00000  -0.01867  -2.94429
   D105       1.22907   0.00011  -0.01583   0.00000  -0.01583   1.21323
   D106      -0.78444  -0.00037  -0.02184   0.00000  -0.02185  -0.80628
   D107      -0.85826   0.00061  -0.01691   0.00000  -0.01691  -0.87517
   D108      -2.98675   0.00119  -0.01407   0.00000  -0.01407  -3.00082
   D109       1.28293   0.00071  -0.02008   0.00000  -0.02008   1.26285
   D110      -1.54442   0.00021  -0.00394   0.00000  -0.00394  -1.54836
   D111       1.59307   0.00044  -0.00313   0.00000  -0.00313   1.58994
   D112       0.58475   0.00028  -0.00389   0.00000  -0.00389   0.58087
   D113      -2.56095   0.00051  -0.00307   0.00000  -0.00307  -2.56402
   D114       2.60134  -0.00056  -0.00544   0.00000  -0.00544   2.59589
   D115      -0.54437  -0.00033  -0.00463   0.00000  -0.00463  -0.54899
   D116       3.13655   0.00008   0.00053   0.00000   0.00053   3.13708
   D117      -0.01099   0.00001   0.00074   0.00000   0.00074  -0.01025
   D118      -0.00099  -0.00014  -0.00027   0.00000  -0.00027  -0.00126
   D119       3.13466  -0.00022  -0.00006   0.00000  -0.00006   3.13460
   D120      -3.13723  -0.00008  -0.00038   0.00000  -0.00038  -3.13761
   D121       0.00941   0.00002  -0.00010   0.00000  -0.00010   0.00931
   D122       0.00029   0.00014   0.00043   0.00000   0.00043   0.00072
   D123      -3.13625   0.00024   0.00070   0.00000   0.00070  -3.13555
   D124      -0.00005   0.00004  -0.00005   0.00000  -0.00005  -0.00009
   D125       3.13902   0.00000  -0.00002   0.00000  -0.00002   3.13900
   D126      -3.13571   0.00012  -0.00026   0.00000  -0.00026  -3.13597
   D127       0.00335   0.00007  -0.00023   0.00000  -0.00023   0.00313
   D128       0.00178   0.00005   0.00021   0.00000   0.00021   0.00200
   D129       3.14150  -0.00006   0.00035   0.00000   0.00035  -3.14133
   D130      -3.13727   0.00010   0.00018   0.00000   0.00018  -3.13709
   D131       0.00244  -0.00001   0.00032   0.00000   0.00032   0.00277
   D132      -0.00249  -0.00005  -0.00006   0.00000  -0.00006  -0.00254
   D133       3.13797  -0.00012  -0.00004   0.00000  -0.00004   3.13793
   D134       3.14099   0.00006  -0.00020   0.00000  -0.00020   3.14079
   D135      -0.00174  -0.00001  -0.00018   0.00000  -0.00018  -0.00192
   D136       0.00145  -0.00005  -0.00026   0.00000  -0.00026   0.00119
   D137       3.13804  -0.00015  -0.00054   0.00000  -0.00054   3.13750
   D138      -3.13900   0.00002  -0.00028   0.00000  -0.00028  -3.13928
   D139      -0.00241  -0.00008  -0.00056   0.00000  -0.00056  -0.00297
   D140      -1.48537   0.00067   0.01730   0.00000   0.01730  -1.46807
   D141       2.79907   0.00068   0.01847   0.00000   0.01847   2.81753
   D142       0.63189  -0.00088   0.01029   0.00000   0.01029   0.64219
   D143       0.65881  -0.00023   0.01429   0.00000   0.01430   0.67311
   D144      -1.33993  -0.00023   0.01546   0.00000   0.01546  -1.32447
   D145       2.77607  -0.00178   0.00729   0.00000   0.00729   2.78337
   D146       2.66338   0.00127   0.02198   0.00000   0.02198   2.68536
   D147       0.66463   0.00128   0.02315   0.00000   0.02314   0.68777
   D148      -1.50255  -0.00028   0.01497   0.00000   0.01497  -1.48758
   D149       2.23690  -0.00192   0.00332   0.00000   0.00332   2.24022
   D150      -1.97951   0.00149   0.01446   0.00000   0.01446  -1.96505
   D151       0.10034   0.00052   0.00971   0.00000   0.00971   0.11005
   D152      -1.04719  -0.00087  -0.02824   0.00000  -0.02823  -1.07542
   D153       3.07850  -0.00115  -0.02526   0.00000  -0.02525   3.05325
   D154       1.06265  -0.00042  -0.01974   0.00000  -0.01974   1.04291
   D155      -3.06248   0.00021  -0.02780   0.00000  -0.02780  -3.09028
   D156       1.06321  -0.00006  -0.02482   0.00000  -0.02482   1.03839
   D157      -0.95264   0.00067  -0.01930   0.00000  -0.01931  -0.97195
   D158       1.13889   0.00039  -0.02140   0.00000  -0.02139   1.11750
   D159      -1.01861   0.00012  -0.01841   0.00000  -0.01841  -1.03702
   D160      -3.03446   0.00085  -0.01289   0.00000  -0.01290  -3.04736
   D161       2.99941   0.00091   0.01277   0.00000   0.01276   3.01217
   D162      -1.14223   0.00134   0.01518   0.00000   0.01518  -1.12705
   D163       0.85723   0.00124   0.01507   0.00000   0.01507   0.87230
   D164      -1.14285  -0.00097  -0.00249   0.00000  -0.00249  -1.14534
   D165       0.99869  -0.00054  -0.00008   0.00000  -0.00008   0.99862
   D166       2.99816  -0.00064  -0.00019   0.00000  -0.00019   2.99797
   D167       0.92084  -0.00084   0.00073   0.00000   0.00073   0.92157
   D168       3.06238  -0.00041   0.00315   0.00000   0.00315   3.06553
   D169      -1.22134  -0.00051   0.00304   0.00000   0.00304  -1.21831
   D170       1.20467  -0.00034  -0.03804   0.00000  -0.03803   1.16664
   D171      -2.16417   0.00066   0.01187   0.00000   0.01187  -2.15231
   D172      -0.94993  -0.00119  -0.03506   0.00000  -0.03504  -0.98497
   D173       1.96442  -0.00018   0.01486   0.00000   0.01485   1.97927
   D174      -3.05351  -0.00053  -0.03888   0.00000  -0.03888  -3.09238
   D175      -0.13916   0.00047   0.01104   0.00000   0.01102  -0.12814
   D176       1.73434   0.00022  -0.00160   0.00000  -0.00160   1.73273
   D177      -1.40326   0.00019  -0.00181   0.00000  -0.00181  -1.40507
   D178      -0.39759  -0.00015  -0.00352   0.00000  -0.00352  -0.40111
   D179       2.74800  -0.00018  -0.00372   0.00000  -0.00372   2.74427
   D180      -2.41183   0.00007  -0.00426   0.00000  -0.00426  -2.41609
   D181       0.73376   0.00005  -0.00446   0.00000  -0.00446   0.72929
   D182      -3.13932   0.00000  -0.00014   0.00000  -0.00014  -3.13946
   D183       0.00543  -0.00003  -0.00036   0.00000  -0.00036   0.00507
   D184      -0.00169   0.00002   0.00006   0.00000   0.00006  -0.00162
   D185      -3.14013  -0.00001  -0.00016   0.00000  -0.00016  -3.14028
   D186       3.13901   0.00000   0.00022   0.00000   0.00022   3.13923
   D187      -0.00593   0.00002   0.00032   0.00000   0.00032  -0.00561
   D188       0.00137  -0.00002   0.00002   0.00000   0.00002   0.00139
   D189       3.13961   0.00000   0.00012   0.00000   0.00012   3.13973
   D190       0.00129  -0.00001  -0.00010   0.00000  -0.00010   0.00119
   D191      -3.13913  -0.00003  -0.00019   0.00000  -0.00019  -3.13932
   D192       3.13973   0.00002   0.00012   0.00000   0.00012   3.13985
   D193      -0.00069   0.00000   0.00003   0.00000   0.00003  -0.00066
   D194      -0.00056   0.00000   0.00005   0.00000   0.00005  -0.00051
   D195      -3.14045  -0.00001   0.00002   0.00000   0.00002  -3.14043
   D196       3.13987   0.00001   0.00014   0.00000   0.00014   3.14001
   D197      -0.00002   0.00001   0.00011   0.00000   0.00011   0.00009
   D198       0.00025   0.00001   0.00003   0.00000   0.00003   0.00028
   D199      -3.14003   0.00000   0.00007   0.00000   0.00007  -3.13996
   D200       3.14013   0.00001   0.00006   0.00000   0.00006   3.14019
   D201      -0.00014   0.00000   0.00010   0.00000   0.00010  -0.00005
   D202      -0.00066   0.00000  -0.00007   0.00000  -0.00007  -0.00073
   D203      -3.13889  -0.00002  -0.00018   0.00000  -0.00018  -3.13906
   D204       3.13962   0.00001  -0.00010   0.00000  -0.00010   3.13952
   D205       0.00139  -0.00001  -0.00021   0.00000  -0.00021   0.00118
   D206      -0.06472  -0.00330   0.02408   0.00000   0.02411  -0.04062
   D207       2.95439   0.00426   0.10694   0.00000   0.10692   3.06131
   D208      -2.97448  -0.00428  -0.02696   0.00000  -0.02694  -3.00142
   D209       0.04463   0.00328   0.05590   0.00000   0.05588   0.10051
   D210       2.92084  -0.00357  -0.07355   0.00000  -0.07358   2.84726
   D211      -0.33433   0.00355   0.00326   0.00000   0.00329  -0.33103
   D212      -1.55505   0.00008   0.03545   0.00000   0.03545  -1.51959
   D213       2.64221   0.00005   0.03400   0.00000   0.03400   2.67621
   D214       0.60402   0.00027   0.02904   0.00000   0.02903   0.63305
   D215      -0.25670   0.00009   0.01724   0.00000   0.01723  -0.23947
   D216       2.87462   0.00014   0.00510   0.00000   0.00510   2.87971
   D217       1.72032  -0.00128   0.01313   0.00000   0.01314   1.73346
   D218      -1.43154  -0.00123   0.00099   0.00000   0.00100  -1.43054
   D219      -2.38968   0.00087   0.02449   0.00000   0.02449  -2.36519
   D220       0.74164   0.00092   0.01236   0.00000   0.01235   0.75399
   D221       3.13168  -0.00002  -0.01409   0.00000  -0.01408   3.11760
   D222      -0.02839   0.00038  -0.00453   0.00000  -0.00454  -0.03293
   D223      -0.00055  -0.00006  -0.00302   0.00000  -0.00302  -0.00358
   D224       3.12256   0.00034   0.00653   0.00000   0.00652   3.12908
   D225      -3.13500  -0.00005   0.01103   0.00000   0.01103  -3.12397
   D226      -0.00178  -0.00002   0.00114   0.00000   0.00114  -0.00064
   D227       0.00363   0.00014   0.00391   0.00000   0.00392   0.00754
   D228      -3.12101  -0.00024  -0.00487   0.00000  -0.00488  -3.12589
   D229      -0.00489  -0.00015  -0.00286   0.00000  -0.00286  -0.00775
   D230       3.13523   0.00004  -0.00032   0.00000  -0.00032   3.13491
   D231       0.00394   0.00010   0.00103   0.00000   0.00103   0.00497
   D232      -3.13626  -0.00008  -0.00137   0.00000  -0.00137  -3.13763
   D233       0.17453  -0.00018   0.00131   0.00000   0.00131   0.17585
   D234       2.32808  -0.00127  -0.00662   0.00000  -0.00662   2.32146
   D235      -1.90531  -0.00017  -0.00059   0.00000  -0.00059  -1.90590
   D236      -2.01859   0.00138  -0.00078   0.00000  -0.00078  -2.01937
   D237       0.13495   0.00030  -0.00871   0.00000  -0.00871   0.12624
   D238       2.18475   0.00140  -0.00268   0.00000  -0.00268   2.18207
   D239       2.20975   0.00023   0.00156   0.00000   0.00156   2.21131
   D240      -1.91989  -0.00086  -0.00637   0.00000  -0.00637  -1.92627
   D241       0.12991   0.00024  -0.00034   0.00000  -0.00034   0.12956
   D242       2.94791   0.00052  -0.01223   0.00000  -0.01223   2.93568
   D243      -1.26129   0.00119  -0.01217   0.00000  -0.01217  -1.27347
   D244       0.87521   0.00034  -0.01457   0.00000  -0.01457   0.86064
   D245      -1.10748  -0.00114  -0.01168   0.00000  -0.01168  -1.11916
   D246       0.96649  -0.00047  -0.01162   0.00000  -0.01162   0.95487
   D247       3.10300  -0.00132  -0.01402   0.00000  -0.01403   3.08897
   D248       0.93321   0.00074  -0.00934   0.00000  -0.00934   0.92387
   D249       3.00719   0.00141  -0.00928   0.00000  -0.00928   2.99791
   D250      -1.13949   0.00056  -0.01169   0.00000  -0.01168  -1.15118
   D251       0.00262  -0.00007  -0.00005   0.00000  -0.00005   0.00257
   D252       3.12374   0.00028  -0.00204   0.00000  -0.00205   3.12170
         Item               Value     Threshold  Converged?
 Maximum Force            0.006448     0.000450     NO 
 RMS     Force            0.001119     0.000300     NO 
 Maximum Displacement     1.627763     0.001800     NO 
 RMS     Displacement     0.234699     0.001200     NO 
 Predicted change in Energy=-1.157761D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.690725   -2.695122   -0.126217
      2          6           0       -9.392449   -1.388200   -0.862822
      3          6           0      -10.392520   -0.286801   -0.484185
      4          6           0       -8.001804   -0.900524   -0.588546
      5          7           0       -7.224965   -0.247101   -1.423307
      6          6           0       -5.975823    0.086884   -0.846228
      7          6           0       -4.996369    0.835762   -1.715684
      8          7           0       -4.624268    2.156057   -1.160537
      9          6           0       -5.685800    3.191434   -1.218087
     10          6           0       -3.657480    2.304259   -0.145030
     11          8           0       -3.480540    3.391006    0.399535
     12          7           0       -2.887253    1.161112    0.233531
     13          6           0       -1.579009    1.468267    0.872978
     14          6           0       -0.472882    1.429881   -0.202633
     15          8           0       -0.567879    0.700258   -1.188691
     16          7           0        0.597795    2.293498   -0.039104
     17          6           0        1.721163    2.329196   -1.008422
     18          6           0        1.881069    3.761253   -1.560338
     19          6           0        2.252024    4.767185   -0.506941
     20          6           0        1.249638    5.431780    0.216816
     21          6           0        1.590377    6.363543    1.200531
     22          6           0        2.934852    6.640674    1.471209
     23          6           0        3.937071    5.982756    0.751171
     24          6           0        3.599700    5.050051   -0.232648
     25          6           0        3.034043    1.820497   -0.365993
     26          6           0        2.999254    0.316653   -0.057664
     27          8           0        2.351027    0.171109    1.222270
     28          6           0        4.431342   -0.272353    0.143087
     29          6           0        5.282891   -0.122374   -1.130376
     30          6           0        6.711542   -0.521762   -0.890755
     31          6           0        7.167621   -1.793457   -1.271195
     32          6           0        8.495153   -2.161979   -1.044633
     33          6           0        9.379488   -1.264675   -0.434743
     34          6           0        8.929784    0.003188   -0.053124
     35          6           0        7.602388    0.374990   -0.278645
     36          7           0        4.309569   -1.696283    0.557218
     37          6           0        3.811404   -2.658634   -0.294467
     38          8           0        3.379250   -2.525063   -1.426503
     39          8           0        3.914837   -3.904809    0.326978
     40          6           0        3.106773   -4.969425   -0.246694
     41          6           0        1.754280   -4.951205    0.359841
     42          6           0        1.303582   -4.297451    1.473797
     43          7           0       -0.063516   -4.466437    1.768838
     44          6           0       -0.661876   -5.246383    0.902675
     45         16           0        0.436724   -5.829350   -0.370296
     46          6           0       -1.329248    0.410954    1.999131
     47          6           0       -0.985888   -0.988958    1.471240
     48          6           0       -0.269533    0.919033    2.982248
     49          6           0       -5.798793   -0.316015    0.446517
     50         16           0       -7.220261   -1.143640    1.000210
     51          1           0      -10.709785   -3.035567   -0.346008
     52          1           0       -9.006895   -3.494519   -0.436250
     53          1           0       -9.620064   -2.594001    0.963357
     54          1           0       -9.468844   -1.565921   -1.973465
     55          1           0      -10.445865   -0.134456    0.599405
     56          1           0      -10.114835    0.674818   -0.938766
     57          1           0      -11.398811   -0.532808   -0.838430
     58          1           0       -4.080883    0.217239   -1.876848
     59          1           0       -5.439137    0.994681   -2.732202
     60          1           0       -6.111758    3.231875   -2.233427
     61          1           0       -5.243359    4.179650   -0.985919
     62          1           0       -6.501318    2.991656   -0.502490
     63          1           0       -2.778206    0.420281   -0.476268
     64          1           0       -1.646882    2.497319    1.333970
     65          1           0        0.739010    2.794674    0.839099
     66          1           0        1.442236    1.660911   -1.881471
     67          1           0        0.932104    4.061376   -2.056011
     68          1           0        2.638676    3.752071   -2.372084
     69          1           0        0.199290    5.225785    0.008746
     70          1           0        0.804908    6.875491    1.754717
     71          1           0        3.197494    7.366265    2.237659
     72          1           0        4.982753    6.200608    0.959095
     73          1           0        4.388296    4.548444   -0.787786
     74          1           0        3.242908    2.373018    0.574306
     75          1           0        3.882254    2.048980   -1.042689
     76          1           0        2.448184   -0.261166   -0.840233
     77          1           0        1.620763   -0.483306    1.163216
     78          1           0        4.909191    0.271679    1.002432
     79          1           0        4.837353   -0.732251   -1.952245
     80          1           0        5.231529    0.925747   -1.495230
     81          1           0        6.483572   -2.496709   -1.748473
     82          1           0        8.845159   -3.148459   -1.343194
     83          1           0       10.413267   -1.554538   -0.260693
     84          1           0        9.614964    0.705008    0.420347
     85          1           0        7.256712    1.363467    0.017615
     86          1           0        4.751053   -1.975860    1.435020
     87          1           0        3.681576   -5.872055    0.026929
     88          1           0        3.070529   -4.852523   -1.354906
     89          1           0        1.898853   -3.677589    2.142209
     90          1           0       -1.703710   -5.532628    0.915858
     91          1           0       -2.299957    0.319821    2.557949
     92          1           0       -0.791061   -1.017707    0.390712
     93          1           0       -0.119299   -1.429361    1.980468
     94          1           0       -1.812591   -1.689164    1.646422
     95          1           0       -0.243190    0.284327    3.877772
     96          1           0        0.743857    0.899665    2.554354
     97          1           0       -0.470861    1.939419    3.329532
     98          1           0       -4.949119   -0.159302    1.089050
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0647966      0.0271162      0.0203594
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3514.9018030519 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.241715379029     A.U. after   29 cycles
             Convg  =    0.7354D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000512162    0.000887632   -0.001457902
      2        6          -0.000691476   -0.003026199   -0.001242080
      3        6          -0.000962450    0.000000344   -0.000779402
      4        6          -0.001235460   -0.000342876    0.000041084
      5        7           0.002531529    0.002215516    0.002150668
      6        6          -0.002836056   -0.001690062   -0.001370441
      7        6           0.003200253    0.000660048    0.003527323
      8        7          -0.002420383    0.003436111   -0.001515537
      9        6           0.001208799   -0.000068422   -0.000257716
     10        6           0.003525925   -0.006118906   -0.001751123
     11        8          -0.000594168    0.002013655    0.000963275
     12        7          -0.006232119    0.000549787   -0.002539838
     13        6          -0.002266781   -0.001526982    0.005948037
     14        6          -0.000118507    0.004582998   -0.000743048
     15        8           0.000871816   -0.004375136    0.000362847
     16        7           0.001523715   -0.002067054    0.003419929
     17        6          -0.003478966    0.004429258    0.001822119
     18        6          -0.001140159   -0.002579098   -0.001039864
     19        6          -0.000103700   -0.001546826   -0.000194948
     20        6           0.000694615    0.000147617   -0.000021517
     21        6          -0.000932886    0.000083366   -0.000042351
     22        6           0.000747096    0.000380629    0.000095960
     23        6           0.000950685   -0.000519034    0.000121703
     24        6          -0.000456347    0.000474500   -0.000289381
     25        6           0.003150488    0.002189383    0.001648388
     26        6           0.000643879    0.002227163   -0.001920304
     27        8          -0.000212062   -0.000214566   -0.002026834
     28        6           0.001773686   -0.001425282    0.000521174
     29        6          -0.001644177    0.000944710    0.000678326
     30        6          -0.001613532   -0.001087901    0.000315206
     31        6           0.001550048    0.001519582   -0.000331082
     32        6          -0.000643973   -0.001729611   -0.000231478
     33        6           0.000158251    0.000755402    0.000154578
     34        6          -0.000142691   -0.000025828    0.000040201
     35        6           0.001678660    0.000464320   -0.000562180
     36        7          -0.000892660   -0.001354369    0.002452296
     37        6          -0.003703995    0.005375693   -0.007886091
     38        8           0.001995962   -0.003246487    0.004271907
     39        8           0.000953377   -0.000993790    0.003034220
     40        6           0.003929045    0.002534970   -0.002565737
     41        6          -0.000426161   -0.000107282   -0.000913113
     42        6          -0.002479515   -0.002303621    0.000016494
     43        7           0.001388161    0.001726810    0.000236383
     44        6          -0.001769699   -0.000286000   -0.000402786
     45       16           0.000883798   -0.001100336    0.000338615
     46        6           0.000302372   -0.000066769   -0.000961118
     47        6           0.000370211   -0.000558615   -0.000777996
     48        6          -0.000054181    0.000972906   -0.001171107
     49        6           0.001824146    0.000795910   -0.000482712
     50       16           0.000492316    0.001085538   -0.001334057
     51        1           0.000220746    0.000429291    0.000321261
     52        1          -0.000132223   -0.000234232    0.000529816
     53        1           0.000180275    0.000109952   -0.000028440
     54        1           0.000450237    0.000580998    0.000875036
     55        1           0.000177216   -0.000071288    0.000081437
     56        1           0.000178324    0.000165282    0.000424440
     57        1           0.000479825    0.000122176    0.000533130
     58        1          -0.000199748    0.000183617   -0.000169973
     59        1          -0.000199782   -0.000088475   -0.000587551
     60        1          -0.000287802   -0.000112494   -0.000103332
     61        1           0.000680647   -0.000417453    0.000173255
     62        1          -0.000093199   -0.000327440   -0.000394635
     63        1           0.001449567    0.002853278    0.001770162
     64        1          -0.000773802   -0.000514251    0.001333769
     65        1          -0.000301976    0.000805561   -0.000965453
     66        1          -0.000620887   -0.001500895    0.001594753
     67        1           0.000241442    0.000131309   -0.000392155
     68        1           0.000708464    0.000009445   -0.000100328
     69        1           0.000048336    0.000066291   -0.000200059
     70        1           0.000067656   -0.000187936    0.000010027
     71        1          -0.000136905   -0.000060389   -0.000068554
     72        1          -0.000444716    0.000066655   -0.000056579
     73        1          -0.000026944    0.000294565   -0.000254136
     74        1           0.000759271   -0.000271419   -0.000123187
     75        1           0.000245510   -0.000043063   -0.000499385
     76        1           0.001017547   -0.001824000    0.000432117
     77        1           0.000122504    0.000141209   -0.000064425
     78        1          -0.001126273    0.000072217    0.000564014
     79        1           0.000176131    0.000156839   -0.000215617
     80        1           0.000093627   -0.000136585   -0.000253402
     81        1          -0.000084866   -0.000563206   -0.000097477
     82        1           0.000063727    0.000345759    0.000088183
     83        1          -0.000033299   -0.000233741   -0.000042980
     84        1          -0.000108256    0.000148811    0.000088274
     85        1          -0.000553500   -0.000123432    0.000210120
     86        1           0.001387698    0.000465478   -0.001145252
     87        1          -0.002216547   -0.000594508    0.002104815
     88        1          -0.000694543   -0.001045477    0.000207466
     89        1           0.000274091    0.000592832   -0.000215445
     90        1           0.001005931    0.000491469    0.000196044
     91        1           0.000579179   -0.001241630   -0.001002239
     92        1          -0.000207025   -0.000918340   -0.000211428
     93        1           0.000146642    0.000115824   -0.000800891
     94        1           0.000266908    0.000134098   -0.000212128
     95        1          -0.000243939    0.000042933   -0.000123907
     96        1           0.000387387   -0.000424965   -0.000944644
     97        1          -0.000256573    0.001238669   -0.000088685
     98        1          -0.001450655   -0.000922134    0.000475176
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007886091 RMS     0.001530478

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.006373472 RMS     0.000922576
 Search for a local minimum.
 Step number  13 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   12   11   13
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00140   0.00322   0.00370   0.00430   0.00515
     Eigenvalues ---    0.00588   0.00633   0.00653   0.00680   0.00803
     Eigenvalues ---    0.00886   0.00896   0.00918   0.00936   0.00995
     Eigenvalues ---    0.01030   0.01088   0.01156   0.01216   0.01269
     Eigenvalues ---    0.01287   0.01340   0.01364   0.01394   0.01440
     Eigenvalues ---    0.01457   0.01479   0.01535   0.01557   0.01597
     Eigenvalues ---    0.01622   0.01716   0.01745   0.01881   0.01922
     Eigenvalues ---    0.01960   0.01970   0.02075   0.02126   0.02178
     Eigenvalues ---    0.02194   0.02203   0.02216   0.02220   0.02258
     Eigenvalues ---    0.02269   0.02289   0.02328   0.02374   0.02406
     Eigenvalues ---    0.02408   0.02414   0.02448   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02567   0.02611   0.02701
     Eigenvalues ---    0.02736   0.03241   0.03576   0.04011   0.04111
     Eigenvalues ---    0.04192   0.04267   0.04330   0.04505   0.04694
     Eigenvalues ---    0.04840   0.04941   0.04950   0.04966   0.05032
     Eigenvalues ---    0.05123   0.05175   0.05220   0.05403   0.05469
     Eigenvalues ---    0.05505   0.05553   0.05570   0.05604   0.05671
     Eigenvalues ---    0.05795   0.05803   0.05831   0.05865   0.05945
     Eigenvalues ---    0.06051   0.06141   0.06328   0.06479   0.06714
     Eigenvalues ---    0.06912   0.07178   0.07325   0.07504   0.07896
     Eigenvalues ---    0.07926   0.08672   0.09438   0.09689   0.10193
     Eigenvalues ---    0.11934   0.12536   0.12877   0.12905   0.13021
     Eigenvalues ---    0.13351   0.13980   0.14346   0.15781   0.15850
     Eigenvalues ---    0.15943   0.15987   0.15997   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16003   0.16011   0.16049
     Eigenvalues ---    0.16063   0.16093   0.16163   0.16237   0.16841
     Eigenvalues ---    0.16929   0.17208   0.17389   0.17877   0.18014
     Eigenvalues ---    0.18069   0.18390   0.19254   0.20370   0.20999
     Eigenvalues ---    0.21262   0.21782   0.21861   0.21984   0.22000
     Eigenvalues ---    0.22000   0.22001   0.22033   0.22057   0.22097
     Eigenvalues ---    0.22406   0.22819   0.23154   0.23316   0.23448
     Eigenvalues ---    0.23482   0.23699   0.23752   0.24233   0.24800
     Eigenvalues ---    0.24907   0.24966   0.24995   0.24996   0.24998
     Eigenvalues ---    0.25000   0.25008   0.25031   0.25075   0.25475
     Eigenvalues ---    0.28910   0.29378   0.29513   0.29759   0.29824
     Eigenvalues ---    0.29910   0.30119   0.30247   0.30345   0.30670
     Eigenvalues ---    0.30888   0.31132   0.31334   0.31416   0.31432
     Eigenvalues ---    0.31506   0.31525   0.31568   0.31662   0.31989
     Eigenvalues ---    0.32100   0.32366   0.32411   0.32471   0.32587
     Eigenvalues ---    0.32667   0.32775   0.32807   0.32865   0.32946
     Eigenvalues ---    0.33004   0.33046   0.33061   0.33109   0.33158
     Eigenvalues ---    0.33206   0.33267   0.33460   0.33565   0.33630
     Eigenvalues ---    0.33677   0.33689   0.33795   0.33975   0.33989
     Eigenvalues ---    0.34087   0.34165   0.34231   0.34272   0.34334
     Eigenvalues ---    0.34364   0.34431   0.34498   0.34566   0.34603
     Eigenvalues ---    0.34717   0.34802   0.35820   0.36056   0.36252
     Eigenvalues ---    0.36314   0.36376   0.36636   0.36841   0.36958
     Eigenvalues ---    0.37426   0.38527   0.39124   0.39375   0.40986
     Eigenvalues ---    0.41363   0.41737   0.42535   0.42766   0.43090
     Eigenvalues ---    0.43339   0.44072   0.44256   0.44815   0.45104
     Eigenvalues ---    0.45547   0.47553   0.47708   0.48369   0.48508
     Eigenvalues ---    0.48613   0.48931   0.49247   0.49975   0.50352
     Eigenvalues ---    0.50930   0.51238   0.51396   0.56387   0.57572
     Eigenvalues ---    0.58710   0.59191   0.63259   0.65190   0.75892
     Eigenvalues ---    0.78007   0.83952   1.001161000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-5.48403264D-03 EMin= 1.40199174D-03
 Quartic linear search produced a step of -0.30239.
 Maximum step size (   0.600) exceeded in Quadratic search.
    -- Step size scaled by   0.934
 Iteration  1 RMS(Cart)=  0.12430698 RMS(Int)=  0.00204046
 Iteration  2 RMS(Cart)=  0.00829135 RMS(Int)=  0.00050592
 Iteration  3 RMS(Cart)=  0.00002785 RMS(Int)=  0.00050589
 Iteration  4 RMS(Cart)=  0.00000011 RMS(Int)=  0.00050589
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89048  -0.00020   0.00019   0.00079   0.00097   2.89145
    R2        2.07241   0.00047   0.00003   0.00214   0.00217   2.07458
    R3        2.07249   0.00015  -0.00005   0.00007   0.00003   2.07252
    R4        2.07215  -0.00006   0.00014   0.00060   0.00073   2.07288
    R5        2.90095  -0.00028  -0.00015  -0.00263  -0.00278   2.89817
    R6        2.83267  -0.00120  -0.00023  -0.00564  -0.00588   2.82679
    R7        2.13041  -0.00018   0.00021   0.00119   0.00140   2.13181
    R8        2.07028   0.00016   0.00020   0.00214   0.00234   2.07262
    R9        2.07738  -0.00047  -0.00010  -0.00301  -0.00311   2.07427
   R10        2.06891   0.00039   0.00009   0.00221   0.00230   2.07121
   R11        2.48358  -0.00239  -0.00015  -0.00610  -0.00626   2.47732
   R12        3.37731  -0.00142   0.00014  -0.00567  -0.00554   3.37177
   R13        2.67576   0.00185   0.00046   0.00867   0.00913   2.68489
   R14        2.85098  -0.00174  -0.00026  -0.00836  -0.00862   2.84237
   R15        2.58061  -0.00026  -0.00012  -0.00120  -0.00131   2.57930
   R16        2.79643   0.00122  -0.00036   0.00044   0.00008   2.79651
   R17        2.10995   0.00018   0.00010   0.00182   0.00192   2.11187
   R18        2.11667   0.00035   0.00007   0.00196   0.00203   2.11870
   R19        2.80430   0.00176  -0.00019   0.00463   0.00444   2.80874
   R20        2.66438   0.00312  -0.00059   0.00436   0.00378   2.66816
   R21        2.08212  -0.00005  -0.00018  -0.00190  -0.00208   2.08004
   R22        2.09259   0.00021   0.00003   0.00104   0.00107   2.09366
   R23        2.08475  -0.00029   0.00012   0.00012   0.00024   2.08500
   R24        2.32127  -0.00227   0.00003  -0.00356  -0.00352   2.31775
   R25        2.70128   0.00343  -0.00111   0.00092  -0.00019   2.70109
   R26        2.81229   0.00143  -0.00085  -0.00109  -0.00193   2.81036
   R27        1.94975   0.00194  -0.00099  -0.00431  -0.00530   1.94445
   R28        2.91651  -0.00307   0.00043  -0.00507  -0.00464   2.91187
   R29        2.95699  -0.00637  -0.00016  -0.02522  -0.02538   2.93162
   R30        2.13469  -0.00027   0.00020   0.00154   0.00175   2.13644
   R31        2.32497  -0.00444  -0.00015  -0.00861  -0.00876   2.31621
   R32        2.61775  -0.00166   0.00012  -0.00270  -0.00258   2.61516
   R33        2.80470  -0.00026   0.00022   0.00113   0.00135   2.80605
   R34        1.92933  -0.00110  -0.00033  -0.00720  -0.00753   1.92181
   R35        2.91592   0.00363   0.00020   0.01714   0.01734   2.93326
   R36        2.92459  -0.00532   0.00003  -0.01388  -0.01384   2.91074
   R37        2.14350  -0.00168  -0.00047  -0.01083  -0.01130   2.13220
   R38        2.84035   0.00078  -0.00015   0.00173   0.00158   2.84193
   R39        2.10117   0.00044   0.00016   0.00295   0.00311   2.10427
   R40        2.09835  -0.00052  -0.00010  -0.00317  -0.00327   2.09508
   R41        2.65255   0.00028   0.00004   0.00127   0.00131   2.65386
   R42        2.65335  -0.00033   0.00003  -0.00048  -0.00044   2.65291
   R43        2.64020  -0.00009   0.00002  -0.00008  -0.00006   2.64014
   R44        2.06054   0.00008  -0.00001   0.00007   0.00007   2.06061
   R45        2.64405  -0.00056   0.00000  -0.00140  -0.00140   2.64265
   R46        2.05813   0.00014   0.00007   0.00108   0.00115   2.05928
   R47        2.64275  -0.00003  -0.00001  -0.00015  -0.00016   2.64259
   R48        2.05530   0.00004   0.00003   0.00038   0.00042   2.05571
   R49        2.63998   0.00035  -0.00004   0.00137   0.00133   2.64131
   R50        2.05637   0.00032   0.00001   0.00151   0.00152   2.05789
   R51        2.05422   0.00016  -0.00005   0.00037   0.00032   2.05454
   R52        2.90171  -0.00275  -0.00022  -0.00686  -0.00708   2.89463
   R53        2.09842   0.00033  -0.00024  -0.00104  -0.00128   2.09713
   R54        2.09545   0.00009   0.00022   0.00157   0.00179   2.09724
   R55        2.72515  -0.00152  -0.00003  -0.00261  -0.00264   2.72251
   R56        2.95070   0.00109  -0.00035   0.00494   0.00459   2.95529
   R57        2.11275  -0.00165  -0.00023  -0.00789  -0.00812   2.10463
   R58        1.85639   0.00014  -0.00020  -0.00156  -0.00176   1.85463
   R59        2.90879   0.00099   0.00030   0.00572   0.00602   2.91481
   R60        2.81176  -0.00012  -0.00005   0.00404   0.00398   2.81575
   R61        2.12355   0.00019  -0.00008  -0.00027  -0.00035   2.12320
   R62        2.83961  -0.00024   0.00001  -0.00004  -0.00003   2.83958
   R63        2.10933   0.00020  -0.00029  -0.00163  -0.00192   2.10741
   R64        2.09948   0.00030   0.00011   0.00153   0.00164   2.10112
   R65        2.65232  -0.00061   0.00008  -0.00073  -0.00065   2.65167
   R66        2.65400  -0.00060  -0.00012  -0.00247  -0.00259   2.65142
   R67        2.63851   0.00061  -0.00003   0.00224   0.00221   2.64071
   R68        2.06169  -0.00057  -0.00017  -0.00365  -0.00382   2.05787
   R69        2.64505  -0.00065  -0.00002  -0.00207  -0.00210   2.64296
   R70        2.05693   0.00024   0.00005   0.00149   0.00153   2.05846
   R71        2.64247  -0.00011   0.00000  -0.00009  -0.00010   2.64238
   R72        2.05539   0.00007   0.00005   0.00058   0.00063   2.05602
   R73        2.63959   0.00025   0.00012   0.00187   0.00200   2.64159
   R74        2.05815  -0.00011  -0.00001  -0.00048  -0.00049   2.05766
   R75        2.05655  -0.00032  -0.00005  -0.00180  -0.00185   2.05470
   R76        2.60457   0.00098  -0.00026   0.00454   0.00428   2.60885
   R77        1.93049  -0.00155  -0.00018  -0.00754  -0.00772   1.92277
   R78        2.30369  -0.00501  -0.00022  -0.01098  -0.01120   2.29248
   R79        2.63875   0.00142   0.00022   0.01092   0.01114   2.64989
   R80        2.74854  -0.00032   0.00045   0.00647   0.00692   2.75546
   R81        2.80129  -0.00132  -0.00011  -0.00650  -0.00660   2.79469
   R82        2.08728   0.00282   0.00043   0.01513   0.01555   2.10283
   R83        2.10695  -0.00065  -0.00044  -0.00646  -0.00690   2.10005
   R84        2.58514   0.00001  -0.00007  -0.00167  -0.00174   2.58341
   R85        3.29496  -0.00028   0.00036   0.00185   0.00221   3.29717
   R86        2.66214   0.00179   0.00056   0.00957   0.01013   2.67228
   R87        2.05742  -0.00065  -0.00014  -0.00429  -0.00443   2.05299
   R88        2.47589  -0.00055  -0.00026  -0.00345  -0.00372   2.47218
   R89        3.36309  -0.00118   0.00044  -0.00385  -0.00341   3.35968
   R90        2.04189   0.00113   0.00014   0.00607   0.00621   2.04810
   R91        2.90079  -0.00199   0.00017  -0.01087  -0.01070   2.89009
   R92        2.89545  -0.00210   0.00018  -0.00485  -0.00467   2.89078
   R93        2.12362   0.00009  -0.00004  -0.00035  -0.00039   2.12323
   R94        2.07554  -0.00031   0.00011  -0.00031  -0.00020   2.07534
   R95        2.07375  -0.00064  -0.00002  -0.00203  -0.00205   2.07170
   R96        2.07390   0.00012  -0.00012  -0.00091  -0.00103   2.07287
   R97        2.07484  -0.00014  -0.00010  -0.00170  -0.00180   2.07304
   R98        2.07907  -0.00010  -0.00018   0.00031   0.00013   2.07919
   R99        2.07210  -0.00106  -0.00005  -0.00418  -0.00423   2.06787
   R100       3.27970   0.00008   0.00032   0.00294   0.00327   3.28297
   R101       2.03473   0.00168   0.00000   0.00628   0.00629   2.04102
    A1        1.92830   0.00042   0.00009   0.00448   0.00455   1.93285
    A2        1.94451   0.00046   0.00007   0.00453   0.00458   1.94909
    A3        1.96834  -0.00015   0.00022   0.00021   0.00043   1.96877
    A4        1.87179  -0.00028   0.00032   0.00228   0.00256   1.87435
    A5        1.86257  -0.00021  -0.00045  -0.00645  -0.00689   1.85568
    A6        1.88382  -0.00029  -0.00026  -0.00556  -0.00582   1.87800
    A7        1.94681   0.00005   0.00005   0.00038   0.00038   1.94719
    A8        1.95064  -0.00004   0.00021   0.00333   0.00352   1.95416
    A9        1.90342  -0.00072  -0.00069  -0.02142  -0.02210   1.88132
   A10        1.90268   0.00023   0.00027   0.00836   0.00860   1.91128
   A11        1.88804   0.00022   0.00011   0.00427   0.00430   1.89234
   A12        1.86964   0.00027   0.00004   0.00526   0.00526   1.87490
   A13        1.95568   0.00002   0.00001  -0.00097  -0.00097   1.95471
   A14        1.94019   0.00025   0.00023   0.00531   0.00552   1.94572
   A15        1.93666   0.00000   0.00009   0.00045   0.00052   1.93719
   A16        1.87514  -0.00010  -0.00013  -0.00149  -0.00162   1.87352
   A17        1.88234  -0.00026  -0.00055  -0.00891  -0.00947   1.87286
   A18        1.87018   0.00008   0.00034   0.00546   0.00577   1.87595
   A19        2.20669  -0.00056   0.00002  -0.00296  -0.00293   2.20376
   A20        2.12245   0.00016  -0.00019   0.00120   0.00101   2.12346
   A21        1.95388   0.00040   0.00017   0.00175   0.00191   1.95579
   A22        1.96044   0.00029  -0.00004   0.00150   0.00145   1.96190
   A23        2.04310   0.00016  -0.00019  -0.00035  -0.00056   2.04254
   A24        2.01594  -0.00070  -0.00012  -0.00426  -0.00437   2.01157
   A25        2.22414   0.00054   0.00031   0.00460   0.00490   2.22905
   A26        1.97134   0.00152  -0.00075   0.00156   0.00080   1.97215
   A27        1.91827  -0.00035   0.00029   0.00310   0.00338   1.92165
   A28        1.91432  -0.00006   0.00016   0.00283   0.00299   1.91731
   A29        1.92008  -0.00043   0.00011  -0.00012  -0.00001   1.92007
   A30        1.88943  -0.00082   0.00058  -0.00107  -0.00050   1.88893
   A31        1.84597   0.00003  -0.00036  -0.00690  -0.00726   1.83871
   A32        2.01316  -0.00039   0.00079   0.01241   0.01159   2.02476
   A33        2.13697   0.00101   0.00086   0.02177   0.02121   2.15818
   A34        2.03208  -0.00074   0.00035   0.00663   0.00526   2.03734
   A35        1.91547  -0.00031   0.00033   0.00269   0.00299   1.91846
   A36        1.90573   0.00067   0.00016   0.00709   0.00723   1.91295
   A37        1.95766   0.00036  -0.00045  -0.00350  -0.00395   1.95371
   A38        1.89116  -0.00009   0.00052   0.00536   0.00583   1.89699
   A39        1.89506   0.00009   0.00022   0.00311   0.00334   1.89840
   A40        1.89755  -0.00074  -0.00075  -0.01462  -0.01538   1.88217
   A41        2.10723   0.00093   0.00030   0.00685   0.00716   2.11439
   A42        2.06708  -0.00094  -0.00034  -0.00758  -0.00792   2.05915
   A43        2.10888   0.00001   0.00004   0.00073   0.00077   2.10965
   A44        2.00689   0.00099   0.00021   0.03531   0.03015   2.03705
   A45        2.03641  -0.00092   0.00096   0.04327   0.03777   2.07418
   A46        1.92931   0.00174   0.00054   0.06062   0.05546   1.98477
   A47        1.90228  -0.00038  -0.00132  -0.00736  -0.00873   1.89355
   A48        1.88608   0.00165   0.00057   0.01929   0.01986   1.90595
   A49        1.88656   0.00057  -0.00057   0.01008   0.00954   1.89610
   A50        1.95021  -0.00119   0.00092   0.00140   0.00230   1.95251
   A51        1.92851   0.00042   0.00023  -0.00880  -0.00859   1.91991
   A52        1.90861  -0.00098   0.00012  -0.01358  -0.01357   1.89504
   A53        2.11528   0.00178  -0.00020   0.01464   0.01438   2.12966
   A54        2.04448  -0.00245   0.00083  -0.01929  -0.01853   2.02596
   A55        2.12235   0.00070  -0.00062   0.00375   0.00306   2.12541
   A56        2.12105  -0.00147  -0.00118  -0.00008  -0.00164   2.11941
   A57        2.11120   0.00112   0.00102   0.01101   0.01166   2.12287
   A58        2.03228   0.00021   0.00042  -0.00194  -0.00192   2.03036
   A59        1.91172   0.00070   0.00032  -0.00639  -0.00611   1.90561
   A60        1.94236  -0.00294   0.00016  -0.00953  -0.00941   1.93296
   A61        1.87799   0.00077  -0.00050   0.01039   0.00983   1.88783
   A62        1.94509   0.00204   0.00007   0.00067   0.00069   1.94578
   A63        1.87231   0.00012   0.00048   0.01698   0.01747   1.88978
   A64        1.91182  -0.00063  -0.00054  -0.01082  -0.01135   1.90047
   A65        1.97798   0.00205   0.00031   0.01622   0.01648   1.99446
   A66        1.89812  -0.00066  -0.00025  -0.00776  -0.00798   1.89014
   A67        1.90129  -0.00029   0.00003   0.00288   0.00283   1.90412
   A68        1.92029  -0.00074   0.00015  -0.00483  -0.00464   1.91565
   A69        1.92782  -0.00058  -0.00003  -0.00021  -0.00035   1.92748
   A70        1.83242   0.00006  -0.00027  -0.00826  -0.00854   1.82388
   A71        2.09670  -0.00023   0.00003  -0.00124  -0.00124   2.09546
   A72        2.10438  -0.00020  -0.00014  -0.00227  -0.00243   2.10195
   A73        2.08210   0.00043   0.00011   0.00355   0.00364   2.08574
   A74        2.09976  -0.00037  -0.00012  -0.00316  -0.00328   2.09649
   A75        2.09446   0.00015   0.00006   0.00100   0.00106   2.09552
   A76        2.08895   0.00023   0.00006   0.00215   0.00221   2.09116
   A77        2.09747   0.00021   0.00005   0.00155   0.00159   2.09906
   A78        2.08963   0.00004  -0.00003   0.00064   0.00061   2.09024
   A79        2.09609  -0.00025  -0.00002  -0.00219  -0.00220   2.09388
   A80        2.08960   0.00006   0.00001   0.00018   0.00019   2.08980
   A81        2.09499   0.00012   0.00010   0.00184   0.00193   2.09692
   A82        2.09859  -0.00018  -0.00011  -0.00203  -0.00214   2.09645
   A83        2.09857   0.00009   0.00002   0.00074   0.00075   2.09933
   A84        2.08989   0.00028   0.00012   0.00338   0.00350   2.09339
   A85        2.09472  -0.00037  -0.00014  -0.00413  -0.00426   2.09046
   A86        2.09886  -0.00042  -0.00006  -0.00287  -0.00293   2.09593
   A87        2.09853  -0.00006  -0.00006  -0.00177  -0.00183   2.09669
   A88        2.08578   0.00049   0.00012   0.00462   0.00474   2.09052
   A89        1.96714  -0.00413  -0.00161  -0.00170  -0.00336   1.96378
   A90        1.92572   0.00074   0.00026  -0.00336  -0.00310   1.92262
   A91        1.90483   0.00099   0.00002  -0.01203  -0.01209   1.89275
   A92        1.89815   0.00133   0.00036   0.01433   0.01470   1.91285
   A93        1.91949   0.00181   0.00043  -0.00612  -0.00579   1.91370
   A94        1.84456  -0.00049   0.00068   0.00962   0.01030   1.85485
   A95        1.86215  -0.00183  -0.00056  -0.00823  -0.00881   1.85334
   A96        1.95463   0.00185   0.00218  -0.00653  -0.00434   1.95029
   A97        1.95711  -0.00046  -0.00035  -0.00475  -0.00513   1.95198
   A98        1.83391   0.00036  -0.00082   0.00539   0.00453   1.83843
   A99        1.92573   0.00016  -0.00047  -0.00418  -0.00477   1.92097
   A100       1.92528  -0.00010  -0.00006   0.01789   0.01784   1.94311
   A101       1.92627  -0.00014  -0.00003   0.00088   0.00085   1.92711
   A102       1.94364   0.00044   0.00074  -0.00276  -0.00191   1.94173
   A103       1.89834  -0.00063  -0.00275   0.02085   0.01806   1.91640
   A104       1.88147   0.00063   0.00108   0.01108   0.01213   1.89360
   A105       1.94850  -0.00001   0.00073  -0.01722  -0.01652   1.93198
   A106       1.92863  -0.00044   0.00018  -0.00738  -0.00727   1.92136
   A107       1.86008   0.00002  -0.00005  -0.00326  -0.00359   1.85649
   A108       1.94781   0.00015   0.00002   0.00167   0.00167   1.94948
   A109       1.91251  -0.00001   0.00010   0.00210   0.00218   1.91469
   A110       1.91563  -0.00014  -0.00026  -0.00530  -0.00557   1.91006
   A111       1.93017   0.00017   0.00025   0.00579   0.00603   1.93619
   A112       1.92524  -0.00014  -0.00016  -0.00439  -0.00456   1.92068
   A113       1.82885  -0.00004   0.00006  -0.00003   0.00004   1.82889
   A114       2.10196  -0.00079  -0.00017  -0.00562  -0.00580   2.09616
   A115       2.09770  -0.00003  -0.00001  -0.00042  -0.00043   2.09727
   A116       2.08352   0.00081   0.00018   0.00605   0.00623   2.08975
   A117       2.09916  -0.00063  -0.00015  -0.00506  -0.00521   2.09395
   A118       2.09310   0.00019   0.00009   0.00178   0.00187   2.09497
   A119       2.09093   0.00043   0.00005   0.00329   0.00334   2.09426
   A120       2.09695   0.00022   0.00007   0.00209   0.00216   2.09911
   A121       2.09489  -0.00039  -0.00016  -0.00448  -0.00463   2.09026
   A122       2.09134   0.00017   0.00009   0.00238   0.00248   2.09382
   A123       2.09091  -0.00005   0.00001  -0.00022  -0.00022   2.09070
   A124       2.09368   0.00026   0.00004   0.00265   0.00269   2.09637
   A125       2.09859  -0.00021  -0.00005  -0.00243  -0.00247   2.09612
   A126       2.09774   0.00011   0.00002   0.00096   0.00097   2.09872
   A127       2.09507  -0.00023   0.00002  -0.00187  -0.00184   2.09323
   A128       2.09037   0.00012  -0.00004   0.00091   0.00087   2.09124
   A129       2.09809  -0.00047  -0.00013  -0.00382  -0.00394   2.09415
   A130       2.09108   0.00076   0.00034   0.00851   0.00885   2.09993
   A131       2.09401  -0.00029  -0.00021  -0.00469  -0.00490   2.08911
   A132       2.12444  -0.00039  -0.00011   0.00198   0.00165   2.12609
   A133       2.05521   0.00001   0.00076  -0.00047   0.00006   2.05528
   A134       2.08988   0.00046   0.00051   0.00370   0.00399   2.09387
   A135       2.24650   0.00099   0.00055   0.00946   0.00766   2.25416
   A136       1.89795  -0.00182  -0.00042  -0.01175  -0.01452   1.88343
   A137       2.13805   0.00094   0.00008   0.00631   0.00405   2.14210
   A138       2.02255  -0.00168  -0.00143   0.00047  -0.00097   2.02159
   A139       1.91401  -0.00121  -0.00189   0.00341   0.00148   1.91549
   A140       1.78373  -0.00068  -0.00007  -0.02186  -0.02201   1.76173
   A141       1.91065  -0.00030   0.00003  -0.01044  -0.01047   1.90018
   A142       1.96436   0.00085   0.00098  -0.00454  -0.00367   1.96070
   A143       1.95599   0.00117   0.00014   0.02177   0.02185   1.97784
   A144       1.92712  -0.00006   0.00073   0.00730   0.00784   1.93495
   A145       2.26483  -0.00044  -0.00002   0.00267   0.00260   2.26744
   A146       2.10820   0.00025  -0.00013  -0.00541  -0.00558   2.10262
   A147       1.90998   0.00019   0.00012   0.00303   0.00314   1.91311
   A148       2.01854  -0.00102  -0.00001  -0.00716  -0.00715   2.01139
   A149       2.20418   0.00058   0.00062   0.00910   0.00972   2.21389
   A150       2.06043   0.00044  -0.00060  -0.00195  -0.00256   2.05787
   A151       1.95643   0.00041  -0.00017   0.00416   0.00398   1.96042
   A152       1.96704  -0.00010   0.00027  -0.00082  -0.00056   1.96648
   A153       2.20183  -0.00003   0.00016   0.00193   0.00210   2.20393
   A154       2.11431   0.00013  -0.00043  -0.00112  -0.00154   2.11277
   A155       1.57276   0.00052  -0.00022   0.00082   0.00060   1.57336
   A156       1.98715  -0.00095  -0.00029  -0.01874  -0.01907   1.96807
   A157       1.92635  -0.00174   0.00013  -0.01669  -0.01667   1.90968
   A158       1.84918   0.00061  -0.00009   0.00471   0.00479   1.85397
   A159       1.94804   0.00159   0.00048   0.00549   0.00552   1.95357
   A160       1.86530   0.00046   0.00048   0.02360   0.02408   1.88938
   A161       1.88100   0.00013  -0.00078   0.00447   0.00354   1.88454
   A162       1.98436  -0.00097  -0.00015  -0.00849  -0.00871   1.97564
   A163       1.96390   0.00011   0.00030  -0.00466  -0.00446   1.95944
   A164       1.93743   0.00010   0.00036   0.00621   0.00658   1.94401
   A165       1.88172   0.00007  -0.00106  -0.01254  -0.01376   1.86796
   A166       1.84830   0.00051   0.00012   0.00789   0.00803   1.85633
   A167       1.83873   0.00030   0.00043   0.01358   0.01400   1.85272
   A168       1.92649   0.00049  -0.00004   0.00603   0.00600   1.93249
   A169       1.96240   0.00010   0.00027  -0.00181  -0.00158   1.96082
   A170       1.96580  -0.00109  -0.00003  -0.00905  -0.00910   1.95670
   A171       1.85974   0.00015  -0.00011   0.00432   0.00419   1.86394
   A172       1.85879   0.00042   0.00034   0.00786   0.00822   1.86701
   A173       1.88461   0.00000  -0.00044  -0.00631  -0.00682   1.87779
   A174       1.91402  -0.00034   0.00014   0.00040   0.00054   1.91456
   A175       2.24499  -0.00015   0.00033   0.00052   0.00082   2.24581
   A176       2.12392   0.00050  -0.00048  -0.00067  -0.00118   2.12274
   A177       1.58048   0.00036  -0.00015   0.00062   0.00048   1.58096
    D1        1.01234  -0.00010  -0.00237  -0.04514  -0.04749   0.96485
    D2       -3.13578   0.00021  -0.00183  -0.03163  -0.03347   3.11393
    D3       -1.07194   0.00006  -0.00209  -0.03679  -0.03891  -1.11084
    D4        3.09113   0.00012  -0.00187  -0.03642  -0.03825   3.05288
    D5       -1.05699   0.00043  -0.00133  -0.02291  -0.02423  -1.08123
    D6        1.00685   0.00029  -0.00159  -0.02807  -0.02967   0.97718
    D7       -1.07042  -0.00002  -0.00200  -0.04017  -0.04215  -1.11257
    D8        1.06464   0.00029  -0.00146  -0.02666  -0.02813   1.03651
    D9        3.12848   0.00015  -0.00173  -0.03182  -0.03357   3.09492
   D10        0.94514   0.00027  -0.00118  -0.02686  -0.02802   0.91712
   D11        3.04363   0.00034  -0.00118  -0.02574  -0.02691   3.01671
   D12       -1.16009   0.00059  -0.00055  -0.01512  -0.01565  -1.17574
   D13       -1.21726   0.00013  -0.00168  -0.03727  -0.03893  -1.25619
   D14        0.88123   0.00019  -0.00167  -0.03615  -0.03782   0.84340
   D15        2.96069   0.00045  -0.00104  -0.02553  -0.02656   2.93413
   D16        3.03850  -0.00044  -0.00193  -0.05031  -0.05226   2.98624
   D17       -1.14619  -0.00038  -0.00193  -0.04920  -0.05116  -1.19735
   D18        0.93327  -0.00012  -0.00129  -0.03858  -0.03989   0.89338
   D19        2.56342  -0.00047   0.00116   0.01716   0.01831   2.58173
   D20       -0.59870  -0.00050   0.00115   0.01642   0.01755  -0.58115
   D21       -1.55964  -0.00028   0.00157   0.02586   0.02743  -1.53221
   D22        1.56143  -0.00030   0.00155   0.02512   0.02667   1.58810
   D23        0.47953   0.00025   0.00186   0.03810   0.03997   0.51950
   D24       -2.68260   0.00023   0.00185   0.03735   0.03922  -2.64338
   D25        3.12606  -0.00010  -0.00004  -0.00493  -0.00497   3.12109
   D26        0.00332  -0.00008  -0.00003  -0.00425  -0.00427  -0.00095
   D27       -3.12725   0.00012   0.00003   0.00464   0.00468  -3.12258
   D28       -0.00347   0.00008   0.00002   0.00395   0.00397   0.00050
   D29        3.13732  -0.00011   0.00020  -0.00220  -0.00199   3.13533
   D30       -0.00137   0.00003   0.00002   0.00245   0.00246   0.00109
   D31        2.09125   0.00004  -0.00113  -0.04487  -0.04600   2.04524
   D32       -2.04043   0.00030  -0.00131  -0.04161  -0.04292  -2.08335
   D33       -0.01796   0.00010  -0.00148  -0.04655  -0.04803  -0.06599
   D34       -1.05364  -0.00013  -0.00093  -0.05018  -0.05112  -1.10476
   D35        1.09787   0.00014  -0.00110  -0.04692  -0.04803   1.04984
   D36        3.12033  -0.00006  -0.00128  -0.05186  -0.05314   3.06719
   D37       -0.00130   0.00003  -0.00001   0.00062   0.00062  -0.00068
   D38       -3.11842  -0.00035   0.00036  -0.01116  -0.01080  -3.12922
   D39       -3.13964   0.00019  -0.00021   0.00585   0.00565  -3.13399
   D40        0.02642  -0.00019   0.00016  -0.00593  -0.00577   0.02066
   D41       -1.24971   0.00030  -0.00271  -0.04873  -0.05170  -1.30141
   D42        1.40678  -0.00021   0.00197   0.04440   0.04664   1.45341
   D43        2.88297  -0.00002  -0.00263  -0.05378  -0.05667   2.82630
   D44       -0.74373  -0.00052   0.00205   0.03936   0.04167  -0.70205
   D45        0.87360   0.00064  -0.00258  -0.04490  -0.04774   0.82585
   D46       -2.75310   0.00013   0.00210   0.04824   0.05060  -2.70251
   D47       -0.86022  -0.00019   0.00404   0.07323   0.07712  -0.78310
   D48       -2.93079  -0.00031   0.00312   0.06087   0.06381  -2.86699
   D49        1.24785  -0.00005   0.00425   0.07670   0.08079   1.32864
   D50        2.73639  -0.00022  -0.00048  -0.01837  -0.01867   2.71772
   D51        0.66581  -0.00033  -0.00140  -0.03073  -0.03198   0.63383
   D52       -1.43873  -0.00008  -0.00027  -0.01490  -0.01500  -1.45374
   D53       -2.99597   0.00059  -0.00275  -0.03127  -0.03411  -3.03008
   D54        0.14755   0.00068  -0.00339  -0.03276  -0.03626   0.11130
   D55       -0.34435   0.00018   0.00209   0.06435   0.06655  -0.27780
   D56        2.79917   0.00026   0.00145   0.06285   0.06440   2.86357
   D57        2.73738   0.00161  -0.00037   0.07258   0.07259   2.80997
   D58        0.43589  -0.00118  -0.00249  -0.10666  -0.10954   0.32635
   D59       -0.40228   0.00170  -0.00102   0.07108   0.07044  -0.33184
   D60       -2.70377  -0.00109  -0.00314  -0.10817  -0.11169  -2.81546
   D61       -1.66900  -0.00082  -0.00012  -0.02298  -0.02405  -1.69305
   D62        2.49153  -0.00014  -0.00079  -0.03197  -0.03365   2.45788
   D63        0.42770  -0.00019  -0.00093  -0.03191  -0.03389   0.39381
   D64        0.68222   0.00058   0.00208   0.13828   0.14133   0.82356
   D65       -1.44043   0.00126   0.00141   0.12928   0.13173  -1.30869
   D66        2.77893   0.00121   0.00127   0.12935   0.13149   2.91042
   D67       -0.51673  -0.00004   0.00029   0.07343   0.07379  -0.44295
   D68        2.57595   0.00074   0.00050   0.05279   0.05330   2.62925
   D69        1.56648   0.00103   0.00070   0.09346   0.09418   1.66067
   D70       -1.62402   0.00181   0.00091   0.07282   0.07370  -1.55032
   D71       -2.58736  -0.00076   0.00166   0.07087   0.07252  -2.51483
   D72        0.50532   0.00002   0.00187   0.05023   0.05204   0.55736
   D73        1.26138  -0.00049   0.00108  -0.00320  -0.00216   1.25921
   D74       -2.81518  -0.00053   0.00161  -0.02431  -0.02251  -2.83768
   D75       -0.78345  -0.00092   0.00071  -0.02483  -0.02408  -0.80753
   D76       -0.83139  -0.00036   0.00179  -0.00745  -0.00578  -0.83717
   D77        1.37525  -0.00040   0.00231  -0.02857  -0.02612   1.34912
   D78       -2.87621  -0.00079   0.00142  -0.02908  -0.02769  -2.90391
   D79       -2.97213   0.00059   0.00079   0.01227   0.01289  -2.95924
   D80       -0.76549   0.00055   0.00131  -0.00885  -0.00746  -0.77295
   D81        1.26623   0.00016   0.00041  -0.00936  -0.00903   1.25721
   D82        3.13200  -0.00135   0.00247   0.06080   0.06335  -3.08784
   D83        0.20403  -0.00061   0.00096   0.01018   0.01097   0.21500
   D84       -0.05872  -0.00054   0.00270   0.04040   0.04326  -0.01546
   D85       -2.98668   0.00021   0.00119  -0.01023  -0.00912  -2.99581
   D86        2.15286   0.00066  -0.00074  -0.00882  -0.00951   2.14335
   D87       -1.97164   0.00174  -0.00032  -0.01901  -0.01921  -1.99085
   D88        0.12298  -0.00028  -0.00120  -0.03132  -0.03249   0.09049
   D89       -1.19319   0.00007   0.00078   0.04113   0.04183  -1.15136
   D90        0.96550   0.00115   0.00120   0.03095   0.03213   0.99762
   D91        3.06011  -0.00087   0.00032   0.01863   0.01885   3.07897
   D92        1.10687  -0.00124  -0.00040  -0.04252  -0.04296   1.06391
   D93       -1.03467  -0.00120  -0.00063  -0.04169  -0.04231  -1.07698
   D94       -3.02274  -0.00078  -0.00020  -0.02937  -0.02955  -3.05230
   D95       -1.05021   0.00061  -0.00088  -0.02631  -0.02721  -1.07742
   D96        3.09143   0.00065  -0.00110  -0.02548  -0.02656   3.06488
   D97        1.10336   0.00107  -0.00068  -0.01316  -0.01380   1.08956
   D98        3.14034   0.00011  -0.00056  -0.02420  -0.02481   3.11553
   D99        0.99880   0.00014  -0.00079  -0.02337  -0.02416   0.97465
   D100      -0.98927   0.00057  -0.00036  -0.01106  -0.01141  -1.00067
   D101       1.19931  -0.00092  -0.00363  -0.00771  -0.01135   1.18796
   D102      -0.92635  -0.00030  -0.00317  -0.02256  -0.02571  -0.95206
   D103      -2.94586  -0.00070  -0.00415  -0.02532  -0.02942  -2.97529
   D104      -2.94429  -0.00066  -0.00306  -0.02229  -0.02536  -2.96965
   D105       1.21323  -0.00004  -0.00259  -0.03714  -0.03971   1.17352
   D106      -0.80628  -0.00044  -0.00358  -0.03989  -0.04343  -0.84971
   D107      -0.87517   0.00035  -0.00277  -0.00775  -0.01058  -0.88575
   D108      -3.00082   0.00097  -0.00230  -0.02261  -0.02494  -3.02576
   D109       1.26285   0.00057  -0.00329  -0.02536  -0.02866   1.23419
   D110      -1.54836   0.00021  -0.00065  -0.00921  -0.00983  -1.55819
   D111       1.58994   0.00041  -0.00051   0.00260   0.00209   1.59202
   D112       0.58087   0.00025  -0.00064  -0.01147  -0.01210   0.56877
   D113      -2.56402   0.00045  -0.00050   0.00034  -0.00018  -2.56420
   D114       2.59589  -0.00045  -0.00089  -0.02446  -0.02534   2.57055
   D115      -0.54899  -0.00025  -0.00076  -0.01265  -0.01342  -0.56242
   D116       3.13708   0.00007   0.00009   0.00506   0.00515  -3.14096
   D117      -0.01025   0.00001   0.00012   0.00274   0.00287  -0.00738
   D118      -0.00126  -0.00012  -0.00004  -0.00659  -0.00664  -0.00791
   D119       3.13460  -0.00019  -0.00001  -0.00890  -0.00892   3.12567
   D120      -3.13761  -0.00007  -0.00006  -0.00434  -0.00441   3.14117
   D121       0.00931   0.00001  -0.00002  -0.00046  -0.00049   0.00882
   D122       0.00072   0.00013   0.00007   0.00736   0.00744   0.00815
   D123      -3.13555   0.00021   0.00012   0.01124   0.01135  -3.12420
   D124      -0.00009   0.00004  -0.00001   0.00161   0.00160   0.00151
   D125       3.13900   0.00000   0.00000   0.00006   0.00005   3.13905
   D126      -3.13597   0.00010  -0.00004   0.00392   0.00388  -3.13209
   D127       0.00313   0.00007  -0.00004   0.00237   0.00232   0.00545
   D128       0.00200   0.00005   0.00003   0.00265   0.00268   0.00467
   D129      -3.14133  -0.00005   0.00006  -0.00130  -0.00125   3.14060
   D130      -3.13709   0.00008   0.00003   0.00421   0.00423  -3.13286
   D131       0.00277  -0.00002   0.00005   0.00026   0.00030   0.00307
   D132      -0.00254  -0.00004  -0.00001  -0.00187  -0.00188  -0.00442
   D133       3.13793  -0.00011  -0.00001  -0.00451  -0.00452   3.13341
   D134       3.14079   0.00006  -0.00003   0.00208   0.00205  -3.14035
   D135      -0.00192  -0.00001  -0.00003  -0.00055  -0.00059  -0.00251
   D136       0.00119  -0.00004  -0.00004  -0.00316  -0.00320  -0.00201
   D137       3.13750  -0.00013  -0.00009  -0.00703  -0.00712   3.13037
   D138      -3.13928   0.00002  -0.00005  -0.00053  -0.00057  -3.13986
   D139      -0.00297  -0.00007  -0.00009  -0.00440  -0.00450  -0.00747
   D140      -1.46807   0.00073   0.00283   0.06984   0.07267  -1.39539
   D141       2.81753   0.00041   0.00302   0.07152   0.07454   2.89208
   D142       0.64219  -0.00054   0.00169   0.05649   0.05820   0.70039
   D143       0.67311  -0.00014   0.00234   0.07466   0.07700   0.75011
   D144      -1.32447  -0.00046   0.00253   0.07635   0.07887  -1.24560
   D145       2.78337  -0.00141   0.00119   0.06132   0.06253   2.84589
   D146       2.68536   0.00101   0.00360   0.09089   0.09448   2.77984
   D147       0.68777   0.00069   0.00379   0.09257   0.09635   0.78412
   D148      -1.48758  -0.00026   0.00245   0.07755   0.08001  -1.40757
   D149       2.24022  -0.00108   0.00054   0.02446   0.02504   2.26526
   D150      -1.96505   0.00035   0.00237   0.01573   0.01811  -1.94695
   D151       0.11005   0.00053   0.00159   0.03784   0.03939   0.14944
   D152      -1.07542  -0.00061  -0.00463  -0.02132  -0.02595  -1.10137
   D153       3.05325  -0.00045  -0.00414  -0.01218  -0.01628   3.03697
   D154       1.04291  -0.00047  -0.00323  -0.02491  -0.02820   1.01471
   D155      -3.09028   0.00044  -0.00455  -0.01147  -0.01599  -3.10627
   D156       1.03839   0.00060  -0.00407  -0.00233  -0.00632   1.03207
   D157      -0.97195   0.00058  -0.00316  -0.01506  -0.01825  -0.99019
   D158       1.11750   0.00009  -0.00350  -0.01877  -0.02229   1.09520
   D159      -1.03702   0.00026  -0.00302  -0.00963  -0.01262  -1.04964
   D160      -3.04736   0.00023  -0.00211  -0.02236  -0.02455  -3.07191
   D161       3.01217   0.00022   0.00209   0.00932   0.01140   3.02357
   D162      -1.12705   0.00053   0.00249   0.01929   0.02177  -1.10528
   D163       0.87230   0.00039   0.00247   0.01748   0.01994   0.89224
   D164      -1.14534  -0.00030  -0.00041   0.02203   0.02160  -1.12374
   D165       0.99862   0.00001  -0.00001   0.03200   0.03197   1.03059
   D166       2.99797  -0.00012  -0.00003   0.03019   0.03014   3.02811
   D167       0.92157  -0.00058   0.00012   0.00210   0.00225   0.92381
   D168       3.06553  -0.00027   0.00052   0.01207   0.01262   3.07815
   D169      -1.21831  -0.00040   0.00050   0.01026   0.01078  -1.20752
   D170       1.16664  -0.00038  -0.00624  -0.02916  -0.03541   1.13123
   D171      -2.15231   0.00021   0.00195   0.00476   0.00666  -2.14564
   D172      -0.98497  -0.00048  -0.00575  -0.02872  -0.03439  -1.01936
   D173       1.97927   0.00010   0.00244   0.00520   0.00768   1.98695
   D174      -3.09238   0.00005  -0.00637  -0.00758  -0.01397  -3.10636
   D175      -0.12814   0.00064   0.00181   0.02634   0.02810  -0.10005
   D176       1.73273   0.00017  -0.00026  -0.00522  -0.00547   1.72726
   D177      -1.40507   0.00015  -0.00030  -0.00646  -0.00675  -1.41182
   D178      -0.40111  -0.00004  -0.00058  -0.01315  -0.01374  -0.41485
   D179       2.74427  -0.00005  -0.00061  -0.01439  -0.01501   2.72926
   D180      -2.41609  -0.00001  -0.00070  -0.01392  -0.01461  -2.43070
   D181       0.72929  -0.00002  -0.00073  -0.01516  -0.01589   0.71341
   D182      -3.13946   0.00001  -0.00002  -0.00018  -0.00021  -3.13966
   D183       0.00507  -0.00001  -0.00006  -0.00162  -0.00168   0.00339
   D184      -0.00162   0.00002   0.00001   0.00104   0.00105  -0.00058
   D185      -3.14028   0.00000  -0.00003  -0.00040  -0.00043  -3.14071
   D186       3.13923  -0.00001   0.00004   0.00055   0.00059   3.13982
   D187      -0.00561   0.00001   0.00005   0.00153   0.00159  -0.00402
   D188       0.00139  -0.00001   0.00000  -0.00066  -0.00066   0.00073
   D189       3.13973   0.00000   0.00002   0.00033   0.00035   3.14008
   D190       0.00119  -0.00001  -0.00002  -0.00069  -0.00071   0.00048
   D191      -3.13932  -0.00002  -0.00003  -0.00142  -0.00145  -3.14078
   D192       3.13985   0.00001   0.00002   0.00074   0.00076   3.14062
   D193      -0.00066   0.00000   0.00000   0.00001   0.00002  -0.00065
   D194      -0.00051  -0.00001   0.00001  -0.00004  -0.00003  -0.00054
   D195      -3.14043  -0.00001   0.00000  -0.00023  -0.00023  -3.14066
   D196       3.14001   0.00001   0.00002   0.00068   0.00071   3.14072
   D197       0.00009   0.00001   0.00002   0.00049   0.00051   0.00060
   D198       0.00028   0.00001   0.00001   0.00042   0.00042   0.00070
   D199      -3.13996   0.00000   0.00001   0.00012   0.00013  -3.13983
   D200       3.14019   0.00001   0.00001   0.00061   0.00062   3.14082
   D201      -0.00005   0.00000   0.00002   0.00032   0.00033   0.00029
   D202      -0.00073   0.00000  -0.00001  -0.00006  -0.00007  -0.00080
   D203      -3.13906  -0.00002  -0.00003  -0.00107  -0.00110  -3.14016
   D204       3.13952   0.00001  -0.00002   0.00023   0.00022   3.13973
   D205       0.00118  -0.00001  -0.00003  -0.00078  -0.00081   0.00037
   D206      -0.04062  -0.00135   0.00394  -0.07483  -0.07087  -0.11148
   D207       3.06131   0.00175   0.01752   0.04064   0.05820   3.11950
   D208      -3.00142  -0.00190  -0.00442  -0.10899  -0.11345  -3.11487
   D209       0.10051   0.00120   0.00916   0.00648   0.01561   0.11612
   D210       2.84726  -0.00102  -0.01204  -0.02076  -0.03259   2.81467
   D211      -0.33103   0.00185   0.00053   0.08619   0.08650  -0.24453
   D212      -1.51959   0.00024   0.00581  -0.00634  -0.00047  -1.52006
   D213       2.67621   0.00017   0.00557   0.00903   0.01464   2.69085
   D214       0.63305   0.00071   0.00476   0.01621   0.02086   0.65392
   D215      -0.23947   0.00013   0.00283   0.02673   0.02957  -0.20990
   D216       2.87971   0.00023   0.00084   0.04442   0.04526   2.92497
   D217       1.73346  -0.00095   0.00215  -0.00048   0.00165   1.73511
   D218      -1.43054  -0.00085   0.00016   0.01721   0.01733  -1.41321
   D219      -2.36519   0.00057   0.00401   0.02299   0.02703  -2.33816
   D220       0.75399   0.00067   0.00202   0.04068   0.04271   0.79670
   D221       3.11760   0.00011  -0.00231   0.02085   0.01857   3.13617
   D222      -0.03293   0.00018  -0.00074   0.01963   0.01891  -0.01401
   D223      -0.00358   0.00002  -0.00050   0.00482   0.00431   0.00073
   D224       3.12908   0.00009   0.00107   0.00360   0.00465   3.13374
   D225      -3.12397  -0.00009   0.00181  -0.01740  -0.01557  -3.13954
   D226      -0.00064  -0.00002   0.00019  -0.00297  -0.00279  -0.00343
   D227       0.00754   0.00000   0.00064  -0.00451  -0.00386   0.00368
   D228      -3.12589  -0.00007  -0.00079  -0.00346  -0.00424  -3.13013
   D229      -0.00775  -0.00002  -0.00047   0.00195   0.00149  -0.00627
   D230       3.13491   0.00003  -0.00005   0.00309   0.00304   3.13795
   D231       0.00497   0.00002   0.00017   0.00058   0.00074   0.00572
   D232      -3.13763  -0.00002  -0.00022  -0.00049  -0.00072  -3.13834
   D233       0.17585  -0.00046   0.00022  -0.01044  -0.01025   0.16560
   D234       2.32146  -0.00105  -0.00108  -0.03755  -0.03857   2.28289
   D235      -1.90590  -0.00053  -0.00010  -0.01925  -0.01931  -1.92521
   D236      -2.01937   0.00135  -0.00013   0.02280   0.02271  -1.99667
   D237       0.12624   0.00077  -0.00143  -0.00431  -0.00562   0.12062
   D238       2.18207   0.00129  -0.00044   0.01399   0.01364   2.19571
   D239       2.21131   0.00005   0.00025   0.00010   0.00020   2.21151
   D240      -1.92627  -0.00053  -0.00104  -0.02701  -0.02812  -1.95439
   D241       0.12956  -0.00002  -0.00006  -0.00871  -0.00886   0.12070
   D242       2.93568   0.00050  -0.00200  -0.02350  -0.02548   2.91021
   D243      -1.27347   0.00109  -0.00199  -0.01515  -0.01713  -1.29060
   D244       0.86064   0.00034  -0.00239  -0.03164  -0.03397   0.82667
   D245      -1.11916  -0.00090  -0.00191  -0.05723  -0.05917  -1.17833
   D246       0.95487  -0.00031  -0.00190  -0.04888  -0.05082   0.90405
   D247       3.08897  -0.00106  -0.00230  -0.06537  -0.06766   3.02132
   D248       0.92387   0.00063  -0.00153  -0.02278  -0.02433   0.89954
   D249       2.99791   0.00122  -0.00152  -0.01443  -0.01598   2.98192
   D250      -1.15118   0.00047  -0.00191  -0.03092  -0.03282  -1.18400
   D251       0.00257  -0.00006  -0.00001  -0.00245  -0.00245   0.00012
   D252       3.12170   0.00028  -0.00033   0.00838   0.00804   3.12974
         Item               Value     Threshold  Converged?
 Maximum Force            0.006373     0.000450     NO 
 RMS     Force            0.000923     0.000300     NO 
 Maximum Displacement     0.544992     0.001800     NO 
 RMS     Displacement     0.124212     0.001200     NO 
 Predicted change in Energy=-1.926642D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.724231   -2.655139    0.102740
      2          6           0       -9.406472   -1.387030   -0.692311
      3          6           0      -10.380003   -0.251147   -0.354549
      4          6           0       -8.001726   -0.923923   -0.469026
      5          7           0       -7.239912   -0.309417   -1.341146
      6          6           0       -5.964747    0.020844   -0.808689
      7          6           0       -5.001926    0.723247   -1.726276
      8          7           0       -4.639036    2.078538   -1.255695
      9          6           0       -5.678622    3.127275   -1.424698
     10          6           0       -3.631849    2.331037   -0.298951
     11          8           0       -3.446555    3.459518    0.144327
     12          7           0       -2.832316    1.230337    0.139524
     13          6           0       -1.534598    1.562206    0.785654
     14          6           0       -0.420376    1.457586   -0.273550
     15          8           0       -0.529094    0.741946   -1.262661
     16          7           0        0.674764    2.283062   -0.088088
     17          6           0        1.785707    2.328559   -1.072294
     18          6           0        1.963860    3.786849   -1.573316
     19          6           0        2.311866    4.773554   -0.493052
     20          6           0        1.292236    5.433355    0.212112
     21          6           0        1.614151    6.350799    1.215389
     22          6           0        2.951829    6.619102    1.522362
     23          6           0        3.969249    5.969110    0.816753
     24          6           0        3.654002    5.050382   -0.188323
     25          6           0        3.085908    1.781911   -0.453281
     26          6           0        3.014323    0.277998   -0.171403
     27          8           0        2.284675    0.134909    1.062583
     28          6           0        4.428629   -0.326278    0.111947
     29          6           0        5.348935   -0.196533   -1.119055
     30          6           0        6.755719   -0.623606   -0.808424
     31          6           0        7.195285   -1.908566   -1.161472
     32          6           0        8.503397   -2.303779   -0.869254
     33          6           0        9.378513   -1.423493   -0.224792
     34          6           0        8.941230   -0.142851    0.127262
     35          6           0        7.633976    0.259092   -0.161810
     36          7           0        4.295262   -1.752645    0.521675
     37          6           0        3.810000   -2.715293   -0.340723
     38          8           0        3.338093   -2.581865   -1.450311
     39          8           0        3.836190   -3.946998    0.329020
     40          6           0        2.990839   -4.993771   -0.232923
     41          6           0        1.627520   -4.891649    0.331028
     42          6           0        1.168549   -4.157201    1.388780
     43          7           0       -0.213332   -4.287596    1.659154
     44          6           0       -0.806468   -5.108230    0.830790
     45         16           0        0.308415   -5.789257   -0.375044
     46          6           0       -1.294431    0.594962    1.974531
     47          6           0       -0.950864   -0.824960    1.522041
     48          6           0       -0.219939    1.177103    2.894676
     49          6           0       -5.760740   -0.352578    0.488192
     50         16           0       -7.181423   -1.143258    1.100239
     51          1           0      -10.766911   -2.961062   -0.053603
     52          1           0       -9.087193   -3.494374   -0.201692
     53          1           0       -9.601280   -2.520715    1.184430
     54          1           0       -9.511137   -1.632145   -1.788481
     55          1           0      -10.441504   -0.070351    0.725482
     56          1           0      -10.076972    0.691915   -0.827470
     57          1           0      -11.392198   -0.484536   -0.704242
     58          1           0       -4.080281    0.105814   -1.861458
     59          1           0       -5.450007    0.815700   -2.749846
     60          1           0       -6.124500    3.055026   -2.428461
     61          1           0       -5.218206    4.128671   -1.311985
     62          1           0       -6.480857    3.037485   -0.672566
     63          1           0       -2.801896    0.378350   -0.436629
     64          1           0       -1.589820    2.618113    1.185867
     65          1           0        0.825898    2.780314    0.786064
     66          1           0        1.501502    1.683858   -1.953587
     67          1           0        1.023007    4.099778   -2.080100
     68          1           0        2.729791    3.804062   -2.374691
     69          1           0        0.246807    5.236355   -0.027271
     70          1           0        0.818324    6.861224    1.757260
     71          1           0        3.200232    7.334518    2.303299
     72          1           0        5.012087    6.181212    1.047821
     73          1           0        4.451526    4.557556   -0.738883
     74          1           0        3.320847    2.325744    0.485125
     75          1           0        3.922496    1.991214   -1.151847
     76          1           0        2.494859   -0.272420   -0.988458
     77          1           0        1.563755   -0.523040    0.959709
     78          1           0        4.878084    0.214239    0.988414
     79          1           0        4.930241   -0.789464   -1.965686
     80          1           0        5.340554    0.855747   -1.478049
     81          1           0        6.517979   -2.597317   -1.664219
     82          1           0        8.841237   -3.301814   -1.145556
     83          1           0       10.396720   -1.733556    0.000718
     84          1           0        9.621068    0.544982    0.627600
     85          1           0        7.303780    1.257438    0.114769
     86          1           0        4.685207   -2.025847    1.420884
     87          1           0        3.525087   -5.905944    0.114610
     88          1           0        3.015143   -4.919029   -1.341436
     89          1           0        1.752880   -3.504070    2.030832
     90          1           0       -1.856933   -5.374962    0.834470
     91          1           0       -2.259499    0.557541    2.548674
     92          1           0       -0.765316   -0.901902    0.442344
     93          1           0       -0.062497   -1.219104    2.029306
     94          1           0       -1.765689   -1.524296    1.746122
     95          1           0       -0.196934    0.641709    3.851883
     96          1           0        0.788662    1.098491    2.462101
     97          1           0       -0.400545    2.231945    3.122956
     98          1           0       -4.886348   -0.202531    1.104190
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0652652      0.0271523      0.0203936
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3518.0337420172 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.241391827510     A.U. after   19 cycles
             Convg  =    0.6405D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000265208   -0.000229116    0.000528610
      2        6           0.000337731    0.001236702    0.000108663
      3        6           0.000252848   -0.000450058    0.000740478
      4        6           0.000197058   -0.000230749    0.001153972
      5        7          -0.001556761   -0.000462182   -0.000929718
      6        6           0.000659590    0.000663247    0.000212552
      7        6           0.000899000   -0.001469564    0.000822782
      8        7          -0.002825242    0.000208840   -0.002595952
      9        6           0.000377127   -0.000561578    0.002182142
     10        6          -0.001675455    0.000833160    0.002183611
     11        8          -0.000193925    0.000653706    0.000478593
     12        7           0.002683499   -0.001866983   -0.000415513
     13        6           0.002343157    0.002487143   -0.002233640
     14        6           0.002203065    0.000494474   -0.003278865
     15        8          -0.001138896    0.000896357    0.000750434
     16        7          -0.000964784   -0.000632830   -0.001941713
     17        6           0.000386946   -0.001347047   -0.001264155
     18        6           0.000215094    0.001099712    0.000977832
     19        6          -0.000069162    0.000652092    0.000331144
     20        6          -0.000360142   -0.000028536    0.000223874
     21        6           0.000225330    0.000205322   -0.000020203
     22        6          -0.000384690   -0.000043831   -0.000054420
     23        6          -0.000085263    0.000140654   -0.000048643
     24        6           0.000354628    0.000048799   -0.000025102
     25        6          -0.001685500   -0.000126601   -0.001300126
     26        6          -0.000567307   -0.000267871    0.001802709
     27        8          -0.000770932   -0.000937912    0.000350537
     28        6          -0.001488430    0.001472235    0.000523883
     29        6           0.000534766   -0.000586200   -0.000797681
     30        6           0.000295845    0.000332083   -0.000141537
     31        6          -0.000335569   -0.000428942    0.000010881
     32        6           0.000052652    0.000265820    0.000049926
     33        6          -0.000045600    0.000089964    0.000036632
     34        6           0.000345291    0.000006714   -0.000152815
     35        6          -0.000651990   -0.000314152    0.000320310
     36        7           0.000279857    0.000363358   -0.001912075
     37        6           0.008060165   -0.001857194    0.003544629
     38        8          -0.002722624    0.001205257   -0.002204842
     39        8          -0.001194260    0.000044903   -0.000556800
     40        6          -0.002294784   -0.001451074    0.000285064
     41        6           0.000120939    0.000365312   -0.000953284
     42        6           0.001663842    0.000742199    0.000781831
     43        7          -0.000679652   -0.001360484   -0.000311358
     44        6          -0.000384739    0.000966699   -0.000193811
     45       16           0.000021628   -0.000396853   -0.000003007
     46        6           0.001356072   -0.000168547    0.001357767
     47        6          -0.000608951    0.001244874    0.000933270
     48        6          -0.000904311   -0.000753725    0.000303170
     49        6           0.000169246   -0.000216638    0.000591479
     50       16          -0.000134315   -0.000508727   -0.000302313
     51        1          -0.000446821    0.000296699   -0.000220084
     52        1          -0.000060532   -0.000159292   -0.000020498
     53        1           0.000272544   -0.000032452   -0.000079311
     54        1           0.000315313   -0.000406107   -0.000703842
     55        1          -0.000307285   -0.000093186   -0.000191042
     56        1          -0.000021568    0.000292728   -0.000248918
     57        1          -0.000133447   -0.000034261    0.000025654
     58        1           0.000159725   -0.000290751    0.000013123
     59        1           0.000149035   -0.000272521   -0.000295187
     60        1          -0.000361178   -0.000027057   -0.000213788
     61        1          -0.000420210    0.000279361    0.000254824
     62        1          -0.000136386    0.000447409   -0.000056935
     63        1          -0.000982200   -0.001699331   -0.001168407
     64        1           0.001212992    0.001065187   -0.000774050
     65        1           0.000131647   -0.000621926    0.000077285
     66        1           0.000816475    0.000291184   -0.000629170
     67        1          -0.000007521   -0.000049760    0.000283585
     68        1          -0.000155664    0.000127679    0.000381288
     69        1          -0.000051512   -0.000004271   -0.000013308
     70        1          -0.000053561    0.000057467    0.000016397
     71        1           0.000037054    0.000046184    0.000021086
     72        1           0.000123066   -0.000012117    0.000021756
     73        1           0.000030185   -0.000069743    0.000094568
     74        1           0.000047387   -0.000185589    0.000550824
     75        1          -0.000550639   -0.001251689    0.000101113
     76        1          -0.000300045    0.000503819    0.000917991
     77        1           0.000295978    0.000322144    0.000183227
     78        1           0.000287242    0.000211331    0.000254065
     79        1          -0.000030249   -0.000094338    0.000200015
     80        1           0.000070612    0.000315723   -0.000199305
     81        1          -0.000088390    0.000101675    0.000008719
     82        1          -0.000010918   -0.000077994   -0.000028306
     83        1           0.000038248    0.000042353   -0.000009453
     84        1          -0.000006413   -0.000037729   -0.000004873
     85        1           0.000149804    0.000083909   -0.000061895
     86        1          -0.000108528   -0.000114538    0.000227905
     87        1           0.000132523    0.000259128   -0.000411889
     88        1           0.000456809    0.000562915    0.000089099
     89        1          -0.000204211   -0.000031719   -0.000121955
     90        1          -0.000230397   -0.000438731    0.000022131
     91        1          -0.000165693   -0.000220576    0.000207329
     92        1           0.000098459    0.000710005    0.000374051
     93        1          -0.000092496    0.000206191    0.000880139
     94        1          -0.000242119    0.000185140    0.000277661
     95        1          -0.000371195    0.000094816    0.000028683
     96        1          -0.000533650    0.000125365    0.000089342
     97        1           0.000484279   -0.000732759    0.000432113
     98        1           0.000186158    0.000307787   -0.000530958
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008060165 RMS     0.000946360

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.004876050 RMS     0.000736780
 Search for a local minimum.
 Step number  14 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   11   13   14
 DE=  3.24D-04 DEPred=-1.93D-03 R=-1.68D-01
 Trust test=-1.68D-01 RLast= 6.20D-01 DXMaxT set to 3.00D-01
     Eigenvalues ---    0.00205   0.00322   0.00382   0.00427   0.00521
     Eigenvalues ---    0.00589   0.00634   0.00651   0.00682   0.00802
     Eigenvalues ---    0.00886   0.00899   0.00918   0.00936   0.00993
     Eigenvalues ---    0.01030   0.01088   0.01152   0.01210   0.01249
     Eigenvalues ---    0.01270   0.01304   0.01362   0.01396   0.01436
     Eigenvalues ---    0.01451   0.01489   0.01547   0.01553   0.01595
     Eigenvalues ---    0.01613   0.01672   0.01748   0.01881   0.01899
     Eigenvalues ---    0.01932   0.01970   0.01985   0.02078   0.02179
     Eigenvalues ---    0.02194   0.02203   0.02216   0.02220   0.02258
     Eigenvalues ---    0.02268   0.02290   0.02328   0.02374   0.02406
     Eigenvalues ---    0.02408   0.02414   0.02448   0.02483   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02606   0.02701   0.02732
     Eigenvalues ---    0.03109   0.03290   0.03825   0.04012   0.04100
     Eigenvalues ---    0.04218   0.04226   0.04330   0.04496   0.04815
     Eigenvalues ---    0.04835   0.04901   0.04920   0.05000   0.05021
     Eigenvalues ---    0.05077   0.05175   0.05296   0.05412   0.05472
     Eigenvalues ---    0.05519   0.05527   0.05556   0.05626   0.05658
     Eigenvalues ---    0.05772   0.05804   0.05819   0.05852   0.05916
     Eigenvalues ---    0.05988   0.06164   0.06280   0.06465   0.06793
     Eigenvalues ---    0.06895   0.07198   0.07335   0.07438   0.07845
     Eigenvalues ---    0.07931   0.08621   0.09447   0.09852   0.10203
     Eigenvalues ---    0.12003   0.12505   0.12887   0.13126   0.13360
     Eigenvalues ---    0.13876   0.13960   0.14362   0.15828   0.15903
     Eigenvalues ---    0.15947   0.15957   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16003   0.16010   0.16029   0.16054
     Eigenvalues ---    0.16062   0.16091   0.16163   0.16180   0.16934
     Eigenvalues ---    0.16946   0.17042   0.17557   0.17731   0.17959
     Eigenvalues ---    0.18132   0.18288   0.19008   0.20243   0.21005
     Eigenvalues ---    0.21304   0.21749   0.21858   0.21929   0.21995
     Eigenvalues ---    0.22000   0.22000   0.22007   0.22070   0.22126
     Eigenvalues ---    0.22526   0.23123   0.23262   0.23445   0.23485
     Eigenvalues ---    0.23669   0.23738   0.23953   0.24240   0.24595
     Eigenvalues ---    0.24879   0.24939   0.24973   0.24994   0.24998
     Eigenvalues ---    0.25001   0.25013   0.25043   0.25051   0.25472
     Eigenvalues ---    0.28869   0.29425   0.29573   0.29755   0.29903
     Eigenvalues ---    0.30045   0.30137   0.30243   0.30377   0.30711
     Eigenvalues ---    0.30922   0.31132   0.31330   0.31420   0.31432
     Eigenvalues ---    0.31495   0.31526   0.31563   0.31663   0.31989
     Eigenvalues ---    0.32090   0.32380   0.32418   0.32443   0.32592
     Eigenvalues ---    0.32661   0.32776   0.32793   0.32812   0.32942
     Eigenvalues ---    0.33001   0.33013   0.33060   0.33099   0.33161
     Eigenvalues ---    0.33201   0.33278   0.33414   0.33563   0.33584
     Eigenvalues ---    0.33671   0.33680   0.33794   0.33916   0.33989
     Eigenvalues ---    0.33994   0.34166   0.34230   0.34270   0.34334
     Eigenvalues ---    0.34365   0.34395   0.34500   0.34543   0.34704
     Eigenvalues ---    0.34723   0.35189   0.35982   0.36250   0.36287
     Eigenvalues ---    0.36317   0.36376   0.36638   0.36842   0.36960
     Eigenvalues ---    0.37414   0.38520   0.38852   0.39375   0.40719
     Eigenvalues ---    0.41354   0.41849   0.42536   0.42779   0.43167
     Eigenvalues ---    0.43360   0.44191   0.44487   0.45078   0.45308
     Eigenvalues ---    0.45401   0.47467   0.47572   0.48370   0.48517
     Eigenvalues ---    0.48605   0.48933   0.49232   0.49935   0.50333
     Eigenvalues ---    0.50928   0.51240   0.51396   0.55227   0.56509
     Eigenvalues ---    0.58174   0.59168   0.62566   0.65177   0.75865
     Eigenvalues ---    0.77925   0.83699   0.949361000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    14   13
 RFO step:  Lambda=-6.97235169D-04.
 DIIS coeffs:      0.47067      0.52933
 Maximum step size (   0.300) exceeded in Quadratic search.
    -- Step size scaled by   0.407
 Iteration  1 RMS(Cart)=  0.04099954 RMS(Int)=  0.00041647
 Iteration  2 RMS(Cart)=  0.00148553 RMS(Int)=  0.00007822
 Iteration  3 RMS(Cart)=  0.00000087 RMS(Int)=  0.00007822
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89145   0.00016  -0.00021   0.00011  -0.00010   2.89135
    R2        2.07458  -0.00019  -0.00047   0.00015  -0.00032   2.07427
    R3        2.07252  -0.00004  -0.00001   0.00008   0.00007   2.07258
    R4        2.07288   0.00001  -0.00016  -0.00005  -0.00021   2.07268
    R5        2.89817  -0.00016   0.00060  -0.00022   0.00038   2.89855
    R6        2.82679   0.00063   0.00127  -0.00044   0.00083   2.82762
    R7        2.13181   0.00002  -0.00030  -0.00009  -0.00039   2.13142
    R8        2.07262  -0.00015  -0.00050   0.00001  -0.00050   2.07213
    R9        2.07427   0.00010   0.00067  -0.00035   0.00032   2.07459
   R10        2.07121  -0.00012  -0.00050   0.00018  -0.00032   2.07089
   R11        2.47732   0.00131   0.00135  -0.00068   0.00067   2.47799
   R12        3.37177   0.00008   0.00119  -0.00006   0.00114   3.37291
   R13        2.68489  -0.00090  -0.00197   0.00091  -0.00106   2.68383
   R14        2.84237   0.00010   0.00186  -0.00129   0.00056   2.84293
   R15        2.57930  -0.00009   0.00028  -0.00018   0.00010   2.57939
   R16        2.79651  -0.00173  -0.00002   0.00098   0.00096   2.79747
   R17        2.11187  -0.00020  -0.00041   0.00012  -0.00029   2.11158
   R18        2.11870   0.00007  -0.00044   0.00039  -0.00005   2.11866
   R19        2.80874  -0.00167  -0.00096   0.00087  -0.00008   2.80866
   R20        2.66816  -0.00248  -0.00081   0.00182   0.00100   2.66916
   R21        2.08004   0.00006   0.00045   0.00007   0.00052   2.08057
   R22        2.09366  -0.00031  -0.00023   0.00005  -0.00018   2.09348
   R23        2.08500  -0.00020  -0.00005  -0.00042  -0.00047   2.08452
   R24        2.31775  -0.00080   0.00076  -0.00129  -0.00053   2.31722
   R25        2.70109  -0.00475   0.00004   0.00205   0.00209   2.70318
   R26        2.81036  -0.00453   0.00042  -0.00012   0.00030   2.81066
   R27        1.94445  -0.00138   0.00114   0.00248   0.00362   1.94807
   R28        2.91187   0.00159   0.00100  -0.00066   0.00034   2.91221
   R29        2.93162   0.00488   0.00547  -0.00039   0.00508   2.93669
   R30        2.13644  -0.00020  -0.00038  -0.00039  -0.00076   2.13568
   R31        2.31621   0.00097   0.00189  -0.00083   0.00106   2.31726
   R32        2.61516   0.00236   0.00056   0.00015   0.00071   2.61587
   R33        2.80605  -0.00029  -0.00029   0.00072   0.00042   2.80648
   R34        1.92181   0.00063   0.00162   0.00007   0.00170   1.92350
   R35        2.93326  -0.00298  -0.00374   0.00120  -0.00254   2.93072
   R36        2.91074   0.00216   0.00299  -0.00180   0.00119   2.91193
   R37        2.13220   0.00034   0.00244  -0.00101   0.00143   2.13363
   R38        2.84193  -0.00096  -0.00034   0.00042   0.00008   2.84201
   R39        2.10427  -0.00017  -0.00067   0.00026  -0.00041   2.10386
   R40        2.09508  -0.00006   0.00070  -0.00030   0.00040   2.09548
   R41        2.65386  -0.00042  -0.00028   0.00008  -0.00021   2.65366
   R42        2.65291  -0.00027   0.00010  -0.00002   0.00008   2.65299
   R43        2.64014  -0.00021   0.00001   0.00011   0.00012   2.64026
   R44        2.06061  -0.00004  -0.00001   0.00004   0.00002   2.06063
   R45        2.64265   0.00015   0.00030  -0.00010   0.00020   2.64285
   R46        2.05928  -0.00007  -0.00025   0.00008  -0.00017   2.05911
   R47        2.64259  -0.00020   0.00004   0.00007   0.00011   2.64270
   R48        2.05571  -0.00004  -0.00009   0.00002  -0.00007   2.05564
   R49        2.64131  -0.00020  -0.00029   0.00009  -0.00020   2.64111
   R50        2.05789  -0.00009  -0.00033   0.00019  -0.00014   2.05775
   R51        2.05454  -0.00006  -0.00007   0.00013   0.00006   2.05460
   R52        2.89463   0.00104   0.00153  -0.00059   0.00094   2.89557
   R53        2.09713   0.00035   0.00028   0.00075   0.00103   2.09817
   R54        2.09724   0.00037  -0.00039   0.00006  -0.00033   2.09691
   R55        2.72251   0.00025   0.00057  -0.00045   0.00012   2.72262
   R56        2.95529  -0.00255  -0.00099  -0.00035  -0.00134   2.95395
   R57        2.10463   0.00024   0.00175  -0.00094   0.00081   2.10545
   R58        1.85463   0.00047   0.00038   0.00070   0.00108   1.85572
   R59        2.91481   0.00020  -0.00130   0.00111  -0.00019   2.91462
   R60        2.81575  -0.00232  -0.00086  -0.00075  -0.00161   2.81414
   R61        2.12320  -0.00016   0.00008   0.00008   0.00015   2.12335
   R62        2.83958   0.00023   0.00001   0.00004   0.00005   2.83962
   R63        2.10741  -0.00014   0.00041   0.00030   0.00071   2.10812
   R64        2.10112   0.00004  -0.00035   0.00032  -0.00003   2.10108
   R65        2.65167   0.00013   0.00014   0.00003   0.00017   2.65185
   R66        2.65142   0.00022   0.00056  -0.00014   0.00042   2.65184
   R67        2.64071  -0.00014  -0.00048   0.00019  -0.00028   2.64043
   R68        2.05787   0.00007   0.00082  -0.00022   0.00060   2.05847
   R69        2.64296  -0.00006   0.00045  -0.00010   0.00035   2.64331
   R70        2.05846  -0.00006  -0.00033   0.00013  -0.00020   2.05826
   R71        2.64238   0.00012   0.00002   0.00004   0.00006   2.64244
   R72        2.05602  -0.00005  -0.00014   0.00000  -0.00014   2.05588
   R73        2.64159  -0.00031  -0.00043   0.00020  -0.00023   2.64135
   R74        2.05766   0.00004   0.00011   0.00000   0.00010   2.05776
   R75        2.05470   0.00005   0.00040  -0.00016   0.00024   2.05494
   R76        2.60885  -0.00134  -0.00092   0.00005  -0.00087   2.60798
   R77        1.92277   0.00027   0.00167  -0.00073   0.00093   1.92370
   R78        2.29248   0.00191   0.00242  -0.00096   0.00146   2.29394
   R79        2.64989  -0.00119  -0.00240   0.00033  -0.00207   2.64782
   R80        2.75546  -0.00129  -0.00149  -0.00026  -0.00176   2.75370
   R81        2.79469   0.00011   0.00142  -0.00087   0.00055   2.79524
   R82        2.10283  -0.00034  -0.00335   0.00133  -0.00203   2.10081
   R83        2.10005   0.00015   0.00149  -0.00013   0.00136   2.10140
   R84        2.58341   0.00030   0.00037   0.00008   0.00045   2.58386
   R85        3.29717  -0.00047  -0.00048  -0.00013  -0.00061   3.29656
   R86        2.67228  -0.00136  -0.00219   0.00063  -0.00155   2.67072
   R87        2.05299   0.00007   0.00096  -0.00029   0.00067   2.05366
   R88        2.47218   0.00053   0.00080  -0.00019   0.00062   2.47279
   R89        3.35968  -0.00012   0.00074  -0.00037   0.00037   3.36004
   R90        2.04810  -0.00041  -0.00134   0.00038  -0.00096   2.04714
   R91        2.89009   0.00321   0.00231  -0.00016   0.00215   2.89223
   R92        2.89078   0.00185   0.00101   0.00007   0.00107   2.89185
   R93        2.12323  -0.00007   0.00008   0.00004   0.00012   2.12335
   R94        2.07534   0.00014   0.00004  -0.00010  -0.00006   2.07528
   R95        2.07170   0.00052   0.00044  -0.00007   0.00037   2.07207
   R96        2.07287   0.00012   0.00022   0.00042   0.00064   2.07351
   R97        2.07304  -0.00001   0.00039  -0.00006   0.00033   2.07337
   R98        2.07919   0.00049  -0.00003   0.00023   0.00021   2.07940
   R99        2.06787   0.00055   0.00091  -0.00036   0.00055   2.06842
   R100       3.28297  -0.00044  -0.00070   0.00013  -0.00058   3.28239
   R101       2.04102  -0.00051  -0.00136   0.00112  -0.00024   2.04078
    A1        1.93285  -0.00013  -0.00098   0.00056  -0.00041   1.93243
    A2        1.94909  -0.00009  -0.00099   0.00053  -0.00045   1.94864
    A3        1.96877   0.00000  -0.00009  -0.00053  -0.00063   1.96815
    A4        1.87435  -0.00002  -0.00055  -0.00033  -0.00088   1.87347
    A5        1.85568   0.00016   0.00149   0.00018   0.00167   1.85735
    A6        1.87800   0.00010   0.00125  -0.00045   0.00080   1.87881
    A7        1.94719  -0.00003  -0.00008   0.00010   0.00003   1.94721
    A8        1.95416  -0.00003  -0.00076  -0.00054  -0.00129   1.95287
    A9        1.88132   0.00026   0.00477  -0.00119   0.00358   1.88490
   A10        1.91128  -0.00008  -0.00185   0.00037  -0.00147   1.90980
   A11        1.89234  -0.00011  -0.00093   0.00032  -0.00059   1.89175
   A12        1.87490  -0.00002  -0.00113   0.00096  -0.00016   1.87474
   A13        1.95471  -0.00006   0.00021   0.00004   0.00025   1.95496
   A14        1.94572  -0.00017  -0.00119   0.00004  -0.00115   1.94456
   A15        1.93719  -0.00004  -0.00011  -0.00010  -0.00021   1.93698
   A16        1.87352   0.00012   0.00035   0.00014   0.00049   1.87401
   A17        1.87286   0.00017   0.00204  -0.00046   0.00159   1.87445
   A18        1.87595  -0.00001  -0.00124   0.00035  -0.00089   1.87506
   A19        2.20376   0.00000   0.00063   0.00020   0.00084   2.20460
   A20        2.12346   0.00009  -0.00022  -0.00049  -0.00071   2.12276
   A21        1.95579  -0.00009  -0.00041   0.00027  -0.00014   1.95566
   A22        1.96190  -0.00033  -0.00031  -0.00002  -0.00033   1.96157
   A23        2.04254   0.00044   0.00012  -0.00019  -0.00007   2.04247
   A24        2.01157   0.00028   0.00094  -0.00033   0.00061   2.01218
   A25        2.22905  -0.00072  -0.00106   0.00050  -0.00055   2.22849
   A26        1.97215  -0.00030  -0.00017   0.00355   0.00338   1.97552
   A27        1.92165   0.00002  -0.00073  -0.00083  -0.00156   1.92009
   A28        1.91731   0.00040  -0.00065   0.00080   0.00016   1.91747
   A29        1.92007  -0.00021   0.00000  -0.00132  -0.00131   1.91876
   A30        1.88893  -0.00003   0.00011  -0.00222  -0.00211   1.88682
   A31        1.83871   0.00014   0.00157  -0.00027   0.00130   1.84001
   A32        2.02476   0.00036  -0.00250  -0.00418  -0.00685   2.01791
   A33        2.15818  -0.00095  -0.00457  -0.00373  -0.00851   2.14967
   A34        2.03734   0.00026  -0.00113  -0.00412  -0.00542   2.03192
   A35        1.91846  -0.00026  -0.00064  -0.00160  -0.00224   1.91622
   A36        1.91295  -0.00063  -0.00156  -0.00001  -0.00156   1.91139
   A37        1.95371   0.00013   0.00085   0.00194   0.00279   1.95650
   A38        1.89699   0.00015  -0.00126  -0.00068  -0.00193   1.89506
   A39        1.89840   0.00015  -0.00072   0.00048  -0.00023   1.89816
   A40        1.88217   0.00048   0.00332  -0.00018   0.00314   1.88531
   A41        2.11439   0.00075  -0.00154   0.00116  -0.00039   2.11400
   A42        2.05915  -0.00104   0.00171  -0.00120   0.00050   2.05966
   A43        2.10965   0.00028  -0.00017   0.00005  -0.00012   2.10953
   A44        2.03705  -0.00113  -0.00650  -0.00098  -0.00666   2.03039
   A45        2.07418   0.00089  -0.00815  -0.00231  -0.00942   2.06476
   A46        1.98477  -0.00054  -0.01196   0.00111  -0.00998   1.97479
   A47        1.89355   0.00066   0.00188   0.00029   0.00218   1.89573
   A48        1.90595  -0.00049  -0.00428  -0.00038  -0.00466   1.90128
   A49        1.89610  -0.00082  -0.00206   0.00108  -0.00098   1.89512
   A50        1.95251  -0.00021  -0.00050   0.00027  -0.00022   1.95229
   A51        1.91991  -0.00025   0.00185   0.00014   0.00200   1.92191
   A52        1.89504   0.00107   0.00293  -0.00137   0.00158   1.89662
   A53        2.12966   0.00030  -0.00310   0.00063  -0.00246   2.12720
   A54        2.02596   0.00051   0.00400  -0.00106   0.00295   2.02890
   A55        2.12541  -0.00071  -0.00066   0.00011  -0.00054   2.12487
   A56        2.11941  -0.00082   0.00035  -0.00130  -0.00094   2.11847
   A57        2.12287   0.00056  -0.00252   0.00047  -0.00204   2.12083
   A58        2.03036   0.00013   0.00041  -0.00078  -0.00036   2.03000
   A59        1.90561   0.00110   0.00132   0.00064   0.00197   1.90758
   A60        1.93296  -0.00093   0.00203  -0.00361  -0.00158   1.93138
   A61        1.88783  -0.00047  -0.00212  -0.00018  -0.00229   1.88554
   A62        1.94578  -0.00010  -0.00015   0.00209   0.00196   1.94774
   A63        1.88978  -0.00051  -0.00377   0.00187  -0.00190   1.88789
   A64        1.90047   0.00091   0.00245  -0.00076   0.00169   1.90216
   A65        1.99446  -0.00120  -0.00355   0.00139  -0.00216   1.99230
   A66        1.89014   0.00025   0.00172  -0.00014   0.00158   1.89172
   A67        1.90412   0.00008  -0.00061  -0.00023  -0.00082   1.90330
   A68        1.91565   0.00045   0.00100  -0.00082   0.00018   1.91582
   A69        1.92748   0.00050   0.00007   0.00014   0.00024   1.92771
   A70        1.82388   0.00002   0.00184  -0.00052   0.00132   1.82520
   A71        2.09546  -0.00004   0.00027  -0.00011   0.00016   2.09562
   A72        2.10195   0.00000   0.00052  -0.00029   0.00024   2.10219
   A73        2.08574   0.00004  -0.00078   0.00039  -0.00039   2.08535
   A74        2.09649   0.00005   0.00071  -0.00032   0.00039   2.09687
   A75        2.09552  -0.00005  -0.00023   0.00016  -0.00007   2.09545
   A76        2.09116   0.00001  -0.00048   0.00015  -0.00032   2.09083
   A77        2.09906  -0.00007  -0.00034   0.00010  -0.00024   2.09882
   A78        2.09024   0.00001  -0.00013   0.00007  -0.00006   2.09018
   A79        2.09388   0.00007   0.00048  -0.00018   0.00030   2.09418
   A80        2.08980  -0.00003  -0.00004   0.00004   0.00000   2.08980
   A81        2.09692  -0.00003  -0.00042   0.00016  -0.00025   2.09667
   A82        2.09645   0.00006   0.00046  -0.00021   0.00025   2.09670
   A83        2.09933  -0.00007  -0.00016   0.00006  -0.00010   2.09922
   A84        2.09339  -0.00005  -0.00076   0.00024  -0.00052   2.09288
   A85        2.09046   0.00012   0.00092  -0.00030   0.00062   2.09108
   A86        2.09593   0.00008   0.00063  -0.00029   0.00035   2.09628
   A87        2.09669   0.00002   0.00040  -0.00013   0.00027   2.09696
   A88        2.09052  -0.00010  -0.00102   0.00041  -0.00061   2.08991
   A89        1.96378  -0.00143   0.00072  -0.00310  -0.00237   1.96141
   A90        1.92262   0.00081   0.00067  -0.00056   0.00009   1.92272
   A91        1.89275   0.00053   0.00261   0.00185   0.00447   1.89722
   A92        1.91285  -0.00054  -0.00317  -0.00098  -0.00416   1.90869
   A93        1.91370   0.00120   0.00125   0.00357   0.00484   1.91854
   A94        1.85485  -0.00050  -0.00222  -0.00058  -0.00279   1.85207
   A95        1.85334  -0.00043   0.00190  -0.00264  -0.00073   1.85261
   A96        1.95029   0.00150   0.00094   0.00135   0.00228   1.95256
   A97        1.95198   0.00020   0.00111   0.00113   0.00225   1.95423
   A98        1.83843  -0.00069  -0.00098   0.00045  -0.00052   1.83792
   A99        1.92097   0.00044   0.00103  -0.00123  -0.00018   1.92079
   A100       1.94311  -0.00104  -0.00385   0.00067  -0.00318   1.93993
   A101       1.92711   0.00012  -0.00018   0.00024   0.00006   1.92718
   A102       1.94173   0.00042   0.00041  -0.00059  -0.00020   1.94153
   A103       1.91640  -0.00293  -0.00389  -0.00154  -0.00543   1.91097
   A104       1.89360   0.00059  -0.00262   0.00168  -0.00093   1.89267
   A105       1.93198   0.00210   0.00356   0.00041   0.00397   1.93595
   A106       1.92136  -0.00051   0.00157   0.00004   0.00162   1.92298
   A107       1.85649   0.00028   0.00077   0.00005   0.00087   1.85736
   A108       1.94948   0.00016  -0.00036   0.00037   0.00002   1.94950
   A109       1.91469  -0.00011  -0.00047   0.00014  -0.00033   1.91436
   A110       1.91006   0.00002   0.00120  -0.00017   0.00103   1.91109
   A111       1.93619  -0.00002  -0.00130   0.00051  -0.00078   1.93541
   A112       1.92068  -0.00003   0.00098  -0.00022   0.00077   1.92144
   A113       1.82889  -0.00004  -0.00001  -0.00071  -0.00072   1.82818
   A114       2.09616   0.00037   0.00125  -0.00054   0.00071   2.09687
   A115       2.09727  -0.00010   0.00009   0.00003   0.00012   2.09739
   A116       2.08975  -0.00027  -0.00134   0.00051  -0.00083   2.08892
   A117       2.09395   0.00018   0.00112  -0.00042   0.00070   2.09465
   A118       2.09497   0.00002  -0.00040   0.00011  -0.00029   2.09468
   A119       2.09426  -0.00020  -0.00072   0.00031  -0.00041   2.09386
   A120       2.09911  -0.00007  -0.00047   0.00016  -0.00031   2.09880
   A121       2.09026   0.00009   0.00100  -0.00028   0.00072   2.09097
   A122       2.09382  -0.00003  -0.00053   0.00013  -0.00041   2.09341
   A123       2.09070   0.00003   0.00005   0.00001   0.00006   2.09075
   A124       2.09637  -0.00005  -0.00058   0.00016  -0.00042   2.09595
   A125       2.09612   0.00002   0.00053  -0.00017   0.00037   2.09648
   A126       2.09872  -0.00001  -0.00021   0.00007  -0.00014   2.09858
   A127       2.09323   0.00001   0.00040  -0.00017   0.00022   2.09345
   A128       2.09124   0.00000  -0.00019   0.00010  -0.00009   2.09115
   A129       2.09415   0.00014   0.00085  -0.00033   0.00052   2.09466
   A130       2.09993  -0.00025  -0.00191   0.00068  -0.00123   2.09870
   A131       2.08911   0.00011   0.00106  -0.00035   0.00071   2.08982
   A132       2.12609  -0.00117  -0.00036  -0.00087  -0.00118   2.12491
   A133       2.05528   0.00060  -0.00001   0.00005   0.00008   2.05536
   A134       2.09387   0.00055  -0.00086   0.00077  -0.00005   2.09382
   A135       2.25416  -0.00011  -0.00165   0.00075  -0.00052   2.25363
   A136       1.88343   0.00021   0.00313  -0.00113   0.00237   1.88580
   A137       2.14210   0.00022  -0.00087   0.00073   0.00023   2.14232
   A138       2.02159  -0.00156   0.00021  -0.00144  -0.00123   2.02036
   A139       1.91549  -0.00174  -0.00032  -0.00158  -0.00190   1.91360
   A140       1.76173   0.00073   0.00475  -0.00099   0.00377   1.76550
   A141       1.90018   0.00108   0.00226  -0.00049   0.00177   1.90196
   A142       1.96070   0.00079   0.00079   0.00136   0.00218   1.96287
   A143       1.97784  -0.00056  -0.00471   0.00105  -0.00365   1.97419
   A144       1.93495  -0.00017  -0.00169   0.00030  -0.00135   1.93361
   A145       2.26744  -0.00043  -0.00056  -0.00019  -0.00074   2.26670
   A146       2.10262   0.00049   0.00120  -0.00017   0.00104   2.10366
   A147       1.91311  -0.00006  -0.00068   0.00036  -0.00031   1.91280
   A148       2.01139   0.00051   0.00154  -0.00060   0.00094   2.01233
   A149       2.21389  -0.00048  -0.00210   0.00024  -0.00185   2.21204
   A150       2.05787  -0.00003   0.00055   0.00036   0.00092   2.05879
   A151       1.96042  -0.00052  -0.00086   0.00015  -0.00071   1.95971
   A152       1.96648   0.00033   0.00012   0.00012   0.00025   1.96673
   A153       2.20393  -0.00045  -0.00045  -0.00009  -0.00055   2.20339
   A154       2.11277   0.00012   0.00033  -0.00003   0.00030   2.11307
   A155       1.57336  -0.00026  -0.00013  -0.00004  -0.00017   1.57319
   A156       1.96807   0.00100   0.00411  -0.00037   0.00375   1.97182
   A157       1.90968   0.00036   0.00359  -0.00188   0.00173   1.91142
   A158       1.85397  -0.00027  -0.00103  -0.00020  -0.00126   1.85271
   A159       1.95357  -0.00095  -0.00119   0.00074  -0.00037   1.95320
   A160       1.88938  -0.00047  -0.00519   0.00106  -0.00413   1.88525
   A161       1.88454   0.00033  -0.00076   0.00071  -0.00002   1.88452
   A162       1.97564   0.00085   0.00188  -0.00040   0.00149   1.97714
   A163       1.95944   0.00035   0.00096   0.00025   0.00122   1.96066
   A164       1.94401   0.00010  -0.00142  -0.00003  -0.00145   1.94255
   A165       1.86796  -0.00027   0.00297   0.00097   0.00396   1.87192
   A166       1.85633  -0.00059  -0.00173  -0.00067  -0.00241   1.85392
   A167       1.85272  -0.00058  -0.00302  -0.00010  -0.00312   1.84961
   A168       1.93249  -0.00007  -0.00129   0.00059  -0.00071   1.93178
   A169       1.96082  -0.00015   0.00034   0.00053   0.00088   1.96170
   A170       1.95670   0.00058   0.00196  -0.00103   0.00094   1.95763
   A171       1.86394  -0.00017  -0.00090  -0.00012  -0.00102   1.86292
   A172       1.86701  -0.00033  -0.00177  -0.00011  -0.00188   1.86513
   A173       1.87779   0.00010   0.00147   0.00014   0.00162   1.87940
   A174       1.91456   0.00027  -0.00012   0.00019   0.00007   1.91463
   A175       2.24581  -0.00052  -0.00018  -0.00083  -0.00101   2.24480
   A176       2.12274   0.00025   0.00025   0.00069   0.00095   2.12369
   A177       1.58096  -0.00013  -0.00010  -0.00012  -0.00022   1.58074
    D1        0.96485   0.00036   0.01024   0.01590   0.02614   0.99099
    D2        3.11393   0.00021   0.00722   0.01607   0.02329   3.13722
    D3       -1.11084   0.00034   0.00839   0.01620   0.02459  -1.08625
    D4        3.05288   0.00018   0.00825   0.01621   0.02446   3.07733
    D5       -1.08123   0.00004   0.00523   0.01638   0.02161  -1.05962
    D6        0.97718   0.00016   0.00640   0.01651   0.02291   1.00009
    D7       -1.11257   0.00025   0.00909   0.01563   0.02472  -1.08785
    D8        1.03651   0.00010   0.00607   0.01580   0.02187   1.05838
    D9        3.09492   0.00023   0.00724   0.01593   0.02317   3.11809
   D10        0.91712   0.00008   0.00604   0.02129   0.02733   0.94445
   D11        3.01671   0.00008   0.00580   0.02152   0.02732   3.04403
   D12       -1.17574  -0.00008   0.00337   0.02191   0.02528  -1.15045
   D13       -1.25619   0.00019   0.00840   0.02163   0.03003  -1.22617
   D14        0.84340   0.00019   0.00816   0.02186   0.03002   0.87342
   D15        2.93413   0.00004   0.00573   0.02226   0.02799   2.96212
   D16        2.98624   0.00032   0.01127   0.02009   0.03137   3.01761
   D17       -1.19735   0.00032   0.01103   0.02032   0.03136  -1.16599
   D18        0.89338   0.00016   0.00860   0.02072   0.02933   0.92271
   D19        2.58173  -0.00003  -0.00395  -0.02011  -0.02406   2.55767
   D20       -0.58115  -0.00009  -0.00379  -0.02085  -0.02464  -0.60578
   D21       -1.53221  -0.00015  -0.00591  -0.02009  -0.02600  -1.55821
   D22        1.58810  -0.00020  -0.00575  -0.02083  -0.02658   1.56152
   D23        0.51950  -0.00032  -0.00862  -0.01897  -0.02759   0.49191
   D24       -2.64338  -0.00038  -0.00846  -0.01970  -0.02816  -2.67154
   D25        3.12109   0.00004   0.00107  -0.00068   0.00039   3.12148
   D26       -0.00095   0.00009   0.00092   0.00001   0.00093  -0.00003
   D27       -3.12258  -0.00005  -0.00101   0.00056  -0.00045  -3.12302
   D28        0.00050  -0.00010  -0.00086  -0.00008  -0.00093  -0.00044
   D29        3.13533  -0.00001   0.00043  -0.00216  -0.00174   3.13359
   D30        0.00109  -0.00003  -0.00053   0.00010  -0.00043   0.00066
   D31        2.04524   0.00035   0.00992   0.03600   0.04592   2.09116
   D32       -2.08335  -0.00012   0.00925   0.03621   0.04546  -2.03789
   D33       -0.06599   0.00030   0.01036   0.03587   0.04622  -0.01976
   D34       -1.10476   0.00038   0.01102   0.03341   0.04443  -1.06033
   D35        1.04984  -0.00009   0.01036   0.03362   0.04397   1.09381
   D36        3.06719   0.00033   0.01146   0.03328   0.04474   3.11193
   D37       -0.00068  -0.00005  -0.00013  -0.00016  -0.00029  -0.00097
   D38       -3.12922   0.00007   0.00233  -0.00395  -0.00162  -3.13084
   D39       -3.13399  -0.00008  -0.00122   0.00239   0.00118  -3.13282
   D40        0.02066   0.00004   0.00124  -0.00140  -0.00015   0.02051
   D41       -1.30141   0.00013   0.01115   0.01785   0.02901  -1.27240
   D42        1.45341  -0.00073  -0.01006  -0.01850  -0.02856   1.42485
   D43        2.82630   0.00047   0.01222   0.01738   0.02961   2.85591
   D44       -0.70205  -0.00040  -0.00899  -0.01897  -0.02797  -0.73002
   D45        0.82585   0.00043   0.01030   0.01962   0.02992   0.85578
   D46       -2.70251  -0.00044  -0.01091  -0.01673  -0.02766  -2.73016
   D47       -0.78310  -0.00090  -0.01663  -0.03502  -0.05161  -0.83471
   D48       -2.86699  -0.00055  -0.01376  -0.03320  -0.04692  -2.91391
   D49        1.32864  -0.00081  -0.01742  -0.03421  -0.05160   1.27704
   D50        2.71772   0.00018   0.00403  -0.00135   0.00264   2.72036
   D51        0.63383   0.00054   0.00690   0.00047   0.00734   0.64117
   D52       -1.45374   0.00027   0.00324  -0.00054   0.00266  -1.45108
   D53       -3.03008   0.00057   0.00736   0.02232   0.02967  -3.00041
   D54        0.11130   0.00040   0.00782   0.02508   0.03289   0.14419
   D55       -0.27780  -0.00028  -0.01435  -0.01428  -0.02863  -0.30643
   D56        2.86357  -0.00046  -0.01389  -0.01152  -0.02541   2.83817
   D57        2.80997  -0.00049  -0.01565   0.00654  -0.00916   2.80081
   D58        0.32635   0.00092   0.02362   0.00946   0.03313   0.35948
   D59       -0.33184  -0.00066  -0.01519   0.00929  -0.00594  -0.33779
   D60       -2.81546   0.00075   0.02409   0.01221   0.03634  -2.77912
   D61       -1.69305   0.00038   0.00519   0.00258   0.00794  -1.68511
   D62        2.45788   0.00053   0.00726   0.00230   0.00972   2.46760
   D63        0.39381  -0.00001   0.00731   0.00354   0.01104   0.40485
   D64        0.82356  -0.00041  -0.03048  -0.00142  -0.03207   0.79148
   D65       -1.30869  -0.00026  -0.02841  -0.00170  -0.03030  -1.33899
   D66        2.91042  -0.00080  -0.02836  -0.00046  -0.02898   2.88144
   D67       -0.44295  -0.00145  -0.01591  -0.00005  -0.01598  -0.45893
   D68        2.62925   0.00008  -0.01149  -0.00539  -0.01689   2.61236
   D69        1.66067  -0.00176  -0.02031  -0.00016  -0.02048   1.64019
   D70       -1.55032  -0.00023  -0.01589  -0.00550  -0.02139  -1.57171
   D71       -2.51483  -0.00070  -0.01564  -0.00162  -0.01726  -2.53209
   D72        0.55736   0.00082  -0.01122  -0.00696  -0.01817   0.53920
   D73        1.25921  -0.00020   0.00047  -0.00092  -0.00044   1.25877
   D74       -2.83768  -0.00043   0.00485  -0.00166   0.00316  -2.83453
   D75       -0.80753  -0.00001   0.00519  -0.00187   0.00331  -0.80421
   D76       -0.83717  -0.00056   0.00125  -0.00120   0.00007  -0.83710
   D77        1.34912  -0.00080   0.00563  -0.00194   0.00367   1.35279
   D78       -2.90391  -0.00037   0.00597  -0.00215   0.00382  -2.90008
   D79       -2.95924  -0.00084  -0.00278  -0.00062  -0.00337  -2.96261
   D80       -0.77295  -0.00108   0.00161  -0.00136   0.00023  -0.77272
   D81        1.25721  -0.00066   0.00195  -0.00158   0.00039   1.25759
   D82       -3.08784  -0.00277  -0.01366  -0.01070  -0.02437  -3.11221
   D83        0.21500  -0.00177  -0.00237   0.00162  -0.00071   0.21428
   D84       -0.01546  -0.00120  -0.00933  -0.01600  -0.02536  -0.04082
   D85       -2.99581  -0.00020   0.00197  -0.00368  -0.00171  -2.99751
   D86        2.14335   0.00017   0.00205   0.01492   0.01697   2.16031
   D87       -1.99085   0.00018   0.00414   0.01560   0.01972  -1.97114
   D88        0.09049   0.00045   0.00701   0.01243   0.01944   0.10992
   D89       -1.15136  -0.00073  -0.00902   0.00334  -0.00566  -1.15702
   D90        0.99762  -0.00073  -0.00693   0.00401  -0.00291   0.99471
   D91        3.07897  -0.00046  -0.00407   0.00085  -0.00319   3.07577
   D92        1.06391   0.00000   0.00926   0.01105   0.02032   1.08423
   D93       -1.07698   0.00005   0.00912   0.01126   0.02038  -1.05660
   D94       -3.05230  -0.00014   0.00637   0.01206   0.01843  -3.03387
   D95       -1.07742   0.00049   0.00587   0.01378   0.01965  -1.05777
   D96        3.06488   0.00053   0.00573   0.01399   0.01971   3.08459
   D97        1.08956   0.00034   0.00298   0.01479   0.01776   1.10732
   D98        3.11553  -0.00025   0.00535   0.01225   0.01760   3.13314
   D99        0.97465  -0.00020   0.00521   0.01246   0.01767   0.99231
   D100      -1.00067  -0.00039   0.00246   0.01326   0.01571  -0.98496
   D101       1.18796  -0.00144   0.00245   0.00564   0.00808   1.19604
   D102      -0.95206  -0.00034   0.00554   0.00948   0.01502  -0.93704
   D103      -2.97529  -0.00048   0.00635   0.00942   0.01575  -2.95954
   D104      -2.96965  -0.00076   0.00547   0.00538   0.01084  -2.95881
   D105       1.17352   0.00035   0.00856   0.00922   0.01778   1.19130
   D106      -0.84971   0.00020   0.00937   0.00916   0.01851  -0.83120
   D107      -0.88575  -0.00087   0.00228   0.00849   0.01079  -0.87496
   D108      -3.02576   0.00024   0.00538   0.01234   0.01772  -3.00804
   D109       1.23419   0.00009   0.00618   0.01227   0.01846   1.25265
   D110      -1.55819   0.00001   0.00212   0.00455   0.00667  -1.55152
   D111       1.59202  -0.00006  -0.00045   0.00594   0.00549   1.59752
   D112       0.56877  -0.00017   0.00261   0.00473   0.00734   0.57611
   D113      -2.56420  -0.00024   0.00004   0.00613   0.00617  -2.55804
   D114       2.57055   0.00040   0.00547   0.00371   0.00918   2.57973
   D115      -0.56242   0.00033   0.00290   0.00511   0.00800  -0.55442
   D116      -3.14096  -0.00003  -0.00111   0.00052  -0.00059  -3.14155
   D117      -0.00738  -0.00004  -0.00062  -0.00035  -0.00097  -0.00835
   D118      -0.00791   0.00004   0.00143  -0.00086   0.00058  -0.00733
   D119       3.12567   0.00003   0.00192  -0.00173   0.00020   3.12587
   D120       3.14117   0.00003   0.00095  -0.00053   0.00042   3.14159
   D121       0.00882   0.00000   0.00011  -0.00038  -0.00027   0.00855
   D122       0.00815  -0.00005  -0.00160   0.00086  -0.00075   0.00741
   D123      -3.12420  -0.00008  -0.00245   0.00101  -0.00144  -3.12564
   D124       0.00151  -0.00001  -0.00035   0.00029  -0.00006   0.00145
   D125       3.13905   0.00000  -0.00001   0.00002   0.00001   3.13906
   D126      -3.13209   0.00000  -0.00084   0.00116   0.00032  -3.13177
   D127       0.00545   0.00001  -0.00050   0.00089   0.00039   0.00584
   D128       0.00467  -0.00002  -0.00058   0.00029  -0.00029   0.00438
   D129       3.14060   0.00002   0.00027  -0.00029  -0.00002   3.14058
   D130      -3.13286  -0.00003  -0.00091   0.00055  -0.00036  -3.13321
   D131       0.00307   0.00001  -0.00007  -0.00002  -0.00009   0.00298
   D132      -0.00442   0.00001   0.00041  -0.00029   0.00012  -0.00431
   D133       3.13341   0.00004   0.00097  -0.00059   0.00038   3.13380
   D134      -3.14035  -0.00002  -0.00044   0.00029  -0.00015  -3.14050
   D135      -0.00251   0.00000   0.00013  -0.00002   0.00011  -0.00240
   D136      -0.00201   0.00002   0.00069  -0.00028   0.00040  -0.00161
   D137       3.13037   0.00005   0.00154  -0.00044   0.00110   3.13147
   D138      -3.13986  -0.00001   0.00012   0.00002   0.00014  -3.13972
   D139      -0.00747   0.00002   0.00097  -0.00014   0.00083  -0.00664
   D140      -1.39539  -0.00024  -0.01567  -0.02105  -0.03673  -1.43212
   D141       2.89208   0.00008  -0.01607  -0.02076  -0.03684   2.85524
   D142       0.70039   0.00014  -0.01255  -0.02357  -0.03613   0.66425
   D143       0.75011  -0.00058  -0.01661  -0.02463  -0.04123   0.70889
   D144      -1.24560  -0.00026  -0.01701  -0.02433  -0.04133  -1.28694
   D145       2.84589  -0.00020  -0.01348  -0.02715  -0.04063   2.80526
   D146       2.77984  -0.00080  -0.02038  -0.02384  -0.04421   2.73562
   D147       0.78412  -0.00048  -0.02078  -0.02354  -0.04432   0.73980
   D148      -1.40757  -0.00042  -0.01725  -0.02636  -0.04362  -1.45118
   D149       2.26526  -0.00034  -0.00540  -0.00683  -0.01223   2.25302
   D150      -1.94695   0.00084  -0.00390  -0.00632  -0.01022  -1.95717
   D151       0.14944  -0.00057  -0.00849  -0.00591  -0.01440   0.13504
   D152      -1.10137   0.00011   0.00560   0.00670   0.01230  -1.08907
   D153       3.03697  -0.00080   0.00351   0.00766   0.01116   3.04813
   D154       1.01471   0.00013   0.00608   0.00749   0.01359   1.02829
   D155      -3.10627   0.00028   0.00345   0.00891   0.01235  -3.09392
   D156       1.03207  -0.00063   0.00136   0.00986   0.01121   1.04328
   D157      -0.99019   0.00030   0.00393   0.00970   0.01363  -0.97656
   D158       1.09520   0.00072   0.00481   0.00976   0.01457   1.10977
   D159      -1.04964  -0.00019   0.00272   0.01071   0.01343  -1.03622
   D160      -3.07191   0.00074   0.00529   0.01054   0.01585  -3.05606
   D161       3.02357   0.00080  -0.00246  -0.00595  -0.00841   3.01516
   D162      -1.10528   0.00081  -0.00470  -0.00494  -0.00963  -1.11491
   D163       0.89224   0.00072  -0.00430  -0.00581  -0.01010   0.88213
   D164      -1.12374  -0.00118  -0.00466  -0.00805  -0.01270  -1.13644
   D165       1.03059  -0.00118  -0.00689  -0.00703  -0.01393   1.01666
   D166       3.02811  -0.00127  -0.00650  -0.00790  -0.01440   3.01371
   D167       0.92381   0.00012  -0.00048  -0.00771  -0.00820   0.91562
   D168       3.07815   0.00013  -0.00272  -0.00670  -0.00942   3.06873
   D169      -1.20752   0.00004  -0.00233  -0.00756  -0.00989  -1.21741
   D170       1.13123   0.00025   0.00764   0.00225   0.00988   1.14111
   D171      -2.14564   0.00020  -0.00144   0.00191   0.00048  -2.14517
   D172      -1.01936   0.00031   0.00742   0.00378   0.01118  -1.00818
   D173       1.98695   0.00026  -0.00166   0.00344   0.00177   1.98872
   D174      -3.10636  -0.00040   0.00301   0.00347   0.00649  -3.09987
   D175      -0.10005  -0.00046  -0.00606   0.00313  -0.00292  -0.10297
   D176       1.72726   0.00003   0.00118   0.00534   0.00652   1.73378
   D177      -1.41182   0.00002   0.00146   0.00527   0.00672  -1.40510
   D178      -0.41485   0.00007   0.00296   0.00452   0.00749  -0.40736
   D179       2.72926   0.00006   0.00324   0.00445   0.00769   2.73696
   D180      -2.43070   0.00015   0.00315   0.00522   0.00837  -2.42233
   D181       0.71341   0.00014   0.00343   0.00515   0.00857   0.72198
   D182      -3.13966  -0.00001   0.00004   0.00005   0.00010  -3.13956
   D183       0.00339   0.00002   0.00036   0.00000   0.00037   0.00376
   D184      -0.00058   0.00000  -0.00023   0.00012  -0.00010  -0.00068
   D185      -3.14071   0.00003   0.00009   0.00007   0.00016  -3.14054
   D186       3.13982   0.00000  -0.00013  -0.00008  -0.00021   3.13961
   D187      -0.00402   0.00000  -0.00034  -0.00005  -0.00040  -0.00442
   D188       0.00073   0.00000   0.00014  -0.00015  -0.00001   0.00072
   D189       3.14008  -0.00001  -0.00008  -0.00012  -0.00020   3.13989
   D190       0.00048   0.00000   0.00015  -0.00001   0.00014   0.00062
   D191      -3.14078   0.00002   0.00031  -0.00005   0.00026  -3.14052
   D192       3.14062  -0.00002  -0.00016   0.00004  -0.00013   3.14049
   D193      -0.00065  -0.00001   0.00000   0.00000   0.00000  -0.00065
   D194      -0.00054   0.00000   0.00001  -0.00007  -0.00006  -0.00060
   D195      -3.14066   0.00000   0.00005  -0.00005   0.00000  -3.14066
   D196       3.14072  -0.00001  -0.00015  -0.00003  -0.00018   3.14053
   D197       0.00060  -0.00001  -0.00011  -0.00002  -0.00013   0.00048
   D198       0.00070   0.00000  -0.00009   0.00004  -0.00005   0.00065
   D199      -3.13983   0.00000  -0.00003  -0.00001  -0.00004  -3.13987
   D200       3.14082  -0.00001  -0.00013   0.00002  -0.00011   3.14070
   D201       0.00029   0.00000  -0.00007  -0.00002  -0.00010   0.00019
   D202      -0.00080   0.00000   0.00002   0.00007   0.00009  -0.00071
   D203      -3.14016   0.00001   0.00024   0.00004   0.00028  -3.13988
   D204       3.13973   0.00000  -0.00005   0.00012   0.00007   3.13981
   D205       0.00037   0.00000   0.00017   0.00009   0.00026   0.00063
   D206      -0.11148   0.00212   0.01528  -0.00305   0.01223  -0.09925
   D207       3.11950  -0.00210  -0.01255  -0.00752  -0.02008   3.09942
   D208      -3.11487   0.00218   0.02447  -0.00264   0.02184  -3.09303
   D209       0.11612  -0.00204  -0.00337  -0.00711  -0.01047   0.10564
   D210       2.81467   0.00243   0.00703   0.01357   0.02057   2.83524
   D211      -0.24453  -0.00144  -0.01865   0.00944  -0.00918  -0.25371
   D212      -1.52006   0.00093   0.00010  -0.00169  -0.00160  -1.52167
   D213       2.69085   0.00038  -0.00316  -0.00208  -0.00524   2.68561
   D214       0.65392  -0.00020  -0.00450  -0.00175  -0.00623   0.64768
   D215      -0.20990  -0.00021  -0.00638  -0.01029  -0.01668  -0.22657
   D216       2.92497  -0.00026  -0.00976  -0.00850  -0.01826   2.90671
   D217       1.73511   0.00009  -0.00036  -0.01167  -0.01202   1.72309
   D218      -1.41321   0.00004  -0.00374  -0.00987  -0.01360  -1.42681
   D219      -2.33816   0.00005  -0.00583  -0.00923  -0.01507  -2.35323
   D220       0.79670   0.00001  -0.00921  -0.00744  -0.01665   0.78005
   D221       3.13617  -0.00016  -0.00400   0.00110  -0.00291   3.13326
   D222      -0.01401   0.00002  -0.00408   0.00168  -0.00240  -0.01642
   D223       0.00073  -0.00012  -0.00093  -0.00054  -0.00147  -0.00074
   D224       3.13374   0.00006  -0.00100   0.00004  -0.00096   3.13277
   D225      -3.13954   0.00010   0.00336  -0.00115   0.00220  -3.13734
   D226      -0.00343   0.00006   0.00060   0.00031   0.00091  -0.00252
   D227       0.00368   0.00012   0.00083   0.00055   0.00138   0.00506
   D228      -3.13013  -0.00004   0.00092   0.00003   0.00094  -3.12919
   D229      -0.00627  -0.00007  -0.00032  -0.00029  -0.00061  -0.00688
   D230       3.13795  -0.00007  -0.00066  -0.00028  -0.00093   3.13701
   D231       0.00572   0.00000  -0.00016  -0.00001  -0.00017   0.00555
   D232      -3.13834   0.00000   0.00015  -0.00002   0.00013  -3.13821
   D233       0.16560  -0.00003   0.00221   0.00389   0.00611   0.17171
   D234       2.28289   0.00051   0.00832   0.00506   0.01337   2.29625
   D235      -1.92521   0.00007   0.00417   0.00507   0.00923  -1.91599
   D236      -1.99667  -0.00054  -0.00490   0.00611   0.00120  -1.99546
   D237       0.12062   0.00000   0.00121   0.00727   0.00846   0.12908
   D238       2.19571  -0.00043  -0.00294   0.00728   0.00432   2.20003
   D239       2.21151  -0.00008  -0.00004   0.00411   0.00409   2.21560
   D240      -1.95439   0.00046   0.00607   0.00527   0.01135  -1.94304
   D241       0.12070   0.00003   0.00191   0.00528   0.00721   0.12791
   D242       2.91021   0.00000   0.00549   0.01786   0.02335   2.93355
   D243      -1.29060  -0.00036   0.00369   0.01846   0.02215  -1.26844
   D244       0.82667   0.00008   0.00733   0.01827   0.02559   0.85225
   D245      -1.17833   0.00088   0.01276   0.01649   0.02926  -1.14907
   D246       0.90405   0.00052   0.01096   0.01710   0.02806   0.93212
   D247       3.02132   0.00096   0.01459   0.01691   0.03150   3.05281
   D248       0.89954  -0.00004   0.00525   0.01869   0.02394   0.92348
   D249       2.98192  -0.00041   0.00345   0.01930   0.02275   3.00467
   D250      -1.18400   0.00003   0.00708   0.01911   0.02618  -1.15782
   D251       0.00012   0.00008   0.00053   0.00013   0.00066   0.00078
   D252       3.12974  -0.00004  -0.00173   0.00359   0.00186   3.13160
         Item               Value     Threshold  Converged?
 Maximum Force            0.004876     0.000450     NO 
 RMS     Force            0.000737     0.000300     NO 
 Maximum Displacement     0.185612     0.001800     NO 
 RMS     Displacement     0.041069     0.001200     NO 
 Predicted change in Energy=-1.037229D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.675111   -2.656403    0.137643
      2          6           0       -9.379991   -1.397324   -0.680060
      3          6           0      -10.377902   -0.275217   -0.367431
      4          6           0       -7.986421   -0.900576   -0.456119
      5          7           0       -7.221130   -0.309156   -1.341585
      6          6           0       -5.960645    0.064018   -0.804040
      7          6           0       -4.994017    0.742754   -1.735817
      8          7           0       -4.609155    2.100485   -1.288705
      9          6           0       -5.655111    3.146103   -1.435930
     10          6           0       -3.612998    2.340497   -0.316541
     11          8           0       -3.424595    3.465468    0.133526
     12          7           0       -2.825581    1.231459    0.126432
     13          6           0       -1.530828    1.560853    0.780100
     14          6           0       -0.409365    1.462679   -0.272322
     15          8           0       -0.506768    0.738193   -1.256854
     16          7           0        0.676329    2.301871   -0.090122
     17          6           0        1.804164    2.328034   -1.055989
     18          6           0        1.998850    3.775575   -1.577457
     19          6           0        2.360549    4.770860   -0.509571
     20          6           0        1.350261    5.445874    0.194420
     21          6           0        1.684587    6.370846    1.186753
     22          6           0        3.026104    6.631501    1.483890
     23          6           0        4.034522    5.966022    0.779684
     24          6           0        3.706416    5.039731   -0.214128
     25          6           0        3.089822    1.781793   -0.405477
     26          6           0        3.004438    0.279497   -0.116211
     27          8           0        2.290795    0.151116    1.128777
     28          6           0        4.413275   -0.343382    0.149637
     29          6           0        5.323531   -0.215508   -1.088884
     30          6           0        6.730741   -0.650560   -0.791417
     31          6           0        7.163859   -1.934051   -1.157887
     32          6           0        8.472204   -2.336692   -0.877818
     33          6           0        9.354774   -1.464900   -0.231572
     34          6           0        8.924476   -0.185692    0.134162
     35          6           0        7.616951    0.223224   -0.143064
     36          7           0        4.258506   -1.769097    0.550924
     37          6           0        3.760393   -2.718207   -0.318387
     38          8           0        3.302665   -2.570874   -1.432987
     39          8           0        3.790371   -3.959626    0.330644
     40          6           0        2.955259   -5.000524   -0.254628
     41          6           0        1.588820   -4.915104    0.305297
     42          6           0        1.126048   -4.215017    1.384778
     43          7           0       -0.257113   -4.347769    1.642883
     44          6           0       -0.848402   -5.138667    0.784309
     45         16           0        0.270947   -5.784075   -0.437164
     46          6           0       -1.300251    0.581408    1.964387
     47          6           0       -0.955698   -0.838042    1.507351
     48          6           0       -0.234481    1.154126    2.901380
     49          6           0       -5.770580   -0.251910    0.510179
     50         16           0       -7.187268   -1.040086    1.133735
     51          1           0      -10.702359   -3.001282   -0.037470
     52          1           0       -9.003246   -3.480420   -0.131588
     53          1           0       -9.583256   -2.491974    1.218163
     54          1           0       -9.472633   -1.661697   -1.772618
     55          1           0      -10.427314   -0.056453    0.705910
     56          1           0      -10.106345    0.656961   -0.879798
     57          1           0      -11.388350   -0.546659   -0.693374
     58          1           0       -4.081253    0.111519   -1.866154
     59          1           0       -5.446294    0.827717   -2.758164
     60          1           0       -6.094428    3.094585   -2.444158
     61          1           0       -5.199702    4.146810   -1.300066
     62          1           0       -6.461436    3.034219   -0.691542
     63          1           0       -2.774454    0.396644   -0.476206
     64          1           0       -1.590548    2.613339    1.187474
     65          1           0        0.817030    2.808212    0.781594
     66          1           0        1.528809    1.672051   -1.932721
     67          1           0        1.061838    4.094178   -2.087330
     68          1           0        2.765186    3.771578   -2.378914
     69          1           0        0.301985    5.255150   -0.037538
     70          1           0        0.895635    6.892814    1.727502
     71          1           0        3.284146    7.352753    2.256237
     72          1           0        5.080025    6.172157    1.003666
     73          1           0        4.497407    4.534313   -0.762758
     74          1           0        3.302645    2.326805    0.538153
     75          1           0        3.945815    1.988843   -1.080533
     76          1           0        2.467484   -0.270426   -0.922811
     77          1           0        1.553124   -0.490452    1.036252
     78          1           0        4.875777    0.185042    1.026794
     79          1           0        4.894727   -0.805616   -1.932918
     80          1           0        5.316840    0.836976   -1.447262
     81          1           0        6.480738   -2.616336   -1.662269
     82          1           0        8.805056   -3.333303   -1.164689
     83          1           0       10.373157   -1.780853   -0.015582
     84          1           0        9.609920    0.495603    0.635915
     85          1           0        7.291426    1.220410    0.143556
     86          1           0        4.650646   -2.055111    1.445743
     87          1           0        3.492257   -5.916958    0.073483
     88          1           0        2.980004   -4.903805   -1.362151
     89          1           0        1.710707   -3.586475    2.051209
     90          1           0       -1.899352   -5.401216    0.773780
     91          1           0       -2.271138    0.538859    2.528399
     92          1           0       -0.755734   -0.910624    0.429959
     93          1           0       -0.079998   -1.242661    2.028625
     94          1           0       -1.778408   -1.534043    1.713991
     95          1           0       -0.205364    0.593303    3.843950
     96          1           0        0.776128    1.100513    2.469394
     97          1           0       -0.430535    2.199513    3.159819
     98          1           0       -4.907447   -0.062402    1.130939
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0650273      0.0272537      0.0204279
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3518.4669135563 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.242485669707     A.U. after   17 cycles
             Convg  =    0.9153D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000139405   -0.000019678    0.000239343
      2        6           0.000214923    0.000568347   -0.000070961
      3        6           0.000008486   -0.000312374    0.000449811
      4        6           0.000054704   -0.000287562    0.001033716
      5        7          -0.000995716   -0.000160000   -0.000532656
      6        6           0.000172918    0.000445984    0.000103428
      7        6           0.001121779   -0.001062211    0.000993635
      8        7          -0.002168166    0.001035726   -0.002202890
      9        6           0.000470322   -0.000414633    0.001513954
     10        6          -0.001521678   -0.000142628    0.002091844
     11        8          -0.000158613    0.000371628    0.000480256
     12        7           0.001336171   -0.001083653   -0.001210752
     13        6           0.001437148    0.001904340   -0.000490322
     14        6           0.002206417    0.000910097   -0.003244253
     15        8          -0.000984552    0.000217578    0.000930354
     16        7          -0.000647028   -0.000952033   -0.000823892
     17        6          -0.000058827   -0.000631604   -0.001174876
     18        6           0.000099631    0.000495369    0.000984146
     19        6          -0.000040172    0.000463910    0.000289712
     20        6          -0.000214571   -0.000034026    0.000181283
     21        6           0.000047072    0.000215411   -0.000022429
     22        6          -0.000236924    0.000043544   -0.000049568
     23        6           0.000074571    0.000043914   -0.000025132
     24        6           0.000243826    0.000112029   -0.000026474
     25        6          -0.000986702   -0.000023251   -0.000833855
     26        6          -0.000629361   -0.000094282    0.000967070
     27        8          -0.000543942   -0.000798402    0.000214096
     28        6          -0.000804660    0.000938586    0.000152744
     29        6           0.000186988   -0.000316712   -0.000316600
     30        6           0.000116604    0.000157593   -0.000023561
     31        6          -0.000053968   -0.000179752   -0.000058887
     32        6          -0.000034479   -0.000037527    0.000008572
     33        6           0.000014841    0.000198160    0.000034688
     34        6           0.000284638    0.000019994   -0.000120310
     35        6          -0.000361433   -0.000164741    0.000196396
     36        7           0.000033292    0.000088702   -0.001033712
     37        6           0.004853564   -0.000756636    0.001807208
     38        8          -0.001570957    0.000567517   -0.001213287
     39        8          -0.000693980   -0.000257043   -0.000182191
     40        6          -0.001326306   -0.000657584   -0.000092195
     41        6           0.000144918    0.000399442   -0.000697344
     42        6           0.001036158    0.000361567    0.000604262
     43        7          -0.000423048   -0.000956295   -0.000183516
     44        6          -0.000566640    0.000794143   -0.000238368
     45       16           0.000217322   -0.000501180    0.000042371
     46        6           0.001011221   -0.000211420    0.000792966
     47        6          -0.000292712    0.000826289    0.000654562
     48        6          -0.000632427   -0.000262493    0.000134320
     49        6           0.000392635   -0.000071844    0.000490821
     50       16          -0.000017526   -0.000225921   -0.000478251
     51        1          -0.000339190    0.000239598   -0.000144945
     52        1          -0.000067098   -0.000170872    0.000032213
     53        1           0.000207051   -0.000035026   -0.000066253
     54        1           0.000324427   -0.000211535   -0.000456916
     55        1          -0.000167898   -0.000080391   -0.000118850
     56        1          -0.000021962    0.000230890   -0.000124240
     57        1          -0.000028546   -0.000016308    0.000094692
     58        1           0.000060837   -0.000126970   -0.000042684
     59        1           0.000067044   -0.000202426   -0.000281630
     60        1          -0.000351772   -0.000043674   -0.000197543
     61        1          -0.000201830    0.000140562    0.000180501
     62        1          -0.000089702    0.000287109   -0.000113126
     63        1          -0.000365246   -0.001553919   -0.000588845
     64        1           0.000909716    0.000753473   -0.000501922
     65        1           0.000136508   -0.000285748   -0.000169356
     66        1           0.000577240    0.000107995   -0.000514615
     67        1           0.000022978    0.000028333    0.000192935
     68        1          -0.000052411    0.000113133    0.000331453
     69        1          -0.000069427   -0.000003868   -0.000031464
     70        1          -0.000048552    0.000026881    0.000016715
     71        1           0.000013853    0.000029928    0.000017108
     72        1           0.000057646    0.000009758    0.000013607
     73        1           0.000046812   -0.000033911    0.000052972
     74        1          -0.000018961   -0.000195938    0.000357402
     75        1          -0.000330442   -0.000905941    0.000063685
     76        1          -0.000126781    0.000314705    0.000658789
     77        1           0.000203011    0.000271349    0.000254281
     78        1           0.000092279    0.000207786    0.000199304
     79        1           0.000022715   -0.000144323    0.000148668
     80        1           0.000088692    0.000190425   -0.000172400
     81        1          -0.000089134   -0.000020521    0.000006244
     82        1           0.000009355   -0.000021983   -0.000016472
     83        1           0.000022827   -0.000002347   -0.000010189
     84        1          -0.000013283    0.000001341    0.000006265
     85        1           0.000059174    0.000053980   -0.000018343
     86        1           0.000122454   -0.000012802    0.000098369
     87        1          -0.000046603    0.000111403   -0.000069684
     88        1           0.000242628    0.000331826    0.000171665
     89        1          -0.000083229    0.000079439   -0.000138774
     90        1          -0.000033391   -0.000289648    0.000045460
     91        1          -0.000125252   -0.000406679    0.000051334
     92        1           0.000004906    0.000455633    0.000220544
     93        1          -0.000089318    0.000166426    0.000467768
     94        1          -0.000151166    0.000171650    0.000156121
     95        1          -0.000328640    0.000085028   -0.000001117
     96        1          -0.000310608   -0.000001048   -0.000039732
     97        1           0.000328469   -0.000395073    0.000291276
     98        1          -0.000025342    0.000187916   -0.000355549
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004853564 RMS     0.000645146

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003751511 RMS     0.000516418
 Search for a local minimum.
 Step number  15 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   12   11   13   14   15
 DE= -1.09D-03 DEPred=-1.04D-03 R= 1.05D+00
 SS=  1.41D+00  RLast= 3.00D-01 DXNew= 5.0454D-01 8.9999D-01
 Trust test= 1.05D+00 RLast= 3.00D-01 DXMaxT set to 5.05D-01
     Eigenvalues ---    0.00171   0.00322   0.00364   0.00425   0.00520
     Eigenvalues ---    0.00589   0.00628   0.00652   0.00685   0.00797
     Eigenvalues ---    0.00872   0.00887   0.00917   0.00936   0.00992
     Eigenvalues ---    0.01030   0.01088   0.01158   0.01214   0.01250
     Eigenvalues ---    0.01270   0.01329   0.01361   0.01396   0.01425
     Eigenvalues ---    0.01437   0.01505   0.01543   0.01556   0.01595
     Eigenvalues ---    0.01603   0.01704   0.01748   0.01892   0.01912
     Eigenvalues ---    0.01931   0.01975   0.01988   0.02078   0.02179
     Eigenvalues ---    0.02194   0.02203   0.02215   0.02220   0.02258
     Eigenvalues ---    0.02269   0.02289   0.02328   0.02374   0.02406
     Eigenvalues ---    0.02408   0.02414   0.02448   0.02483   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02606   0.02700   0.02733
     Eigenvalues ---    0.02980   0.03281   0.03892   0.04013   0.04109
     Eigenvalues ---    0.04138   0.04240   0.04336   0.04495   0.04760
     Eigenvalues ---    0.04798   0.04902   0.04914   0.04991   0.05032
     Eigenvalues ---    0.05072   0.05154   0.05315   0.05417   0.05475
     Eigenvalues ---    0.05502   0.05527   0.05559   0.05626   0.05661
     Eigenvalues ---    0.05765   0.05802   0.05821   0.05843   0.05908
     Eigenvalues ---    0.05997   0.06155   0.06271   0.06474   0.06773
     Eigenvalues ---    0.06870   0.07044   0.07184   0.07457   0.07644
     Eigenvalues ---    0.07931   0.08605   0.09449   0.09825   0.10222
     Eigenvalues ---    0.11988   0.12485   0.12888   0.13112   0.13376
     Eigenvalues ---    0.13657   0.13952   0.14343   0.15801   0.15891
     Eigenvalues ---    0.15946   0.15958   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16003   0.16012   0.16034   0.16054
     Eigenvalues ---    0.16061   0.16094   0.16163   0.16193   0.16916
     Eigenvalues ---    0.16973   0.17056   0.17494   0.17781   0.18032
     Eigenvalues ---    0.18111   0.18290   0.19084   0.20236   0.21002
     Eigenvalues ---    0.21279   0.21785   0.21857   0.21948   0.21998
     Eigenvalues ---    0.22000   0.22000   0.22009   0.22103   0.22133
     Eigenvalues ---    0.22569   0.22812   0.23135   0.23435   0.23485
     Eigenvalues ---    0.23566   0.23708   0.23776   0.24233   0.24516
     Eigenvalues ---    0.24873   0.24952   0.24978   0.24994   0.24998
     Eigenvalues ---    0.25001   0.25015   0.25062   0.25102   0.25466
     Eigenvalues ---    0.28848   0.29402   0.29527   0.29755   0.29893
     Eigenvalues ---    0.30000   0.30124   0.30233   0.30369   0.30678
     Eigenvalues ---    0.30816   0.31009   0.31313   0.31422   0.31433
     Eigenvalues ---    0.31486   0.31527   0.31562   0.31661   0.31985
     Eigenvalues ---    0.32072   0.32284   0.32389   0.32426   0.32587
     Eigenvalues ---    0.32660   0.32776   0.32786   0.32812   0.32947
     Eigenvalues ---    0.32958   0.33017   0.33061   0.33098   0.33156
     Eigenvalues ---    0.33191   0.33271   0.33416   0.33561   0.33580
     Eigenvalues ---    0.33672   0.33688   0.33798   0.33840   0.33986
     Eigenvalues ---    0.33990   0.34163   0.34230   0.34266   0.34333
     Eigenvalues ---    0.34362   0.34381   0.34497   0.34503   0.34656
     Eigenvalues ---    0.34720   0.35029   0.35888   0.36249   0.36284
     Eigenvalues ---    0.36317   0.36376   0.36632   0.36809   0.36934
     Eigenvalues ---    0.37001   0.38307   0.38578   0.39381   0.40191
     Eigenvalues ---    0.41288   0.41930   0.42465   0.42542   0.42951
     Eigenvalues ---    0.43308   0.43694   0.44217   0.44609   0.45126
     Eigenvalues ---    0.45733   0.47027   0.47567   0.48368   0.48518
     Eigenvalues ---    0.48616   0.48808   0.49043   0.49883   0.50319
     Eigenvalues ---    0.50359   0.50975   0.51241   0.51396   0.56369
     Eigenvalues ---    0.58130   0.59171   0.62251   0.65170   0.72923
     Eigenvalues ---    0.75899   0.77989   0.838901000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    15   14   13
 RFO step:  Lambda=-3.85080568D-04.
 DIIS coeffs:      3.00612     -2.02308      0.01696
 Maximum step size (   0.505) exceeded in Quadratic search.
    -- Step size scaled by   0.581
 Iteration  1 RMS(Cart)=  0.07736357 RMS(Int)=  0.00126214
 Iteration  2 RMS(Cart)=  0.00446685 RMS(Int)=  0.00016971
 Iteration  3 RMS(Cart)=  0.00000780 RMS(Int)=  0.00016969
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00016969
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89135   0.00006  -0.00013  -0.00001  -0.00014   2.89122
    R2        2.07427  -0.00012  -0.00039  -0.00008  -0.00047   2.07380
    R3        2.07258  -0.00002   0.00008   0.00007   0.00015   2.07274
    R4        2.07268   0.00002  -0.00025  -0.00001  -0.00026   2.07242
    R5        2.89855  -0.00020   0.00047  -0.00047   0.00000   2.89855
    R6        2.82762   0.00031   0.00102  -0.00015   0.00088   2.82849
    R7        2.13142   0.00002  -0.00047  -0.00004  -0.00051   2.13091
    R8        2.07213  -0.00006  -0.00060  -0.00003  -0.00063   2.07149
    R9        2.07459   0.00003   0.00040  -0.00015   0.00026   2.07485
   R10        2.07089  -0.00004  -0.00039   0.00012  -0.00027   2.07061
   R11        2.47799   0.00080   0.00084   0.00037   0.00121   2.47920
   R12        3.37291  -0.00019   0.00138  -0.00105   0.00033   3.37324
   R13        2.68383  -0.00054  -0.00132  -0.00018  -0.00150   2.68233
   R14        2.84293  -0.00001   0.00074  -0.00019   0.00056   2.84349
   R15        2.57939  -0.00005   0.00013   0.00023   0.00036   2.57976
   R16        2.79747  -0.00097   0.00112   0.00144   0.00256   2.80003
   R17        2.11158  -0.00009  -0.00036   0.00010  -0.00025   2.11133
   R18        2.11866   0.00008  -0.00007   0.00028   0.00020   2.11886
   R19        2.80866  -0.00089  -0.00014   0.00122   0.00107   2.80973
   R20        2.66916  -0.00080   0.00113   0.00403   0.00516   2.67432
   R21        2.08057   0.00004   0.00063   0.00019   0.00082   2.08139
   R22        2.09348  -0.00019  -0.00022   0.00003  -0.00019   2.09329
   R23        2.08452  -0.00017  -0.00055  -0.00038  -0.00093   2.08359
   R24        2.31722  -0.00053  -0.00058  -0.00033  -0.00091   2.31630
   R25        2.70318  -0.00375   0.00244  -0.00218   0.00025   2.70343
   R26        2.81066  -0.00339   0.00037  -0.00229  -0.00192   2.80874
   R27        1.94807  -0.00135   0.00427  -0.00084   0.00343   1.95150
   R28        2.91221   0.00090   0.00044   0.00019   0.00063   2.91284
   R29        2.93669   0.00273   0.00617  -0.00027   0.00590   2.94259
   R30        2.13568  -0.00014  -0.00091  -0.00006  -0.00096   2.13472
   R31        2.31726   0.00027   0.00132  -0.00059   0.00073   2.31799
   R32        2.61587   0.00178   0.00085   0.00170   0.00255   2.61842
   R33        2.80648  -0.00001   0.00048   0.00127   0.00175   2.80823
   R34        1.92350   0.00024   0.00205  -0.00021   0.00184   1.92534
   R35        2.93072  -0.00242  -0.00313  -0.00266  -0.00578   2.92494
   R36        2.91193   0.00148   0.00152   0.00123   0.00276   2.91469
   R37        2.13363   0.00015   0.00177   0.00006   0.00183   2.13546
   R38        2.84201  -0.00084   0.00008  -0.00078  -0.00070   2.84131
   R39        2.10386  -0.00007  -0.00051   0.00020  -0.00031   2.10355
   R40        2.09548  -0.00011   0.00050  -0.00034   0.00016   2.09565
   R41        2.65366  -0.00036  -0.00026  -0.00020  -0.00046   2.65320
   R42        2.65299  -0.00031   0.00009  -0.00036  -0.00026   2.65273
   R43        2.64026  -0.00024   0.00014  -0.00027  -0.00013   2.64014
   R44        2.06063  -0.00006   0.00002  -0.00016  -0.00013   2.06050
   R45        2.64285   0.00002   0.00025  -0.00007   0.00017   2.64302
   R46        2.05911  -0.00005  -0.00021  -0.00007  -0.00028   2.05884
   R47        2.64270  -0.00021   0.00013  -0.00026  -0.00013   2.64257
   R48        2.05564  -0.00003  -0.00008  -0.00002  -0.00011   2.05553
   R49        2.64111  -0.00014  -0.00024  -0.00005  -0.00029   2.64082
   R50        2.05775  -0.00005  -0.00017   0.00003  -0.00015   2.05760
   R51        2.05460  -0.00006   0.00007  -0.00004   0.00003   2.05463
   R52        2.89557   0.00070   0.00117   0.00102   0.00219   2.89776
   R53        2.09817   0.00029   0.00121   0.00070   0.00191   2.10008
   R54        2.09691   0.00024  -0.00040   0.00005  -0.00035   2.09656
   R55        2.72262   0.00028   0.00016   0.00038   0.00055   2.72317
   R56        2.95395  -0.00176  -0.00161  -0.00036  -0.00197   2.95198
   R57        2.10545   0.00015   0.00103   0.00027   0.00130   2.10674
   R58        1.85572   0.00041   0.00128   0.00089   0.00217   1.85788
   R59        2.91462  -0.00003  -0.00028  -0.00062  -0.00090   2.91372
   R60        2.81414  -0.00144  -0.00192   0.00049  -0.00143   2.81271
   R61        2.12335  -0.00016   0.00018  -0.00030  -0.00012   2.12323
   R62        2.83962   0.00004   0.00005  -0.00034  -0.00029   2.83934
   R63        2.10812  -0.00017   0.00085  -0.00015   0.00070   2.10882
   R64        2.10108   0.00008  -0.00005   0.00022   0.00017   2.10125
   R65        2.65185  -0.00004   0.00021  -0.00028  -0.00007   2.65177
   R66        2.65184   0.00006   0.00052  -0.00002   0.00050   2.65234
   R67        2.64043  -0.00006  -0.00035   0.00012  -0.00023   2.64020
   R68        2.05847  -0.00005   0.00074  -0.00027   0.00047   2.05894
   R69        2.64331  -0.00017   0.00043  -0.00038   0.00005   2.64336
   R70        2.05826  -0.00003  -0.00025   0.00001  -0.00025   2.05801
   R71        2.64244   0.00005   0.00007   0.00009   0.00016   2.64260
   R72        2.05588  -0.00002  -0.00016  -0.00002  -0.00018   2.05570
   R73        2.64135  -0.00026  -0.00029  -0.00028  -0.00057   2.64079
   R74        2.05776   0.00000   0.00013  -0.00005   0.00007   2.05784
   R75        2.05494   0.00000   0.00030  -0.00009   0.00020   2.05514
   R76        2.60798  -0.00073  -0.00106   0.00080  -0.00025   2.60772
   R77        1.92370   0.00006   0.00116  -0.00032   0.00084   1.92454
   R78        2.29394   0.00100   0.00181  -0.00007   0.00173   2.29567
   R79        2.64782  -0.00067  -0.00253   0.00019  -0.00234   2.64548
   R80        2.75370  -0.00064  -0.00211   0.00059  -0.00152   2.75218
   R81        2.79524   0.00014   0.00071   0.00045   0.00116   2.79640
   R82        2.10081   0.00000  -0.00251   0.00059  -0.00192   2.09889
   R83        2.10140  -0.00001   0.00165  -0.00017   0.00147   2.10288
   R84        2.58386   0.00024   0.00054   0.00035   0.00089   2.58474
   R85        3.29656  -0.00039  -0.00074  -0.00081  -0.00154   3.29501
   R86        2.67072  -0.00091  -0.00191  -0.00060  -0.00251   2.66821
   R87        2.05366  -0.00007   0.00082  -0.00055   0.00027   2.05393
   R88        2.47279   0.00038   0.00076   0.00037   0.00113   2.47392
   R89        3.36004  -0.00029   0.00046  -0.00136  -0.00090   3.35914
   R90        2.04714  -0.00017  -0.00118   0.00018  -0.00100   2.04614
   R91        2.89223   0.00210   0.00260  -0.00025   0.00235   2.89458
   R92        2.89185   0.00098   0.00130  -0.00018   0.00112   2.89297
   R93        2.12335  -0.00009   0.00015  -0.00020  -0.00005   2.12330
   R94        2.07528   0.00012  -0.00007   0.00017   0.00010   2.07539
   R95        2.07207   0.00029   0.00045  -0.00006   0.00039   2.07246
   R96        2.07351   0.00010   0.00076   0.00030   0.00106   2.07457
   R97        2.07337  -0.00003   0.00041  -0.00003   0.00038   2.07375
   R98        2.07940   0.00031   0.00024   0.00009   0.00033   2.07973
   R99        2.06842   0.00032   0.00069   0.00015   0.00083   2.06925
   R100       3.28239  -0.00037  -0.00071  -0.00076  -0.00147   3.28092
   R101       2.04078  -0.00024  -0.00034   0.00034   0.00000   2.04078
    A1        1.93243  -0.00007  -0.00053   0.00032  -0.00021   1.93222
    A2        1.94864  -0.00003  -0.00057   0.00010  -0.00047   1.94816
    A3        1.96815  -0.00005  -0.00073  -0.00072  -0.00146   1.96669
    A4        1.87347  -0.00002  -0.00105  -0.00040  -0.00145   1.87202
    A5        1.85735   0.00012   0.00201   0.00099   0.00300   1.86035
    A6        1.87881   0.00005   0.00099  -0.00025   0.00075   1.87955
    A7        1.94721   0.00002   0.00003   0.00024   0.00026   1.94747
    A8        1.95287  -0.00010  -0.00154  -0.00144  -0.00298   1.94989
    A9        1.88490   0.00013   0.00439   0.00010   0.00449   1.88939
   A10        1.90980   0.00000  -0.00180   0.00017  -0.00164   1.90816
   A11        1.89175  -0.00008  -0.00073  -0.00009  -0.00082   1.89093
   A12        1.87474   0.00004  -0.00024   0.00109   0.00086   1.87560
   A13        1.95496  -0.00001   0.00030   0.00023   0.00052   1.95548
   A14        1.94456  -0.00013  -0.00140  -0.00047  -0.00187   1.94269
   A15        1.93698  -0.00003  -0.00024  -0.00012  -0.00037   1.93661
   A16        1.87401   0.00008   0.00059   0.00034   0.00092   1.87493
   A17        1.87445   0.00007   0.00194  -0.00013   0.00181   1.87626
   A18        1.87506   0.00002  -0.00110   0.00019  -0.00091   1.87414
   A19        2.20460  -0.00005   0.00100  -0.00033   0.00067   2.20527
   A20        2.12276   0.00006  -0.00083  -0.00007  -0.00091   2.12185
   A21        1.95566  -0.00001  -0.00018   0.00039   0.00021   1.95587
   A22        1.96157  -0.00023  -0.00040  -0.00036  -0.00076   1.96081
   A23        2.04247   0.00028  -0.00007  -0.00005  -0.00013   2.04235
   A24        2.01218   0.00011   0.00076  -0.00029   0.00047   2.01265
   A25        2.22849  -0.00039  -0.00069   0.00033  -0.00037   2.22812
   A26        1.97552   0.00011   0.00393   0.00418   0.00811   1.98363
   A27        1.92009  -0.00007  -0.00185  -0.00108  -0.00293   1.91716
   A28        1.91747   0.00026   0.00015   0.00035   0.00052   1.91799
   A29        1.91876  -0.00020  -0.00153  -0.00018  -0.00171   1.91704
   A30        1.88682  -0.00019  -0.00246  -0.00273  -0.00520   1.88162
   A31        1.84001   0.00009   0.00158  -0.00092   0.00065   1.84066
   A32        2.01791   0.00013  -0.00809  -0.00409  -0.01424   2.00366
   A33        2.14967  -0.00047  -0.01012  -0.00268  -0.01481   2.13486
   A34        2.03192   0.00006  -0.00636  -0.00382  -0.01232   2.01960
   A35        1.91622  -0.00029  -0.00264  -0.00224  -0.00489   1.91134
   A36        1.91139  -0.00034  -0.00189   0.00042  -0.00149   1.90990
   A37        1.95650   0.00018   0.00329   0.00211   0.00540   1.96190
   A38        1.89506   0.00009  -0.00231  -0.00134  -0.00367   1.89138
   A39        1.89816   0.00014  -0.00031   0.00067   0.00037   1.89853
   A40        1.88531   0.00023   0.00381   0.00031   0.00411   1.88942
   A41        2.11400   0.00072  -0.00052   0.00168   0.00114   2.11514
   A42        2.05966  -0.00077   0.00067  -0.00055   0.00011   2.05976
   A43        2.10953   0.00005  -0.00015  -0.00114  -0.00129   2.10824
   A44        2.03039  -0.00076  -0.00805  -0.00028  -0.00901   2.02138
   A45        2.06476   0.00063  -0.01134   0.00114  -0.01101   2.05374
   A46        1.97479  -0.00036  -0.01217   0.00018  -0.01276   1.96202
   A47        1.89573   0.00040   0.00263  -0.00103   0.00160   1.89733
   A48        1.90128   0.00000  -0.00563   0.00092  -0.00471   1.89658
   A49        1.89512  -0.00062  -0.00124  -0.00178  -0.00303   1.89209
   A50        1.95229  -0.00042  -0.00028   0.00008  -0.00020   1.95209
   A51        1.92191  -0.00007   0.00241   0.00068   0.00308   1.92499
   A52        1.89662   0.00071   0.00197   0.00107   0.00303   1.89965
   A53        2.12720   0.00036  -0.00301   0.00076  -0.00233   2.12486
   A54        2.02890   0.00030   0.00361   0.00138   0.00490   2.03380
   A55        2.12487  -0.00056  -0.00066  -0.00053  -0.00128   2.12359
   A56        2.11847  -0.00090  -0.00108  -0.00133  -0.00259   2.11588
   A57        2.12083   0.00058  -0.00250   0.00108  -0.00160   2.11923
   A58        2.03000   0.00020  -0.00040   0.00054  -0.00004   2.02996
   A59        1.90758   0.00068   0.00235  -0.00208   0.00027   1.90785
   A60        1.93138  -0.00064  -0.00175   0.00270   0.00094   1.93232
   A61        1.88554  -0.00031  -0.00276  -0.00016  -0.00293   1.88261
   A62        1.94774  -0.00002   0.00227  -0.00088   0.00140   1.94913
   A63        1.88789  -0.00032  -0.00238  -0.00080  -0.00319   1.88470
   A64        1.90216   0.00060   0.00208   0.00119   0.00326   1.90542
   A65        1.99230  -0.00089  -0.00268  -0.00111  -0.00380   1.98850
   A66        1.89172   0.00015   0.00192   0.00015   0.00207   1.89379
   A67        1.90330   0.00004  -0.00099  -0.00091  -0.00190   1.90140
   A68        1.91582   0.00035   0.00025   0.00070   0.00095   1.91678
   A69        1.92771   0.00042   0.00028   0.00075   0.00101   1.92872
   A70        1.82520   0.00001   0.00163   0.00056   0.00219   1.82739
   A71        2.09562  -0.00006   0.00020  -0.00008   0.00012   2.09574
   A72        2.10219  -0.00002   0.00030  -0.00016   0.00014   2.10232
   A73        2.08535   0.00009  -0.00049   0.00024  -0.00025   2.08510
   A74        2.09687   0.00000   0.00048  -0.00017   0.00031   2.09718
   A75        2.09545  -0.00004  -0.00009  -0.00011  -0.00020   2.09525
   A76        2.09083   0.00004  -0.00040   0.00028  -0.00012   2.09072
   A77        2.09882  -0.00003  -0.00030   0.00006  -0.00023   2.09858
   A78        2.09018   0.00001  -0.00007   0.00012   0.00005   2.09023
   A79        2.09418   0.00002   0.00037  -0.00019   0.00018   2.09436
   A80        2.08980  -0.00003   0.00000  -0.00001   0.00000   2.08980
   A81        2.09667  -0.00001  -0.00031   0.00004  -0.00027   2.09640
   A82        2.09670   0.00003   0.00031  -0.00003   0.00028   2.09698
   A83        2.09922  -0.00005  -0.00013   0.00000  -0.00013   2.09909
   A84        2.09288  -0.00001  -0.00064   0.00015  -0.00049   2.09239
   A85        2.09108   0.00005   0.00077  -0.00014   0.00062   2.09171
   A86        2.09628   0.00002   0.00043  -0.00012   0.00031   2.09659
   A87        2.09696   0.00001   0.00033  -0.00003   0.00030   2.09727
   A88        2.08991  -0.00002  -0.00076   0.00015  -0.00061   2.08931
   A89        1.96141  -0.00125  -0.00273   0.00177  -0.00099   1.96042
   A90        1.92272   0.00069   0.00014   0.00124   0.00135   1.92407
   A91        1.89722   0.00039   0.00533  -0.00043   0.00487   1.90209
   A92        1.90869  -0.00036  -0.00498  -0.00119  -0.00618   1.90252
   A93        1.91854   0.00102   0.00570   0.00090   0.00659   1.92513
   A94        1.85207  -0.00041  -0.00335  -0.00251  -0.00584   1.84623
   A95        1.85261  -0.00048  -0.00077  -0.00033  -0.00109   1.85152
   A96        1.95256   0.00163   0.00270   0.00244   0.00514   1.95771
   A97        1.95423  -0.00001   0.00267   0.00116   0.00384   1.95807
   A98        1.83792  -0.00075  -0.00065  -0.00263  -0.00328   1.83463
   A99        1.92079   0.00044  -0.00016   0.00022   0.00004   1.92083
   A100       1.93993  -0.00086  -0.00388  -0.00108  -0.00499   1.93494
   A101       1.92718   0.00016   0.00006   0.00134   0.00141   1.92858
   A102       1.94153   0.00056  -0.00021   0.00151   0.00131   1.94285
   A103       1.91097  -0.00235  -0.00650  -0.00068  -0.00719   1.90379
   A104       1.89267   0.00047  -0.00120  -0.00035  -0.00156   1.89111
   A105       1.93595   0.00152   0.00479   0.00042   0.00521   1.94116
   A106       1.92298  -0.00048   0.00196  -0.00062   0.00133   1.92431
   A107       1.85736   0.00024   0.00105  -0.00038   0.00064   1.85801
   A108       1.94950   0.00004   0.00000  -0.00037  -0.00037   1.94913
   A109       1.91436  -0.00008  -0.00040  -0.00028  -0.00068   1.91368
   A110       1.91109   0.00001   0.00125  -0.00006   0.00119   1.91228
   A111       1.93541   0.00005  -0.00097   0.00074  -0.00024   1.93518
   A112       1.92144   0.00001   0.00094   0.00028   0.00122   1.92266
   A113       1.82818  -0.00004  -0.00084  -0.00031  -0.00114   1.82704
   A114       2.09687   0.00020   0.00089   0.00001   0.00089   2.09776
   A115       2.09739  -0.00009   0.00014  -0.00016  -0.00002   2.09737
   A116       2.08892  -0.00012  -0.00103   0.00016  -0.00087   2.08805
   A117       2.09465   0.00007   0.00087  -0.00013   0.00073   2.09539
   A118       2.09468   0.00004  -0.00036   0.00018  -0.00018   2.09450
   A119       2.09386  -0.00011  -0.00051  -0.00005  -0.00055   2.09330
   A120       2.09880  -0.00003  -0.00038   0.00006  -0.00032   2.09849
   A121       2.09097   0.00002   0.00088  -0.00024   0.00064   2.09161
   A122       2.09341   0.00001  -0.00050   0.00018  -0.00032   2.09309
   A123       2.09075   0.00001   0.00007  -0.00002   0.00005   2.09080
   A124       2.09595   0.00000  -0.00052   0.00024  -0.00028   2.09567
   A125       2.09648  -0.00001   0.00045  -0.00022   0.00023   2.09671
   A126       2.09858   0.00000  -0.00017   0.00005  -0.00012   2.09846
   A127       2.09345  -0.00002   0.00028  -0.00022   0.00006   2.09351
   A128       2.09115   0.00001  -0.00011   0.00017   0.00006   2.09122
   A129       2.09466   0.00006   0.00064  -0.00011   0.00053   2.09519
   A130       2.09870  -0.00011  -0.00152   0.00008  -0.00144   2.09726
   A131       2.08982   0.00006   0.00088   0.00003   0.00091   2.09073
   A132       2.12491  -0.00076  -0.00139   0.00073  -0.00069   2.12422
   A133       2.05536   0.00044   0.00010   0.00028   0.00036   2.05572
   A134       2.09382   0.00034  -0.00010  -0.00015  -0.00027   2.09355
   A135       2.25363  -0.00004  -0.00069  -0.00036  -0.00125   2.25238
   A136       1.88580  -0.00013   0.00291  -0.00150   0.00119   1.88699
   A137       2.14232   0.00029   0.00023   0.00079   0.00081   2.14313
   A138       2.02036  -0.00109  -0.00142   0.00183   0.00041   2.02077
   A139       1.91360  -0.00138  -0.00222   0.00127  -0.00095   1.91265
   A140       1.76550   0.00047   0.00461  -0.00069   0.00392   1.76942
   A141       1.90196   0.00079   0.00217   0.00080   0.00296   1.90492
   A142       1.96287   0.00062   0.00257  -0.00108   0.00149   1.96436
   A143       1.97419  -0.00031  -0.00447   0.00054  -0.00392   1.97027
   A144       1.93361  -0.00013  -0.00165  -0.00086  -0.00252   1.93109
   A145       2.26670  -0.00043  -0.00089  -0.00083  -0.00172   2.26498
   A146       2.10366   0.00051   0.00127   0.00112   0.00239   2.10605
   A147       1.91280  -0.00008  -0.00039  -0.00028  -0.00067   1.91213
   A148       2.01233   0.00033   0.00116   0.00017   0.00133   2.01366
   A149       2.21204  -0.00030  -0.00226  -0.00051  -0.00277   2.20927
   A150       2.05879  -0.00003   0.00109   0.00034   0.00144   2.06023
   A151       1.95971  -0.00037  -0.00086  -0.00040  -0.00126   1.95844
   A152       1.96673   0.00023   0.00029   0.00021   0.00050   1.96723
   A153       2.20339  -0.00036  -0.00066  -0.00126  -0.00192   2.20147
   A154       2.11307   0.00013   0.00036   0.00105   0.00142   2.11449
   A155       1.57319  -0.00011  -0.00020   0.00030   0.00009   1.57328
   A156       1.97182   0.00052   0.00455  -0.00226   0.00229   1.97411
   A157       1.91142   0.00010   0.00218   0.00024   0.00241   1.91383
   A158       1.85271  -0.00007  -0.00151   0.00126  -0.00024   1.85246
   A159       1.95320  -0.00049  -0.00048  -0.00002  -0.00052   1.95268
   A160       1.88525  -0.00025  -0.00505   0.00152  -0.00353   1.88171
   A161       1.88452   0.00019  -0.00006  -0.00058  -0.00065   1.88387
   A162       1.97714   0.00053   0.00183  -0.00096   0.00086   1.97800
   A163       1.96066   0.00024   0.00147  -0.00075   0.00071   1.96137
   A164       1.94255   0.00011  -0.00176   0.00061  -0.00115   1.94141
   A165       1.87192  -0.00022   0.00475   0.00022   0.00496   1.87687
   A166       1.85392  -0.00040  -0.00289  -0.00010  -0.00299   1.85093
   A167       1.84961  -0.00035  -0.00377   0.00112  -0.00265   1.84696
   A168       1.93178   0.00000  -0.00088   0.00044  -0.00044   1.93134
   A169       1.96170  -0.00004   0.00104   0.00111   0.00214   1.96384
   A170       1.95763   0.00027   0.00118  -0.00056   0.00062   1.95826
   A171       1.86292  -0.00014  -0.00123  -0.00078  -0.00201   1.86091
   A172       1.86513  -0.00017  -0.00227  -0.00026  -0.00254   1.86259
   A173       1.87940   0.00004   0.00195  -0.00004   0.00191   1.88131
   A174       1.91463   0.00019   0.00008   0.00031   0.00039   1.91502
   A175       2.24480  -0.00043  -0.00118  -0.00160  -0.00279   2.24202
   A176       2.12369   0.00024   0.00112   0.00133   0.00244   2.12613
   A177       1.58074  -0.00006  -0.00026  -0.00006  -0.00032   1.58042
    D1        0.99099   0.00025   0.03092   0.01567   0.04659   1.03758
    D2        3.13722   0.00019   0.02746   0.01500   0.04247  -3.10349
    D3       -1.08625   0.00026   0.02903   0.01557   0.04460  -1.04165
    D4        3.07733   0.00016   0.02887   0.01544   0.04431   3.12164
    D5       -1.05962   0.00009   0.02541   0.01478   0.04019  -1.01943
    D6        1.00009   0.00016   0.02698   0.01534   0.04232   1.04241
    D7       -1.08785   0.00017   0.02921   0.01467   0.04388  -1.04397
    D8        1.05838   0.00011   0.02575   0.01401   0.03976   1.09814
    D9        3.11809   0.00018   0.02732   0.01457   0.04189  -3.12320
   D10        0.94445   0.00005   0.03211   0.01738   0.04949   0.99393
   D11        3.04403   0.00006   0.03209   0.01763   0.04972   3.09376
   D12       -1.15045  -0.00001   0.02961   0.01748   0.04708  -1.10337
   D13       -1.22617   0.00017   0.03536   0.01894   0.05430  -1.17186
   D14        0.87342   0.00018   0.03534   0.01919   0.05454   0.92796
   D15        2.96212   0.00011   0.03286   0.01904   0.05190   3.01402
   D16        3.01761   0.00018   0.03705   0.01759   0.05464   3.07225
   D17       -1.16599   0.00018   0.03704   0.01784   0.05488  -1.11111
   D18        0.92271   0.00011   0.03455   0.01769   0.05224   0.97495
   D19        2.55767  -0.00011  -0.02821  -0.02485  -0.05306   2.50461
   D20       -0.60578  -0.00015  -0.02887  -0.02539  -0.05426  -0.66005
   D21       -1.55821  -0.00015  -0.03056  -0.02543  -0.05599  -1.61420
   D22        1.56152  -0.00020  -0.03122  -0.02597  -0.05719   1.50433
   D23        0.49191  -0.00023  -0.03253  -0.02483  -0.05736   0.43455
   D24       -2.67154  -0.00028  -0.03319  -0.02538  -0.05857  -2.73011
   D25        3.12148   0.00002   0.00050   0.00001   0.00051   3.12200
   D26       -0.00003   0.00006   0.00112   0.00052   0.00164   0.00161
   D27       -3.12302  -0.00003  -0.00057  -0.00042  -0.00098  -3.12401
   D28       -0.00044  -0.00007  -0.00113  -0.00090  -0.00202  -0.00246
   D29        3.13359  -0.00001  -0.00200  -0.00081  -0.00281   3.13078
   D30        0.00066  -0.00001  -0.00052   0.00029  -0.00023   0.00043
   D31        2.09116   0.00021   0.05394   0.01983   0.07378   2.16494
   D32       -2.03789  -0.00003   0.05338   0.02179   0.07516  -1.96273
   D33       -0.01976   0.00019   0.05432   0.02025   0.07456   0.05480
   D34       -1.06033   0.00022   0.05226   0.01857   0.07084  -0.98949
   D35        1.09381  -0.00002   0.05170   0.02053   0.07222   1.16603
   D36        3.11193   0.00020   0.05264   0.01899   0.07163  -3.09963
   D37       -0.00097  -0.00004  -0.00035  -0.00096  -0.00130  -0.00228
   D38       -3.13084   0.00001  -0.00178  -0.00435  -0.00612  -3.13696
   D39       -3.13282  -0.00005   0.00131   0.00028   0.00159  -3.13122
   D40        0.02051   0.00000  -0.00012  -0.00311  -0.00322   0.01728
   D41       -1.27240   0.00011   0.03431   0.01058   0.04470  -1.22770
   D42        1.42485  -0.00056  -0.03373  -0.01699  -0.05053   1.37432
   D43        2.85591   0.00028   0.03505   0.00913   0.04399   2.89991
   D44       -0.73002  -0.00039  -0.03299  -0.01844  -0.05124  -0.78126
   D45        0.85578   0.00037   0.03533   0.01181   0.04694   0.90272
   D46       -2.73016  -0.00030  -0.03271  -0.01575  -0.04829  -2.77845
   D47       -0.83471  -0.00071  -0.06088  -0.03464  -0.09544  -0.93015
   D48       -2.91391  -0.00043  -0.05529  -0.03190  -0.08712  -3.00103
   D49        1.27704  -0.00061  -0.06090  -0.03393  -0.09477   1.18226
   D50        2.72036   0.00006   0.00326  -0.00929  -0.00609   2.71428
   D51        0.64117   0.00034   0.00886  -0.00656   0.00223   0.64340
   D52       -1.45108   0.00016   0.00325  -0.00859  -0.00542  -1.45649
   D53       -3.00041   0.00050   0.03490   0.02151   0.05629  -2.94412
   D54        0.14419   0.00039   0.03867   0.02489   0.06344   0.20763
   D55       -0.30643  -0.00016  -0.03400  -0.00632  -0.04020  -0.34663
   D56        2.83817  -0.00027  -0.03023  -0.00295  -0.03305   2.80511
   D57        2.80081  -0.00030  -0.01138   0.00119  -0.01008   2.79073
   D58        0.35948   0.00055   0.03967  -0.00034   0.03923   0.39871
   D59       -0.33779  -0.00041  -0.00762   0.00455  -0.00296  -0.34075
   D60       -2.77912   0.00044   0.04343   0.00302   0.04635  -2.73277
   D61       -1.68511   0.00014   0.00949  -0.00059   0.00878  -1.67633
   D62        2.46760   0.00041   0.01165  -0.00062   0.01093   2.47853
   D63        0.40485  -0.00008   0.01319  -0.00141   0.01166   0.41651
   D64        0.79148  -0.00026  -0.03875   0.00125  -0.03739   0.75410
   D65       -1.33899   0.00001  -0.03659   0.00122  -0.03524  -1.37423
   D66        2.88144  -0.00048  -0.03505   0.00044  -0.03451   2.84693
   D67       -0.45893  -0.00128  -0.01934  -0.01552  -0.03485  -0.49378
   D68        2.61236   0.00023  -0.02020   0.01000  -0.01019   2.60217
   D69        1.64019  -0.00128  -0.02478  -0.01500  -0.03978   1.60041
   D70       -1.57171   0.00022  -0.02564   0.01052  -0.01512  -1.58683
   D71       -2.53209  -0.00072  -0.02082  -0.01313  -0.03395  -2.56604
   D72        0.53920   0.00079  -0.02167   0.01239  -0.00929   0.52991
   D73        1.25877  -0.00023  -0.00049  -0.01092  -0.01141   1.24736
   D74       -2.83453  -0.00041   0.00390  -0.01243  -0.00852  -2.84305
   D75       -0.80421  -0.00017   0.00410  -0.01231  -0.00821  -0.81242
   D76       -0.83710  -0.00046   0.00014  -0.01030  -0.01016  -0.84726
   D77        1.35279  -0.00063   0.00453  -0.01181  -0.00728   1.34551
   D78       -2.90008  -0.00039   0.00473  -0.01169  -0.00697  -2.90705
   D79       -2.96261  -0.00058  -0.00405  -0.01193  -0.01599  -2.97859
   D80       -0.77272  -0.00075   0.00034  -0.01344  -0.01310  -0.78582
   D81        1.25759  -0.00051   0.00054  -0.01332  -0.01279   1.24481
   D82       -3.11221  -0.00228  -0.02901  -0.01646  -0.04546   3.12552
   D83        0.21428  -0.00152  -0.00094  -0.01847  -0.01943   0.19485
   D84       -0.04082  -0.00073  -0.02997   0.00908  -0.02086  -0.06168
   D85       -2.99751   0.00003  -0.00190   0.00708   0.00516  -2.99235
   D86        2.16031   0.00022   0.01986   0.00968   0.02954   2.18985
   D87       -1.97114   0.00023   0.02316   0.00896   0.03211  -1.93902
   D88        0.10992   0.00040   0.02296   0.01188   0.03484   0.14476
   D89       -1.15702  -0.00046  -0.00701   0.01165   0.00464  -1.15238
   D90        0.99471  -0.00045  -0.00371   0.01093   0.00721   1.00192
   D91        3.07577  -0.00028  -0.00391   0.01385   0.00994   3.08571
   D92        1.08423  -0.00003   0.02409   0.00375   0.02784   1.11207
   D93       -1.05660   0.00001   0.02416   0.00350   0.02766  -1.02894
   D94       -3.03387  -0.00010   0.02176   0.00322   0.02498  -3.00888
   D95       -1.05777   0.00032   0.02316   0.00236   0.02552  -1.03225
   D96        3.08459   0.00036   0.02322   0.00212   0.02534   3.10993
   D97        1.10732   0.00025   0.02082   0.00184   0.02266   1.12998
   D98        3.13314  -0.00021   0.02075   0.00195   0.02270  -3.12734
   D99        0.99231  -0.00016   0.02082   0.00170   0.02252   1.01484
   D100      -0.98496  -0.00027   0.01842   0.00142   0.01985  -0.96511
   D101       1.19604  -0.00109   0.00953   0.00575   0.01527   1.21132
   D102      -0.93704  -0.00025   0.01775   0.00517   0.02291  -0.91413
   D103      -2.95954  -0.00035   0.01864   0.00775   0.02639  -2.93315
   D104      -2.95881  -0.00068   0.01288   0.00437   0.01724  -2.94156
   D105       1.19130   0.00016   0.02110   0.00379   0.02489   1.21618
   D106      -0.83120   0.00005   0.02199   0.00637   0.02836  -0.80284
   D107      -0.87496  -0.00069   0.01267   0.00360   0.01627  -0.85868
   D108      -3.00804   0.00015   0.02089   0.00302   0.02391  -2.98413
   D109       1.25265   0.00004   0.02178   0.00560   0.02739   1.28004
   D110      -1.55152   0.00002   0.00787   0.00214   0.01000  -1.54152
   D111       1.59752  -0.00003   0.00638   0.00166   0.00804   1.60556
   D112       0.57611  -0.00014   0.00867   0.00207   0.01074   0.58685
   D113      -2.55804  -0.00020   0.00719   0.00159   0.00878  -2.54926
   D114       2.57973   0.00031   0.01094   0.00358   0.01452   2.59425
   D115      -0.55442   0.00025   0.00946   0.00310   0.01256  -0.54186
   D116      -3.14155  -0.00003  -0.00074  -0.00054  -0.00128   3.14036
   D117      -0.00835  -0.00004  -0.00116  -0.00146  -0.00262  -0.01097
   D118      -0.00733   0.00002   0.00074  -0.00007   0.00067  -0.00666
   D119       3.12587   0.00001   0.00032  -0.00099  -0.00068   3.12519
   D120       3.14159   0.00002   0.00053   0.00050   0.00104  -3.14056
   D121       0.00855   0.00000  -0.00031   0.00013  -0.00018   0.00837
   D122       0.00741  -0.00003  -0.00095   0.00003  -0.00092   0.00649
   D123      -3.12564  -0.00005  -0.00179  -0.00035  -0.00214  -3.12778
   D124       0.00145   0.00000  -0.00008   0.00006  -0.00002   0.00143
   D125       3.13906   0.00000   0.00001   0.00006   0.00008   3.13914
   D126      -3.13177   0.00001   0.00034   0.00098   0.00132  -3.13044
   D127       0.00584   0.00002   0.00043   0.00099   0.00142   0.00726
   D128       0.00438  -0.00001  -0.00037  -0.00002  -0.00038   0.00400
   D129       3.14058   0.00001  -0.00001   0.00023   0.00022   3.14080
   D130      -3.13321  -0.00002  -0.00046  -0.00002  -0.00048  -3.13370
   D131       0.00298   0.00001  -0.00010   0.00023   0.00012   0.00311
   D132      -0.00431   0.00001   0.00016  -0.00002   0.00013  -0.00417
   D133       3.13380   0.00003   0.00049   0.00031   0.00081   3.13460
   D134      -3.14050  -0.00002  -0.00020  -0.00027  -0.00047  -3.14097
   D135      -0.00240   0.00000   0.00014   0.00007   0.00020  -0.00220
   D136      -0.00161   0.00001   0.00050   0.00002   0.00052  -0.00109
   D137       3.13147   0.00003   0.00135   0.00039   0.00174   3.13321
   D138      -3.13972  -0.00001   0.00017  -0.00032  -0.00015  -3.13987
   D139      -0.00664   0.00001   0.00101   0.00005   0.00107  -0.00557
   D140      -1.43212  -0.00022  -0.04350  -0.02154  -0.06504  -1.49717
   D141       2.85524   0.00013  -0.04364  -0.01945  -0.06308   2.79215
   D142       0.66425   0.00000  -0.04266  -0.02082  -0.06350   0.60076
   D143       0.70889  -0.00046  -0.04878  -0.01961  -0.06838   0.64051
   D144      -1.28694  -0.00011  -0.04892  -0.01751  -0.06642  -1.35335
   D145       2.80526  -0.00023  -0.04794  -0.01889  -0.06683   2.73843
   D146       2.73562  -0.00059  -0.05243  -0.02281  -0.07526   2.66037
   D147       0.73980  -0.00024  -0.05257  -0.02072  -0.07330   0.66651
   D148      -1.45118  -0.00036  -0.05160  -0.02209  -0.07371  -1.52489
   D149       2.25302  -0.00040  -0.01450   0.00162  -0.01288   2.24014
   D150      -1.95717   0.00088  -0.01209   0.00299  -0.00909  -1.96626
   D151       0.13504  -0.00035  -0.01716   0.00030  -0.01687   0.11817
   D152      -1.08907  -0.00002   0.01459   0.00928   0.02387  -1.06520
   D153       3.04813  -0.00069   0.01316   0.00820   0.02137   3.06950
   D154       1.02829   0.00003   0.01610   0.00921   0.02531   1.05361
   D155      -3.09392   0.00018   0.01455   0.00998   0.02453  -3.06938
   D156       1.04328  -0.00049   0.01312   0.00890   0.02203   1.06531
   D157      -0.97656   0.00023   0.01606   0.00991   0.02598  -0.95058
   D158       1.10977   0.00056   0.01719   0.01185   0.02903   1.13880
   D159      -1.03622  -0.00012   0.01576   0.01077   0.02653  -1.00969
   D160      -3.05606   0.00061   0.01871   0.01179   0.03047  -3.02558
   D161       3.01516   0.00065  -0.00991  -0.00530  -0.01520   2.99996
   D162      -1.11491   0.00068  -0.01144  -0.00481  -0.01624  -1.13116
   D163       0.88213   0.00060  -0.01197  -0.00536  -0.01733   0.86481
   D164      -1.13644  -0.00091  -0.01501  -0.00482  -0.01984  -1.15628
   D165       1.01666  -0.00087  -0.01654  -0.00434  -0.02088   0.99578
   D166       3.01371  -0.00095  -0.01707  -0.00489  -0.02196   2.99175
   D167       0.91562   0.00002  -0.00957  -0.00542  -0.01499   0.90063
   D168       3.06873   0.00006  -0.01110  -0.00493  -0.01603   3.05270
   D169      -1.21741  -0.00002  -0.01163  -0.00549  -0.01711  -1.23452
   D170       1.14111   0.00015   0.01186   0.00378   0.01563   1.15675
   D171      -2.14517   0.00031   0.00049   0.01055   0.01103  -2.13414
   D172      -1.00818   0.00005   0.01336   0.00206   0.01543  -0.99275
   D173       1.98872   0.00020   0.00199   0.00883   0.01083   1.99956
   D174      -3.09987  -0.00037   0.00770   0.00281   0.01050  -3.08937
   D175      -0.10297  -0.00021  -0.00368   0.00958   0.00590  -0.09707
   D176       1.73378   0.00003   0.00764   0.00365   0.01129   1.74507
   D177      -1.40510   0.00003   0.00789   0.00368   0.01158  -1.39352
   D178      -0.40736   0.00007   0.00886   0.00374   0.01260  -0.39476
   D179       2.73696   0.00006   0.00911   0.00378   0.01289   2.74984
   D180      -2.42233   0.00008   0.00989   0.00352   0.01341  -2.40893
   D181       0.72198   0.00007   0.01014   0.00355   0.01369   0.73567
   D182      -3.13956  -0.00001   0.00012  -0.00007   0.00005  -3.13952
   D183       0.00376   0.00001   0.00044  -0.00025   0.00020   0.00395
   D184      -0.00068   0.00000  -0.00013  -0.00010  -0.00023  -0.00091
   D185      -3.14054   0.00001   0.00020  -0.00028  -0.00008  -3.14063
   D186       3.13961   0.00000  -0.00025   0.00009  -0.00017   3.13944
   D187      -0.00442   0.00000  -0.00048   0.00006  -0.00042  -0.00484
   D188       0.00072   0.00000  -0.00001   0.00012   0.00011   0.00084
   D189       3.13989   0.00000  -0.00023   0.00009  -0.00014   3.13974
   D190       0.00062   0.00000   0.00017   0.00001   0.00018   0.00081
   D191      -3.14052   0.00001   0.00032  -0.00006   0.00026  -3.14025
   D192       3.14049  -0.00001  -0.00016   0.00019   0.00003   3.14052
   D193      -0.00065  -0.00001  -0.00001   0.00012   0.00011  -0.00054
   D194      -0.00060   0.00000  -0.00007   0.00006  -0.00001  -0.00062
   D195      -3.14066   0.00000   0.00000  -0.00007  -0.00008  -3.14074
   D196       3.14053  -0.00001  -0.00022   0.00013  -0.00009   3.14044
   D197       0.00048   0.00000  -0.00015   0.00000  -0.00015   0.00032
   D198       0.00065   0.00000  -0.00007  -0.00004  -0.00011   0.00054
   D199      -3.13987   0.00000  -0.00005  -0.00008  -0.00012  -3.13999
   D200       3.14070   0.00000  -0.00014   0.00009  -0.00005   3.14066
   D201       0.00019   0.00000  -0.00012   0.00006  -0.00006   0.00013
   D202      -0.00071   0.00000   0.00010  -0.00005   0.00006  -0.00065
   D203      -3.13988   0.00000   0.00033  -0.00002   0.00032  -3.13957
   D204       3.13981   0.00000   0.00008  -0.00001   0.00007   3.13988
   D205       0.00063   0.00000   0.00031   0.00002   0.00033   0.00096
   D206      -0.09925   0.00134   0.01495  -0.01038   0.00456  -0.09469
   D207       3.09942  -0.00091  -0.02396   0.01084  -0.01311   3.08631
   D208      -3.09303   0.00118   0.02655  -0.01734   0.00921  -3.08382
   D209       0.10564  -0.00107  -0.01236   0.00389  -0.00846   0.09718
   D210       2.83524   0.00133   0.02428   0.00133   0.02563   2.86086
   D211      -0.25371  -0.00073  -0.01154   0.02095   0.00939  -0.24432
   D212      -1.52167   0.00076  -0.00186  -0.00089  -0.00275  -1.52441
   D213       2.68561   0.00039  -0.00625   0.00017  -0.00607   2.67954
   D214       0.64768   0.00000  -0.00747   0.00117  -0.00631   0.64138
   D215      -0.22657  -0.00011  -0.01972  -0.01212  -0.03183  -0.25840
   D216       2.90671  -0.00016  -0.02171  -0.00994  -0.03165   2.87505
   D217       1.72309  -0.00001  -0.01401  -0.01280  -0.02682   1.69627
   D218      -1.42681  -0.00006  -0.01601  -0.01063  -0.02664  -1.45345
   D219      -2.35323   0.00007  -0.01782  -0.01444  -0.03226  -2.38549
   D220       0.78005   0.00002  -0.01982  -0.01227  -0.03209   0.74796
   D221       3.13326  -0.00012  -0.00357   0.00267  -0.00091   3.13235
   D222      -0.01642   0.00004  -0.00299   0.00320   0.00021  -0.01621
   D223      -0.00074  -0.00008  -0.00175   0.00067  -0.00108  -0.00181
   D224       3.13277   0.00008  -0.00117   0.00121   0.00004   3.13281
   D225      -3.13734   0.00008   0.00272  -0.00239   0.00033  -3.13702
   D226      -0.00252   0.00004   0.00109  -0.00063   0.00046  -0.00206
   D227       0.00506   0.00009   0.00165  -0.00034   0.00131   0.00638
   D228      -3.12919  -0.00006   0.00114  -0.00081   0.00032  -3.12888
   D229      -0.00688  -0.00005  -0.00073  -0.00017  -0.00090  -0.00778
   D230       3.13701  -0.00004  -0.00112   0.00044  -0.00067   3.13634
   D231       0.00555   0.00001  -0.00020   0.00047   0.00027   0.00582
   D232      -3.13821  -0.00001   0.00016  -0.00012   0.00005  -3.13816
   D233       0.17171  -0.00008   0.00722   0.00057   0.00779   0.17950
   D234       2.29625   0.00020   0.01595  -0.00041   0.01554   2.31179
   D235      -1.91599  -0.00002   0.01094   0.00093   0.01187  -1.90412
   D236      -1.99546  -0.00024   0.00118   0.00203   0.00320  -1.99226
   D237       0.12908   0.00004   0.00991   0.00104   0.01095   0.14004
   D238       2.20003  -0.00017   0.00490   0.00238   0.00728   2.20731
   D239       2.21560  -0.00003   0.00477   0.00179   0.00655   2.22215
   D240      -1.94304   0.00025   0.01350   0.00080   0.01430  -1.92874
   D241       0.12791   0.00004   0.00849   0.00215   0.01063   0.13854
   D242       2.93355   0.00011   0.02745   0.01716   0.04461   2.97816
   D243      -1.26844  -0.00009   0.02597   0.01721   0.04318  -1.22526
   D244       0.85225   0.00014   0.03014   0.01756   0.04771   0.89996
   D245      -1.14907   0.00051   0.03466   0.01438   0.04904  -1.10003
   D246       0.93212   0.00031   0.03319   0.01443   0.04762   0.97973
   D247       3.05281   0.00054   0.03736   0.01478   0.05214   3.10495
   D248       0.92348   0.00003   0.02813   0.01586   0.04398   0.96747
   D249       3.00467  -0.00017   0.02665   0.01591   0.04256   3.04723
   D250      -1.15782   0.00006   0.03082   0.01626   0.04708  -1.11073
   D251       0.00078   0.00006   0.00079   0.00101   0.00180   0.00258
   D252       3.13160   0.00001   0.00209   0.00410   0.00620   3.13781
         Item               Value     Threshold  Converged?
 Maximum Force            0.003752     0.000450     NO 
 RMS     Force            0.000516     0.000300     NO 
 Maximum Displacement     0.375820     0.001800     NO 
 RMS     Displacement     0.078099     0.001200     NO 
 Predicted change in Energy=-1.032593D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.573508   -2.649463    0.242273
      2          6           0       -9.326518   -1.408023   -0.617155
      3          6           0      -10.362265   -0.312133   -0.336194
      4          6           0       -7.951286   -0.855009   -0.409205
      5          7           0       -7.183415   -0.315118   -1.325760
      6          6           0       -5.945623    0.134667   -0.796290
      7          6           0       -4.975936    0.760097   -1.762050
      8          7           0       -4.551266    2.126439   -1.377029
      9          6           0       -5.606090    3.166546   -1.504431
     10          6           0       -3.573183    2.362495   -0.381845
     11          8           0       -3.382640    3.487160    0.066763
     12          7           0       -2.801126    1.249723    0.078881
     13          6           0       -1.516022    1.585384    0.745957
     14          6           0       -0.380329    1.488906   -0.291751
     15          8           0       -0.449402    0.733606   -1.255787
     16          7           0        0.697904    2.339975   -0.110096
     17          6           0        1.859454    2.320619   -1.036798
     18          6           0        2.098671    3.747199   -1.587586
     19          6           0        2.478373    4.751638   -0.535156
     20          6           0        1.481004    5.459525    0.154337
     21          6           0        1.831831    6.392172    1.133610
     22          6           0        3.177803    6.627741    1.431979
     23          6           0        4.173698    5.929033    0.742424
     24          6           0        3.828577    4.994848   -0.237928
     25          6           0        3.112570    1.765495   -0.329342
     26          6           0        2.995005    0.266715   -0.027278
     27          8           0        2.308343    0.166646    1.235685
     28          6           0        4.388451   -0.397243    0.212897
     29          6           0        5.289193   -0.276153   -1.032649
     30          6           0        6.691966   -0.734134   -0.749759
     31          6           0        7.107498   -2.016821   -1.138580
     32          6           0        8.411801   -2.440669   -0.871888
     33          6           0        9.308470   -1.590546   -0.216193
     34          6           0        8.896188   -0.312013    0.172274
     35          6           0        7.592897    0.117570   -0.091810
     36          7           0        4.189080   -1.821309    0.597194
     37          6           0        3.666735   -2.744471   -0.285520
     38          8           0        3.222982   -2.569203   -1.402724
     39          8           0        3.671287   -3.996521    0.340693
     40          6           0        2.837044   -5.017349   -0.278201
     41          6           0        1.462034   -4.928585    0.261478
     42          6           0        0.996466   -4.270415    1.366422
     43          7           0       -0.392269   -4.381054    1.596185
     44          6           0       -0.986583   -5.116665    0.690913
     45         16           0        0.137842   -5.729364   -0.541996
     46          6           0       -1.299946    0.602837    1.934499
     47          6           0       -0.961846   -0.821360    1.483277
     48          6           0       -0.239462    1.167624    2.883195
     49          6           0       -5.774904   -0.069148    0.542719
     50         16           0       -7.183078   -0.841626    1.202019
     51          1           0      -10.571204   -3.063388    0.048447
     52          1           0       -8.845378   -3.441135    0.027449
     53          1           0       -9.526411   -2.436052    1.316951
     54          1           0       -9.410885   -1.706477   -1.701294
     55          1           0      -10.380572   -0.024856    0.721522
     56          1           0      -10.152459    0.594120   -0.919465
     57          1           0      -11.370380   -0.647667   -0.604016
     58          1           0       -4.079727    0.103195   -1.878559
     59          1           0       -5.437876    0.819201   -2.782014
     60          1           0       -6.027305    3.140630   -2.521799
     61          1           0       -5.159801    4.166427   -1.336766
     62          1           0       -6.423806    3.027084   -0.778076
     63          1           0       -2.718534    0.431741   -0.546042
     64          1           0       -1.588422    2.637468    1.150889
     65          1           0        0.816434    2.870702    0.751488
     66          1           0        1.597104    1.649844   -1.907552
     67          1           0        1.176642    4.082003   -2.113770
     68          1           0        2.873898    3.702117   -2.379294
     69          1           0        0.429749    5.289240   -0.079708
     70          1           0        1.052654    6.939505    1.663041
     71          1           0        3.448668    7.354868    2.194279
     72          1           0        5.222466    6.115279    0.968179
     73          1           0        4.610482    4.462453   -0.773954
     74          1           0        3.292013    2.313206    0.620833
     75          1           0        4.001628    1.961824   -0.963310
     76          1           0        2.426100   -0.278392   -0.815997
     77          1           0        1.543632   -0.447098    1.164135
     78          1           0        4.872707    0.105255    1.093462
     79          1           0        4.843831   -0.856223   -1.875555
     80          1           0        5.294314    0.777644   -1.387455
     81          1           0        6.413376   -2.682596   -1.650488
     82          1           0        8.730939   -3.436412   -1.176326
     83          1           0       10.323651   -1.922958   -0.010573
     84          1           0        9.592603    0.352432    0.681543
     85          1           0        7.280482    1.114036    0.211808
     86          1           0        4.571812   -2.130442    1.488902
     87          1           0        3.358584   -5.946429    0.035520
     88          1           0        2.876383   -4.899686   -1.384057
     89          1           0        1.586102   -3.688817    2.070275
     90          1           0       -2.042649   -5.352563    0.652561
     91          1           0       -2.276024    0.564901    2.489762
     92          1           0       -0.746780   -0.897744    0.409007
     93          1           0       -0.102367   -1.237307    2.022746
     94          1           0       -1.796622   -1.508005    1.675287
     95          1           0       -0.191981    0.576671    3.806649
     96          1           0        0.770169    1.149508    2.445570
     97          1           0       -0.456996    2.198931    3.180026
     98          1           0       -4.926744    0.190241    1.158833
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0649778      0.0274620      0.0205410
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3521.5091095978 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.243506341525     A.U. after   18 cycles
             Convg  =    0.8929D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000054599    0.000270334   -0.000021069
      2        6           0.000092983   -0.000208720   -0.000254985
      3        6          -0.000212445   -0.000077336    0.000022971
      4        6          -0.000166782   -0.000254933    0.000537560
      5        7          -0.000220746    0.000206001    0.000048141
      6        6          -0.000439832    0.000012365   -0.000102607
      7        6           0.000962827   -0.000446984    0.000920936
      8        7          -0.000676842    0.001594044   -0.000999232
      9        6           0.000382245   -0.000229276    0.000282216
     10        6          -0.000986932   -0.000935263    0.001499949
     11        8           0.000136276    0.000045125    0.000233631
     12        7          -0.000317322    0.000415355   -0.002193739
     13        6           0.000297642    0.000462034    0.000868878
     14        6           0.000412828    0.000722308   -0.000952349
     15        8          -0.000240163   -0.000505720    0.000190443
     16        7          -0.000246139   -0.000621248    0.000485529
     17        6          -0.000401609    0.000355511   -0.000248916
     18        6          -0.000090494   -0.000313800    0.000352150
     19        6           0.000006876    0.000096007    0.000064008
     20        6           0.000067810   -0.000057950    0.000043770
     21        6          -0.000077374    0.000134439   -0.000013095
     22        6          -0.000023320    0.000058714   -0.000015154
     23        6           0.000141566   -0.000090157    0.000013597
     24        6          -0.000002436    0.000105192   -0.000020445
     25        6           0.000174006    0.000357712    0.000045638
     26        6          -0.000405138    0.000132163   -0.000136178
     27        8          -0.000154102   -0.000605160   -0.000101819
     28        6          -0.000171148    0.000233893   -0.000220101
     29        6          -0.000141025    0.000156868    0.000188466
     30        6          -0.000105875   -0.000020212    0.000063231
     31        6           0.000233725    0.000125148   -0.000107104
     32        6          -0.000133709   -0.000268505   -0.000004811
     33        6           0.000035238    0.000228975    0.000036190
     34        6           0.000136339   -0.000011759   -0.000059806
     35        6          -0.000003553   -0.000027779    0.000019531
     36        7          -0.000581697    0.000039668   -0.000175303
     37        6           0.003274701    0.000211461    0.000014058
     38        8          -0.001166736   -0.000120246   -0.000011446
     39        8          -0.000606088   -0.000259861    0.000283554
     40        6          -0.000183151    0.000307027   -0.000599690
     41        6          -0.000092191    0.000165315   -0.000426715
     42        6           0.000099578   -0.000102744    0.000346615
     43        7          -0.000029232   -0.000403746   -0.000049670
     44        6          -0.000552197    0.000512893   -0.000253297
     45       16           0.000357859   -0.000432492    0.000064949
     46        6           0.000351893   -0.000333842    0.000114922
     47        6           0.000186287    0.000303437    0.000494714
     48        6          -0.000078333    0.000130257   -0.000033191
     49        6           0.000432329    0.000044194    0.000261919
     50       16           0.000072024    0.000108062   -0.000499846
     51        1          -0.000172873    0.000131795   -0.000050457
     52        1          -0.000068176   -0.000178490    0.000083956
     53        1           0.000112860   -0.000028625   -0.000030347
     54        1           0.000261674    0.000001311   -0.000129633
     55        1           0.000054297   -0.000068885   -0.000021758
     56        1           0.000000240    0.000085669    0.000018644
     57        1           0.000098850   -0.000018204    0.000160165
     58        1          -0.000027452    0.000028091   -0.000118585
     59        1           0.000004703   -0.000024161   -0.000159671
     60        1          -0.000260885   -0.000052632   -0.000157900
     61        1           0.000126918   -0.000045092    0.000074750
     62        1          -0.000057382    0.000076525   -0.000128433
     63        1           0.000522196   -0.000879433    0.000358011
     64        1           0.000306831    0.000068078   -0.000027067
     65        1           0.000195624    0.000176773   -0.000515842
     66        1           0.000199007   -0.000110164   -0.000063658
     67        1           0.000013082    0.000060691   -0.000006706
     68        1           0.000006418    0.000052668    0.000030075
     69        1          -0.000054167   -0.000020924   -0.000053771
     70        1          -0.000012320   -0.000017989    0.000014219
     71        1          -0.000005522   -0.000007681    0.000004085
     72        1          -0.000025341    0.000020811   -0.000006021
     73        1           0.000033238   -0.000003878   -0.000022231
     74        1           0.000052597   -0.000024946    0.000096043
     75        1          -0.000073267   -0.000337523    0.000024291
     76        1           0.000206585   -0.000030262    0.000194218
     77        1           0.000021295    0.000232054    0.000204199
     78        1          -0.000114289    0.000059961    0.000175912
     79        1           0.000051934   -0.000175677    0.000039346
     80        1           0.000066742    0.000033260   -0.000130081
     81        1          -0.000081679   -0.000122928    0.000000103
     82        1           0.000018544    0.000043441   -0.000000069
     83        1          -0.000009965   -0.000043624   -0.000005582
     84        1          -0.000018078    0.000024952    0.000012323
     85        1          -0.000030064    0.000002654    0.000020522
     86        1           0.000240890    0.000056362   -0.000073703
     87        1          -0.000219178   -0.000109689    0.000287552
     88        1           0.000054878   -0.000102434    0.000253359
     89        1           0.000029558    0.000065021   -0.000130628
     90        1           0.000152857   -0.000053544    0.000061390
     91        1          -0.000077189   -0.000484747   -0.000220888
     92        1          -0.000232423    0.000197520    0.000091580
     93        1          -0.000162816    0.000196959   -0.000038689
     94        1          -0.000106931    0.000093134    0.000015810
     95        1          -0.000223845    0.000065325   -0.000019464
     96        1          -0.000074143   -0.000115517   -0.000138629
     97        1           0.000097388    0.000020942    0.000082875
     98        1          -0.000115044    0.000056281   -0.000050613
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003274701 RMS     0.000376614

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001544729 RMS     0.000274858
 Search for a local minimum.
 Step number  16 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   12   11   13   15   16
 DE= -1.02D-03 DEPred=-1.03D-03 R= 9.88D-01
 SS=  1.41D+00  RLast= 5.05D-01 DXNew= 8.4853D-01 1.5135D+00
 Trust test= 9.88D-01 RLast= 5.05D-01 DXMaxT set to 8.49D-01
     Eigenvalues ---    0.00168   0.00321   0.00349   0.00427   0.00521
     Eigenvalues ---    0.00581   0.00591   0.00652   0.00687   0.00743
     Eigenvalues ---    0.00835   0.00888   0.00917   0.00936   0.01003
     Eigenvalues ---    0.01031   0.01082   0.01146   0.01203   0.01227
     Eigenvalues ---    0.01270   0.01352   0.01374   0.01395   0.01406
     Eigenvalues ---    0.01439   0.01546   0.01564   0.01588   0.01593
     Eigenvalues ---    0.01610   0.01722   0.01747   0.01860   0.01926
     Eigenvalues ---    0.01946   0.01973   0.01999   0.02078   0.02178
     Eigenvalues ---    0.02194   0.02203   0.02212   0.02220   0.02258
     Eigenvalues ---    0.02269   0.02290   0.02328   0.02374   0.02406
     Eigenvalues ---    0.02408   0.02414   0.02448   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02606   0.02700   0.02734
     Eigenvalues ---    0.03059   0.03306   0.03675   0.04008   0.04116
     Eigenvalues ---    0.04126   0.04200   0.04324   0.04492   0.04740
     Eigenvalues ---    0.04801   0.04866   0.04927   0.04983   0.04998
     Eigenvalues ---    0.05066   0.05167   0.05285   0.05393   0.05469
     Eigenvalues ---    0.05488   0.05531   0.05563   0.05603   0.05670
     Eigenvalues ---    0.05757   0.05801   0.05817   0.05831   0.05915
     Eigenvalues ---    0.05967   0.06189   0.06308   0.06452   0.06788
     Eigenvalues ---    0.06894   0.07028   0.07152   0.07491   0.07630
     Eigenvalues ---    0.07942   0.08609   0.09443   0.09794   0.10279
     Eigenvalues ---    0.11960   0.12483   0.12887   0.13088   0.13396
     Eigenvalues ---    0.13446   0.13936   0.14326   0.15737   0.15870
     Eigenvalues ---    0.15907   0.15956   0.15998   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16003   0.16005   0.16021   0.16028   0.16058
     Eigenvalues ---    0.16061   0.16091   0.16165   0.16251   0.16900
     Eigenvalues ---    0.17011   0.17062   0.17460   0.17788   0.18043
     Eigenvalues ---    0.18061   0.18314   0.18865   0.20281   0.20905
     Eigenvalues ---    0.21261   0.21716   0.21853   0.21857   0.21952
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22008   0.22085
     Eigenvalues ---    0.22180   0.22777   0.22984   0.23141   0.23445
     Eigenvalues ---    0.23486   0.23683   0.23729   0.24228   0.24493
     Eigenvalues ---    0.24874   0.24967   0.24983   0.24997   0.25000
     Eigenvalues ---    0.25003   0.25029   0.25075   0.25087   0.25467
     Eigenvalues ---    0.28880   0.29428   0.29584   0.29760   0.29893
     Eigenvalues ---    0.30085   0.30144   0.30228   0.30392   0.30694
     Eigenvalues ---    0.30841   0.30998   0.31313   0.31413   0.31432
     Eigenvalues ---    0.31488   0.31531   0.31559   0.31664   0.31990
     Eigenvalues ---    0.32090   0.32340   0.32385   0.32424   0.32596
     Eigenvalues ---    0.32672   0.32772   0.32788   0.32815   0.32916
     Eigenvalues ---    0.32978   0.33025   0.33060   0.33078   0.33128
     Eigenvalues ---    0.33169   0.33279   0.33388   0.33531   0.33568
     Eigenvalues ---    0.33668   0.33682   0.33792   0.33854   0.33987
     Eigenvalues ---    0.33990   0.34155   0.34215   0.34231   0.34332
     Eigenvalues ---    0.34364   0.34376   0.34464   0.34502   0.34621
     Eigenvalues ---    0.34722   0.35249   0.35882   0.36142   0.36253
     Eigenvalues ---    0.36314   0.36377   0.36626   0.36827   0.36945
     Eigenvalues ---    0.37132   0.38431   0.38661   0.39370   0.40627
     Eigenvalues ---    0.41432   0.41781   0.42333   0.42540   0.42942
     Eigenvalues ---    0.43292   0.43702   0.44230   0.44453   0.45127
     Eigenvalues ---    0.45908   0.47515   0.47604   0.48367   0.48520
     Eigenvalues ---    0.48597   0.48835   0.49121   0.49970   0.50306
     Eigenvalues ---    0.50880   0.51242   0.51398   0.51975   0.56352
     Eigenvalues ---    0.58144   0.59210   0.62302   0.65177   0.71716
     Eigenvalues ---    0.75970   0.77972   0.837681000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    16   15   14   13
 RFO step:  Lambda=-1.30599421D-04.
 DIIS coeffs:      1.50131      0.96789     -1.13921     -0.33000
 Iteration  1 RMS(Cart)=  0.17730477 RMS(Int)=  0.00281336
 Iteration  2 RMS(Cart)=  0.00937889 RMS(Int)=  0.00039442
 Iteration  3 RMS(Cart)=  0.00003284 RMS(Int)=  0.00039432
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00039432
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89122   0.00002   0.00011   0.00024   0.00034   2.89156
    R2        2.07380  -0.00004   0.00001  -0.00023  -0.00022   2.07358
    R3        2.07274   0.00001   0.00019   0.00008   0.00027   2.07300
    R4        2.07242   0.00003  -0.00020   0.00019  -0.00001   2.07241
    R5        2.89855  -0.00008  -0.00036  -0.00063  -0.00099   2.89756
    R6        2.82849  -0.00001  -0.00028  -0.00019  -0.00047   2.82802
    R7        2.13091   0.00002  -0.00037   0.00021  -0.00016   2.13075
    R8        2.07149   0.00006  -0.00027   0.00035   0.00007   2.07156
    R9        2.07485  -0.00004  -0.00043  -0.00021  -0.00064   2.07421
   R10        2.07061   0.00006   0.00015   0.00037   0.00052   2.07114
   R11        2.47920   0.00005  -0.00048   0.00086   0.00037   2.47958
   R12        3.37324  -0.00039   0.00001  -0.00308  -0.00308   3.37016
   R13        2.68233  -0.00003   0.00070  -0.00049   0.00021   2.68254
   R14        2.84349  -0.00022  -0.00174  -0.00032  -0.00206   2.84143
   R15        2.57976   0.00004  -0.00010   0.00073   0.00063   2.58039
   R16        2.80003  -0.00009   0.00273   0.00146   0.00419   2.80422
   R17        2.11133  -0.00001   0.00008   0.00015   0.00023   2.11156
   R18        2.11886   0.00010   0.00071   0.00044   0.00115   2.12001
   R19        2.80973   0.00017   0.00188   0.00242   0.00430   2.81403
   R20        2.67432   0.00097   0.00531   0.00726   0.01257   2.68689
   R21        2.08139   0.00003   0.00049   0.00016   0.00066   2.08204
   R22        2.09329  -0.00001  -0.00001   0.00016   0.00015   2.09344
   R23        2.08359  -0.00013  -0.00108  -0.00044  -0.00152   2.08207
   R24        2.31630  -0.00010  -0.00240   0.00071  -0.00168   2.31462
   R25        2.70343  -0.00154   0.00313  -0.00761  -0.00448   2.69895
   R26        2.80874  -0.00054  -0.00116  -0.00200  -0.00315   2.80559
   R27        1.95150  -0.00099   0.00529  -0.00652  -0.00124   1.95026
   R28        2.91284   0.00011  -0.00071   0.00158   0.00087   2.91371
   R29        2.94259   0.00038   0.00204  -0.00102   0.00102   2.94361
   R30        2.13472   0.00007  -0.00103   0.00105   0.00003   2.13474
   R31        2.31799  -0.00044  -0.00097  -0.00124  -0.00221   2.31578
   R32        2.61842   0.00032   0.00146   0.00214   0.00360   2.62202
   R33        2.80823  -0.00011   0.00195   0.00110   0.00305   2.81128
   R34        1.92534  -0.00027   0.00093  -0.00189  -0.00096   1.92438
   R35        2.92494  -0.00035  -0.00090  -0.00194  -0.00285   2.92210
   R36        2.91469  -0.00020  -0.00144   0.00109  -0.00035   2.91434
   R37        2.13546  -0.00012  -0.00072  -0.00010  -0.00081   2.13464
   R38        2.84131  -0.00021   0.00029  -0.00120  -0.00091   2.84040
   R39        2.10355   0.00004   0.00026   0.00044   0.00070   2.10425
   R40        2.09565  -0.00001  -0.00041  -0.00018  -0.00058   2.09506
   R41        2.65320  -0.00004  -0.00010   0.00003  -0.00007   2.65313
   R42        2.65273  -0.00010  -0.00016  -0.00044  -0.00060   2.65213
   R43        2.64014  -0.00012   0.00009  -0.00059  -0.00049   2.63964
   R44        2.06050  -0.00005  -0.00001  -0.00042  -0.00043   2.06007
   R45        2.64302  -0.00004  -0.00008  -0.00008  -0.00016   2.64287
   R46        2.05884   0.00000  -0.00001  -0.00006  -0.00007   2.05877
   R47        2.64257  -0.00009   0.00004  -0.00053  -0.00049   2.64208
   R48        2.05553   0.00001  -0.00002   0.00003   0.00001   2.05555
   R49        2.64082   0.00002   0.00000   0.00014   0.00015   2.64097
   R50        2.05760   0.00001   0.00023   0.00000   0.00023   2.05783
   R51        2.05463  -0.00003   0.00021  -0.00022  -0.00001   2.05462
   R52        2.89776  -0.00035   0.00014  -0.00036  -0.00022   2.89754
   R53        2.10008   0.00006   0.00205   0.00000   0.00205   2.10213
   R54        2.09656   0.00006  -0.00007   0.00024   0.00017   2.09674
   R55        2.72317   0.00011  -0.00043   0.00077   0.00034   2.72351
   R56        2.95198  -0.00062  -0.00145  -0.00086  -0.00230   2.94968
   R57        2.10674  -0.00003  -0.00083   0.00076  -0.00008   2.10667
   R58        1.85788   0.00026   0.00210   0.00101   0.00311   1.86099
   R59        2.91372  -0.00007   0.00126  -0.00173  -0.00047   2.91325
   R60        2.81271  -0.00052  -0.00177   0.00106  -0.00071   2.81200
   R61        2.12323   0.00001   0.00005  -0.00030  -0.00025   2.12298
   R62        2.83934  -0.00003  -0.00009  -0.00042  -0.00050   2.83883
   R63        2.10882  -0.00018   0.00076  -0.00119  -0.00043   2.10839
   R64        2.10125   0.00011   0.00058   0.00040   0.00097   2.10223
   R65        2.65177  -0.00012   0.00000  -0.00062  -0.00062   2.65116
   R66        2.65234  -0.00002   0.00002   0.00006   0.00007   2.65241
   R67        2.64020   0.00008   0.00019   0.00043   0.00062   2.64082
   R68        2.05894  -0.00014  -0.00014  -0.00083  -0.00097   2.05798
   R69        2.64336  -0.00018  -0.00015  -0.00087  -0.00102   2.64234
   R70        2.05801   0.00002   0.00008   0.00007   0.00015   2.05816
   R71        2.64260   0.00003   0.00014   0.00025   0.00039   2.64299
   R72        2.05570   0.00002  -0.00008   0.00009   0.00001   2.05570
   R73        2.64079  -0.00011   0.00003  -0.00056  -0.00053   2.64026
   R74        2.05784  -0.00002   0.00003  -0.00014  -0.00011   2.05773
   R75        2.05514  -0.00003  -0.00016  -0.00015  -0.00031   2.05484
   R76        2.60772  -0.00028   0.00000   0.00086   0.00086   2.60858
   R77        1.92454  -0.00015  -0.00075  -0.00064  -0.00140   1.92315
   R78        2.29567  -0.00027  -0.00069  -0.00048  -0.00117   2.29450
   R79        2.64548  -0.00016  -0.00055   0.00057   0.00002   2.64550
   R80        2.75218  -0.00031  -0.00106   0.00094  -0.00012   2.75206
   R81        2.79640  -0.00014  -0.00079   0.00032  -0.00046   2.79594
   R82        2.09889   0.00032   0.00119   0.00148   0.00267   2.10156
   R83        2.10288  -0.00027   0.00045  -0.00175  -0.00130   2.10158
   R84        2.58474   0.00014   0.00053   0.00062   0.00116   2.58590
   R85        3.29501  -0.00018  -0.00094  -0.00132  -0.00226   3.29275
   R86        2.66821  -0.00019  -0.00020  -0.00091  -0.00110   2.66711
   R87        2.05393  -0.00009  -0.00034  -0.00097  -0.00132   2.05261
   R88        2.47392   0.00026   0.00024   0.00102   0.00127   2.47518
   R89        3.35914  -0.00036  -0.00104  -0.00296  -0.00400   3.35514
   R90        2.04614   0.00011   0.00014   0.00070   0.00084   2.04698
   R91        2.89458   0.00099   0.00080   0.00163   0.00243   2.89701
   R92        2.89297   0.00000   0.00060  -0.00076  -0.00016   2.89281
   R93        2.12330  -0.00017   0.00003  -0.00101  -0.00098   2.12233
   R94        2.07539   0.00015  -0.00010   0.00096   0.00086   2.07624
   R95        2.07246   0.00003   0.00006  -0.00010  -0.00004   2.07242
   R96        2.07457   0.00000   0.00114  -0.00022   0.00092   2.07549
   R97        2.07375  -0.00003   0.00008  -0.00020  -0.00011   2.07364
   R98        2.07973   0.00012   0.00051   0.00006   0.00057   2.08030
   R99        2.06925   0.00000  -0.00017   0.00023   0.00006   2.06931
   R100       3.28092  -0.00020  -0.00051  -0.00156  -0.00206   3.27886
   R101       2.04078   0.00001   0.00172  -0.00036   0.00137   2.04214
    A1        1.93222   0.00000   0.00079   0.00046   0.00124   1.93347
    A2        1.94816   0.00004   0.00061   0.00003   0.00063   1.94879
    A3        1.96669  -0.00007  -0.00151  -0.00092  -0.00243   1.96426
    A4        1.87202  -0.00001  -0.00117   0.00006  -0.00112   1.87090
    A5        1.86035   0.00006   0.00168   0.00128   0.00297   1.86331
    A6        1.87955  -0.00002  -0.00036  -0.00084  -0.00120   1.87835
    A7        1.94747   0.00008   0.00029   0.00085   0.00113   1.94860
    A8        1.94989  -0.00018  -0.00223  -0.00250  -0.00473   1.94516
    A9        1.88939  -0.00002   0.00021  -0.00124  -0.00102   1.88837
   A10        1.90816   0.00011  -0.00015   0.00169   0.00152   1.90968
   A11        1.89093  -0.00006   0.00014  -0.00027  -0.00016   1.89077
   A12        1.87560   0.00007   0.00193   0.00152   0.00344   1.87904
   A13        1.95548   0.00008   0.00030   0.00082   0.00112   1.95660
   A14        1.94269  -0.00004  -0.00081  -0.00021  -0.00102   1.94167
   A15        1.93661   0.00001  -0.00031   0.00000  -0.00032   1.93630
   A16        1.87493  -0.00001   0.00065   0.00014   0.00078   1.87571
   A17        1.87626  -0.00008   0.00011  -0.00154  -0.00143   1.87483
   A18        1.87414   0.00003   0.00013   0.00074   0.00087   1.87501
   A19        2.20527  -0.00006   0.00060  -0.00115  -0.00055   2.20472
   A20        2.12185   0.00001  -0.00116   0.00058  -0.00058   2.12127
   A21        1.95587   0.00005   0.00054   0.00057   0.00110   1.95697
   A22        1.96081  -0.00003  -0.00038  -0.00039  -0.00077   1.96004
   A23        2.04235  -0.00013  -0.00035  -0.00107  -0.00144   2.04091
   A24        2.01265  -0.00010  -0.00031  -0.00084  -0.00113   2.01152
   A25        2.22812   0.00023   0.00062   0.00191   0.00251   2.23064
   A26        1.98363   0.00051   0.00929   0.00528   0.01456   1.99819
   A27        1.91716  -0.00010  -0.00264  -0.00022  -0.00288   1.91428
   A28        1.91799  -0.00003   0.00148  -0.00082   0.00069   1.91868
   A29        1.91704  -0.00019  -0.00279   0.00093  -0.00190   1.91514
   A30        1.88162  -0.00025  -0.00587  -0.00309  -0.00900   1.87262
   A31        1.84066   0.00003  -0.00016  -0.00272  -0.00292   1.83774
   A32        2.00366   0.00002  -0.01338  -0.00033  -0.01831   1.98536
   A33        2.13486  -0.00005  -0.01292   0.00166  -0.01587   2.11899
   A34        2.01960  -0.00006  -0.01240  -0.00087  -0.01805   2.00155
   A35        1.91134  -0.00025  -0.00475  -0.00279  -0.00756   1.90378
   A36        1.90990   0.00011  -0.00066   0.00273   0.00203   1.91193
   A37        1.96190   0.00013   0.00550   0.00128   0.00678   1.96868
   A38        1.89138  -0.00003  -0.00276  -0.00155  -0.00435   1.88703
   A39        1.89853   0.00011   0.00094   0.00147   0.00243   1.90097
   A40        1.88942  -0.00009   0.00160  -0.00123   0.00033   1.88975
   A41        2.11514   0.00024   0.00236   0.00176   0.00410   2.11924
   A42        2.05976  -0.00035  -0.00182  -0.00096  -0.00281   2.05696
   A43        2.10824   0.00011  -0.00057  -0.00081  -0.00140   2.10683
   A44        2.02138   0.00032  -0.00435   0.01018   0.00422   2.02560
   A45        2.05374   0.00006  -0.00690   0.01432   0.00545   2.05920
   A46        1.96202  -0.00015  -0.00276   0.00941   0.00486   1.96688
   A47        1.89733   0.00010   0.00112  -0.00340  -0.00229   1.89504
   A48        1.89658   0.00041  -0.00266   0.00497   0.00231   1.89889
   A49        1.89209  -0.00019   0.00018  -0.00279  -0.00260   1.88949
   A50        1.95209  -0.00051   0.00034   0.00033   0.00066   1.95275
   A51        1.92499   0.00009   0.00164   0.00027   0.00190   1.92689
   A52        1.89965   0.00010  -0.00064   0.00059  -0.00008   1.89957
   A53        2.12486   0.00032  -0.00004   0.00105   0.00093   2.12579
   A54        2.03380   0.00007   0.00067   0.00326   0.00385   2.03765
   A55        2.12359  -0.00037  -0.00043  -0.00360  -0.00410   2.11948
   A56        2.11588  -0.00091  -0.00323  -0.00449  -0.00803   2.10785
   A57        2.11923   0.00048   0.00005   0.00411   0.00384   2.12306
   A58        2.02996   0.00036  -0.00118   0.00380   0.00230   2.03226
   A59        1.90785   0.00056   0.00101  -0.00049   0.00052   1.90837
   A60        1.93232  -0.00084  -0.00495   0.00394  -0.00103   1.93129
   A61        1.88261  -0.00007  -0.00158  -0.00189  -0.00349   1.87912
   A62        1.94913   0.00035   0.00380  -0.00072   0.00307   1.95220
   A63        1.88470  -0.00013   0.00138   0.00000   0.00137   1.88607
   A64        1.90542   0.00013   0.00037  -0.00099  -0.00064   1.90478
   A65        1.98850  -0.00003   0.00036  -0.00029   0.00006   1.98857
   A66        1.89379  -0.00003   0.00072  -0.00049   0.00024   1.89403
   A67        1.90140  -0.00003  -0.00123  -0.00076  -0.00200   1.89940
   A68        1.91678   0.00002  -0.00079   0.00095   0.00017   1.91694
   A69        1.92872   0.00007   0.00074   0.00081   0.00152   1.93025
   A70        1.82739  -0.00001   0.00022  -0.00025  -0.00003   1.82736
   A71        2.09574  -0.00002  -0.00011   0.00004  -0.00008   2.09566
   A72        2.10232  -0.00001  -0.00039  -0.00014  -0.00053   2.10180
   A73        2.08510   0.00003   0.00051   0.00010   0.00060   2.08571
   A74        2.09718  -0.00002  -0.00036  -0.00016  -0.00052   2.09666
   A75        2.09525  -0.00001   0.00015  -0.00027  -0.00012   2.09512
   A76        2.09072   0.00003   0.00020   0.00042   0.00061   2.09132
   A77        2.09858   0.00003   0.00006   0.00021   0.00027   2.09885
   A78        2.09023   0.00001   0.00014   0.00026   0.00040   2.09063
   A79        2.09436  -0.00004  -0.00020  -0.00047  -0.00067   2.09369
   A80        2.08980  -0.00001   0.00007  -0.00009  -0.00003   2.08977
   A81        2.09640   0.00001   0.00013   0.00007   0.00020   2.09660
   A82        2.09698   0.00000  -0.00020   0.00002  -0.00018   2.09680
   A83        2.09909   0.00000   0.00003   0.00004   0.00007   2.09916
   A84        2.09239   0.00003   0.00015   0.00041   0.00056   2.09295
   A85        2.09171  -0.00003  -0.00018  -0.00045  -0.00063   2.09108
   A86        2.09659  -0.00003  -0.00030  -0.00011  -0.00041   2.09618
   A87        2.09727   0.00000  -0.00006  -0.00003  -0.00009   2.09718
   A88        2.08931   0.00003   0.00036   0.00014   0.00050   2.08981
   A89        1.96042  -0.00152  -0.00509  -0.00059  -0.00573   1.95469
   A90        1.92407   0.00057  -0.00020   0.00317   0.00290   1.92697
   A91        1.90209   0.00042   0.00503  -0.00139   0.00361   1.90571
   A92        1.90252   0.00009  -0.00435  -0.00046  -0.00481   1.89770
   A93        1.92513   0.00084   0.00850   0.00100   0.00950   1.93462
   A94        1.84623  -0.00030  -0.00363  -0.00177  -0.00537   1.84086
   A95        1.85152  -0.00057  -0.00453  -0.00107  -0.00555   1.84597
   A96        1.95771   0.00154   0.00449   0.00932   0.01378   1.97149
   A97        1.95807  -0.00029   0.00354  -0.00056   0.00293   1.96101
   A98        1.83463  -0.00056  -0.00091  -0.00712  -0.00801   1.82663
   A99        1.92083   0.00034  -0.00182  -0.00006  -0.00193   1.91891
   A100       1.93494  -0.00049  -0.00129  -0.00107  -0.00247   1.93247
   A101       1.92858  -0.00002   0.00107   0.00117   0.00224   1.93082
   A102       1.94285   0.00065  -0.00026   0.00582   0.00560   1.94845
   A103       1.90379  -0.00154  -0.00562  -0.00659  -0.01221   1.89158
   A104       1.89111   0.00028   0.00186   0.00025   0.00208   1.89319
   A105       1.94116   0.00075   0.00300   0.00120   0.00420   1.94537
   A106       1.92431  -0.00037   0.00065   0.00001   0.00062   1.92493
   A107       1.85801   0.00018   0.00042  -0.00111  -0.00078   1.85723
   A108       1.94913   0.00001   0.00039  -0.00050  -0.00012   1.94902
   A109       1.91368  -0.00003  -0.00011  -0.00024  -0.00035   1.91332
   A110       1.91228  -0.00002   0.00027  -0.00085  -0.00059   1.91169
   A111       1.93518   0.00007   0.00072   0.00181   0.00253   1.93771
   A112       1.92266   0.00000   0.00023  -0.00001   0.00022   1.92288
   A113       1.82704  -0.00003  -0.00161  -0.00021  -0.00182   1.82522
   A114       2.09776   0.00002  -0.00042   0.00022  -0.00020   2.09756
   A115       2.09737  -0.00005   0.00003  -0.00048  -0.00046   2.09692
   A116       2.08805   0.00003   0.00040   0.00026   0.00066   2.08870
   A117       2.09539  -0.00004  -0.00032  -0.00028  -0.00060   2.09478
   A118       2.09450   0.00006   0.00009   0.00060   0.00069   2.09518
   A119       2.09330  -0.00002   0.00023  -0.00031  -0.00009   2.09322
   A120       2.09849   0.00002   0.00010   0.00019   0.00029   2.09878
   A121       2.09161  -0.00005  -0.00016  -0.00073  -0.00089   2.09072
   A122       2.09309   0.00003   0.00006   0.00054   0.00060   2.09369
   A123       2.09080  -0.00001   0.00003  -0.00011  -0.00008   2.09072
   A124       2.09567   0.00005   0.00013   0.00069   0.00082   2.09649
   A125       2.09671  -0.00004  -0.00016  -0.00058  -0.00074   2.09598
   A126       2.09846   0.00002   0.00006   0.00012   0.00019   2.09865
   A127       2.09351  -0.00004  -0.00025  -0.00047  -0.00073   2.09278
   A128       2.09122   0.00002   0.00019   0.00035   0.00054   2.09175
   A129       2.09519  -0.00002  -0.00028  -0.00018  -0.00045   2.09474
   A130       2.09726   0.00003   0.00039   0.00025   0.00064   2.09790
   A131       2.09073  -0.00001  -0.00012  -0.00007  -0.00019   2.09054
   A132       2.12422  -0.00033  -0.00154   0.00167  -0.00004   2.12418
   A133       2.05572   0.00022   0.00032   0.00183   0.00198   2.05770
   A134       2.09355   0.00015   0.00111   0.00038   0.00131   2.09486
   A135       2.25238   0.00015   0.00113   0.00113   0.00106   2.25344
   A136       1.88699  -0.00027  -0.00071  -0.00165  -0.00356   1.88343
   A137       2.14313   0.00016   0.00208   0.00212   0.00299   2.14613
   A138       2.02077  -0.00105  -0.00192   0.00010  -0.00182   2.01895
   A139       1.91265  -0.00115  -0.00277  -0.00141  -0.00420   1.90845
   A140       1.76942   0.00023   0.00025  -0.00145  -0.00122   1.76820
   A141       1.90492   0.00043   0.00064   0.00080   0.00141   1.90633
   A142       1.96436   0.00048   0.00273  -0.00041   0.00229   1.96665
   A143       1.97027   0.00006  -0.00012   0.00134   0.00120   1.97147
   A144       1.93109  -0.00004  -0.00066   0.00085   0.00014   1.93123
   A145       2.26498  -0.00040  -0.00109  -0.00235  -0.00345   2.26153
   A146       2.10605   0.00043   0.00089   0.00298   0.00386   2.10992
   A147       1.91213  -0.00003   0.00024  -0.00064  -0.00041   1.91172
   A148       2.01366   0.00003  -0.00031   0.00033   0.00002   2.01368
   A149       2.20927  -0.00004  -0.00091  -0.00031  -0.00123   2.20804
   A150       2.06023   0.00000   0.00123   0.00001   0.00123   2.06146
   A151       1.95844  -0.00013  -0.00036  -0.00078  -0.00113   1.95731
   A152       1.96723   0.00007   0.00043   0.00033   0.00076   1.96799
   A153       2.20147  -0.00017  -0.00107  -0.00247  -0.00354   2.19793
   A154       2.11449   0.00010   0.00064   0.00214   0.00278   2.11726
   A155       1.57328   0.00006   0.00000   0.00075   0.00075   1.57403
   A156       1.97411   0.00019   0.00036  -0.00294  -0.00259   1.97152
   A157       1.91383  -0.00022  -0.00175   0.00115  -0.00063   1.91320
   A158       1.85246   0.00002  -0.00039   0.00108   0.00073   1.85319
   A159       1.95268  -0.00001   0.00103   0.00056   0.00147   1.95416
   A160       1.88171  -0.00002   0.00010   0.00433   0.00443   1.88614
   A161       1.88387   0.00003   0.00081  -0.00422  -0.00345   1.88042
   A162       1.97800   0.00027  -0.00025  -0.00053  -0.00080   1.97719
   A163       1.96137   0.00020   0.00068  -0.00083  -0.00018   1.96119
   A164       1.94141   0.00011  -0.00054   0.00268   0.00214   1.94354
   A165       1.87687  -0.00032   0.00376  -0.00492  -0.00121   1.87566
   A166       1.85093  -0.00019  -0.00239   0.00082  -0.00157   1.84936
   A167       1.84696  -0.00014  -0.00129   0.00292   0.00162   1.84858
   A168       1.93134   0.00006   0.00072   0.00078   0.00150   1.93284
   A169       1.96384   0.00008   0.00184   0.00216   0.00398   1.96783
   A170       1.95826  -0.00008  -0.00131  -0.00106  -0.00238   1.95587
   A171       1.86091  -0.00008  -0.00112  -0.00146  -0.00258   1.85833
   A172       1.86259   0.00003  -0.00132   0.00061  -0.00071   1.86188
   A173       1.88131  -0.00001   0.00108  -0.00115  -0.00009   1.88122
   A174       1.91502   0.00003   0.00048   0.00039   0.00085   1.91587
   A175       2.24202  -0.00012  -0.00260  -0.00160  -0.00426   2.23776
   A176       2.12613   0.00009   0.00223   0.00124   0.00341   2.12954
   A177       1.58042   0.00005  -0.00033   0.00026  -0.00005   1.58037
    D1        1.03758   0.00009   0.04609   0.01309   0.05919   1.09677
    D2       -3.10349   0.00016   0.04446   0.01409   0.05855  -3.04494
    D3       -1.04165   0.00012   0.04565   0.01371   0.05935  -0.98230
    D4        3.12164   0.00010   0.04552   0.01349   0.05902  -3.10253
    D5       -1.01943   0.00017   0.04389   0.01449   0.05838  -0.96105
    D6        1.04241   0.00013   0.04508   0.01411   0.05919   1.10159
    D7       -1.04397   0.00005   0.04441   0.01176   0.05617  -0.98779
    D8        1.09814   0.00012   0.04278   0.01276   0.05554   1.15368
    D9       -3.12320   0.00009   0.04397   0.01238   0.05634  -3.06686
   D10        0.99393   0.00001   0.05571   0.01012   0.06584   1.05977
   D11        3.09376   0.00003   0.05618   0.01072   0.06690  -3.12253
   D12       -1.10337   0.00006   0.05559   0.01152   0.06711  -1.03626
   D13       -1.17186   0.00011   0.05849   0.01152   0.07001  -1.10185
   D14        0.92796   0.00013   0.05897   0.01211   0.07108   0.99904
   D15        3.01402   0.00015   0.05837   0.01292   0.07129   3.08531
   D16        3.07225  -0.00001   0.05623   0.00893   0.06516   3.13741
   D17       -1.11111   0.00001   0.05670   0.00953   0.06623  -1.04488
   D18        0.97495   0.00004   0.05611   0.01033   0.06644   1.04139
   D19        2.50461  -0.00021  -0.05591  -0.04062  -0.09653   2.40808
   D20       -0.66005  -0.00022  -0.05760  -0.04034  -0.09795  -0.75800
   D21       -1.61420  -0.00015  -0.05722  -0.04005  -0.09727  -1.71147
   D22        1.50433  -0.00016  -0.05892  -0.03977  -0.09869   1.40564
   D23        0.43455  -0.00012  -0.05610  -0.03862  -0.09471   0.33984
   D24       -2.73011  -0.00013  -0.05780  -0.03834  -0.09613  -2.82624
   D25        3.12200  -0.00001  -0.00081   0.00033  -0.00048   3.12152
   D26        0.00161   0.00001   0.00077   0.00008   0.00085   0.00246
   D27       -3.12401   0.00000   0.00039  -0.00091  -0.00052  -3.12452
   D28       -0.00246  -0.00001  -0.00108  -0.00070  -0.00177  -0.00423
   D29        3.13078   0.00001  -0.00462   0.00136  -0.00323   3.12755
   D30        0.00043   0.00001   0.00006   0.00083   0.00090   0.00132
   D31        2.16494   0.00001   0.08927  -0.01488   0.07440   2.23934
   D32       -1.96273   0.00005   0.09031  -0.01002   0.08029  -1.88244
   D33        0.05480   0.00001   0.08944  -0.01391   0.07551   0.13031
   D34       -0.98949   0.00001   0.08392  -0.01430   0.06965  -0.91984
   D35        1.16603   0.00005   0.08496  -0.00944   0.07553   1.24157
   D36       -3.09963   0.00001   0.08410  -0.01332   0.07076  -3.02887
   D37       -0.00228  -0.00002  -0.00088  -0.00133  -0.00221  -0.00448
   D38       -3.13696  -0.00005  -0.00901  -0.00572  -0.01469   3.13153
   D39       -3.13122  -0.00001   0.00439  -0.00191   0.00248  -3.12874
   D40        0.01728  -0.00005  -0.00374  -0.00629  -0.01000   0.00728
   D41       -1.22770   0.00004   0.04798  -0.00692   0.04068  -1.18701
   D42        1.37432  -0.00016  -0.05191  -0.00634  -0.05782   1.31650
   D43        2.89991  -0.00004   0.04686  -0.01115   0.03532   2.93523
   D44       -0.78126  -0.00024  -0.05303  -0.01057  -0.06318  -0.84444
   D45        0.90272   0.00016   0.05174  -0.00674   0.04456   0.94728
   D46       -2.77845  -0.00004  -0.04814  -0.00615  -0.05395  -2.83240
   D47       -0.93015  -0.00031  -0.09823  -0.02892  -0.12681  -1.05696
   D48       -3.00103  -0.00020  -0.09156  -0.02700  -0.11825  -3.11928
   D49        1.18226  -0.00025  -0.09666  -0.02815  -0.12452   1.05775
   D50        2.71428  -0.00012  -0.00533  -0.03027  -0.03588   2.67840
   D51        0.64340  -0.00001   0.00134  -0.02835  -0.02732   0.61607
   D52       -1.45649  -0.00006  -0.00376  -0.02949  -0.03359  -1.49008
   D53       -2.94412   0.00029   0.06056   0.01982   0.08004  -2.86408
   D54        0.20763   0.00025   0.06816   0.02119   0.08904   0.29667
   D55       -0.34663   0.00011  -0.04025   0.02057  -0.01937  -0.36600
   D56        2.80511   0.00007  -0.03265   0.02194  -0.01037   2.79474
   D57        2.79073   0.00011   0.00545   0.01081   0.01647   2.80720
   D58        0.39871  -0.00012   0.03219  -0.03657  -0.00456   0.39414
   D59       -0.34075   0.00007   0.01303   0.01215   0.02536  -0.31538
   D60       -2.73277  -0.00016   0.03977  -0.03523   0.00433  -2.72844
   D61       -1.67633  -0.00024   0.00813  -0.01114  -0.00330  -1.67963
   D62        2.47853   0.00007   0.00865  -0.01250  -0.00412   2.47441
   D63        0.41651  -0.00018   0.01088  -0.01441  -0.00385   0.41266
   D64        0.75410   0.00006  -0.01922   0.03584   0.01690   0.77100
   D65       -1.37423   0.00037  -0.01871   0.03449   0.01609  -1.35814
   D66        2.84693   0.00012  -0.01648   0.03257   0.01636   2.86329
   D67       -0.49378  -0.00047  -0.01660   0.00284  -0.01375  -0.50753
   D68        2.60217   0.00014  -0.01233   0.02011   0.00780   2.60997
   D69        1.60041  -0.00021  -0.01895   0.00698  -0.01198   1.58843
   D70       -1.58683   0.00041  -0.01468   0.02425   0.00957  -1.57726
   D71       -2.56604  -0.00035  -0.01844   0.00814  -0.01031  -2.57635
   D72        0.52991   0.00026  -0.01417   0.02541   0.01124   0.54115
   D73        1.24736  -0.00017  -0.00708  -0.02109  -0.02818   1.21918
   D74       -2.84305  -0.00022  -0.00706  -0.02165  -0.02866  -2.87171
   D75       -0.81242  -0.00027  -0.00719  -0.02543  -0.03262  -0.84504
   D76       -0.84726  -0.00025  -0.00690  -0.02033  -0.02727  -0.87453
   D77        1.34551  -0.00030  -0.00688  -0.02089  -0.02774   1.31777
   D78       -2.90705  -0.00035  -0.00701  -0.02468  -0.03170  -2.93875
   D79       -2.97859  -0.00011  -0.00871  -0.02129  -0.03004  -3.00863
   D80       -0.78582  -0.00015  -0.00869  -0.02184  -0.03051  -0.81633
   D81        1.24481  -0.00021  -0.00882  -0.02563  -0.03447   1.21033
   D82        3.12552  -0.00106  -0.03768  -0.00366  -0.04130   3.08422
   D83        0.19485  -0.00069  -0.00717  -0.02378  -0.03097   0.16388
   D84       -0.06168  -0.00043  -0.03344   0.01372  -0.01970  -0.08137
   D85       -2.99235  -0.00006  -0.00293  -0.00639  -0.00936  -3.00171
   D86        2.18985   0.00028   0.03660   0.01660   0.05320   2.24305
   D87       -1.93902   0.00054   0.03873   0.01801   0.05674  -1.88229
   D88        0.14476   0.00017   0.03530   0.01793   0.05323   0.19799
   D89       -1.15238  -0.00004   0.00781   0.03584   0.04364  -1.10874
   D90        1.00192   0.00022   0.00994   0.03724   0.04718   1.04911
   D91        3.08571  -0.00015   0.00651   0.03717   0.04368   3.12939
   D92        1.11207  -0.00024   0.02963  -0.01688   0.01275   1.12482
   D93       -1.02894  -0.00022   0.02985  -0.01755   0.01231  -1.01662
   D94       -3.00888  -0.00019   0.02985  -0.01661   0.01325  -2.99563
   D95       -1.03225   0.00020   0.03268  -0.02107   0.01161  -1.02064
   D96        3.10993   0.00022   0.03290  -0.02173   0.01118   3.12110
   D97        1.12998   0.00025   0.03290  -0.02079   0.01211   1.14210
   D98       -3.12734  -0.00009   0.02906  -0.01940   0.00964  -3.11770
   D99        1.01484  -0.00007   0.02928  -0.02007   0.00921   1.02405
   D100      -0.96511  -0.00004   0.02927  -0.01913   0.01015  -0.95496
   D101       1.21132  -0.00079   0.01579  -0.01129   0.00449   1.21581
   D102      -0.91413  -0.00026   0.02507  -0.01255   0.01252  -0.90160
   D103      -2.93315  -0.00045   0.02666  -0.01139   0.01528  -2.91787
   D104      -2.94156  -0.00042   0.01621  -0.00963   0.00657  -2.93499
   D105       1.21618   0.00011   0.02549  -0.01089   0.01460   1.23079
   D106      -0.80284  -0.00008   0.02709  -0.00973   0.01736  -0.78548
   D107      -0.85868  -0.00028   0.02052  -0.01073   0.00978  -0.84891
   D108      -2.98413   0.00025   0.02980  -0.01199   0.01781  -2.96632
   D109       1.28004   0.00006   0.03139  -0.01083   0.02056   1.30060
   D110      -1.54152   0.00002   0.01157  -0.00358   0.00799  -1.53353
   D111       1.60556   0.00002   0.01279  -0.00354   0.00925   1.61481
   D112       0.58685  -0.00003   0.01218  -0.00371   0.00847   0.59532
   D113      -2.54926  -0.00002   0.01340  -0.00367   0.00973  -2.53953
   D114       2.59425   0.00002   0.01240  -0.00300   0.00941   2.60366
   D115      -0.54186   0.00003   0.01362  -0.00296   0.01066  -0.53120
   D116       3.14036  -0.00001   0.00019  -0.00095  -0.00075   3.13961
   D117      -0.01097  -0.00002  -0.00179  -0.00217  -0.00397  -0.01494
   D118      -0.00666  -0.00002  -0.00101  -0.00099  -0.00200  -0.00866
   D119       3.12519  -0.00003  -0.00300  -0.00221  -0.00521   3.11998
   D120      -3.14056   0.00000  -0.00032   0.00084   0.00052  -3.14004
   D121       0.00837   0.00001  -0.00065   0.00081   0.00015   0.00852
   D122       0.00649   0.00001   0.00089   0.00087   0.00177   0.00826
   D123      -3.12778   0.00002   0.00056   0.00084   0.00140  -3.12637
   D124       0.00143   0.00001   0.00043   0.00046   0.00089   0.00232
   D125       3.13914   0.00001   0.00007   0.00044   0.00050   3.13964
   D126      -3.13044   0.00002   0.00242   0.00168   0.00410  -3.12634
   D127       0.00726   0.00002   0.00205   0.00166   0.00372   0.01098
   D128       0.00400   0.00000   0.00026   0.00019   0.00046   0.00446
   D129       3.14080   0.00000  -0.00033   0.00038   0.00005   3.14086
   D130      -3.13370   0.00000   0.00063   0.00021   0.00084  -3.13286
   D131       0.00311   0.00000   0.00004   0.00040   0.00044   0.00354
   D132      -0.00417  -0.00001  -0.00038  -0.00031  -0.00069  -0.00486
   D133       3.13460  -0.00001  -0.00052   0.00001  -0.00052   3.13409
   D134      -3.14097   0.00000   0.00021  -0.00050  -0.00028  -3.14126
   D135      -0.00220   0.00000   0.00007  -0.00018  -0.00011  -0.00231
   D136      -0.00109   0.00000  -0.00020  -0.00023  -0.00043  -0.00152
   D137       3.13321  -0.00001   0.00013  -0.00020  -0.00007   3.13314
   D138      -3.13987   0.00000  -0.00006  -0.00055  -0.00060  -3.14047
   D139      -0.00557  -0.00001   0.00028  -0.00052  -0.00024  -0.00581
   D140      -1.49717  -0.00005  -0.06259  -0.01422  -0.07683  -1.57400
   D141       2.79215   0.00017  -0.06115  -0.00979  -0.07092   2.72123
   D142       0.60076  -0.00017  -0.06571  -0.01530  -0.08106   0.51970
   D143       0.64051  -0.00028  -0.06944  -0.01091  -0.08032   0.56019
   D144      -1.35335  -0.00006  -0.06800  -0.00648  -0.07441  -1.42776
   D145       2.73843  -0.00040  -0.07256  -0.01199  -0.08455   2.65388
   D146       2.66037  -0.00013  -0.07151  -0.01275  -0.08427   2.57610
   D147       0.66651   0.00009  -0.07006  -0.00832  -0.07836   0.58814
   D148      -1.52489  -0.00025  -0.07463  -0.01383  -0.08850  -1.61339
   D149       2.24014  -0.00048  -0.01617   0.01409  -0.00208   2.23807
   D150      -1.96626   0.00074  -0.01361   0.02082   0.00723  -1.95903
   D151       0.11817   0.00003  -0.01662   0.01545  -0.00119   0.11698
   D152      -1.06520  -0.00018   0.02148  -0.00404   0.01743  -1.04777
   D153       3.06950  -0.00050   0.02174  -0.00489   0.01686   3.08636
   D154       1.05361  -0.00005   0.02334  -0.00020   0.02313   1.07674
   D155      -3.06938   0.00007   0.02517  -0.00321   0.02198  -3.04740
   D156       1.06531  -0.00025   0.02543  -0.00406   0.02141   1.08672
   D157      -0.95058   0.00020   0.02703   0.00062   0.02768  -0.92290
   D158       1.13880   0.00024   0.02860   0.00158   0.03015   1.16895
   D159      -1.00969  -0.00008   0.02886   0.00073   0.02958  -0.98011
   D160      -3.02558   0.00037   0.03046   0.00542   0.03585  -2.98973
   D161       2.99996   0.00044  -0.01622   0.00062  -0.01560   2.98436
   D162      -1.13116   0.00052  -0.01511   0.00242  -0.01270  -1.14385
   D163       0.86481   0.00045  -0.01695   0.00157  -0.01539   0.84942
   D164      -1.15628  -0.00055  -0.02148  -0.00290  -0.02439  -1.18067
   D165       0.99578  -0.00047  -0.02038  -0.00110  -0.02149   0.97430
   D166       2.99175  -0.00053  -0.02222  -0.00196  -0.02418   2.96757
   D167       0.90063  -0.00009  -0.01882  -0.00352  -0.02233   0.87830
   D168       3.05270  -0.00002  -0.01771  -0.00172  -0.01943   3.03327
   D169      -1.23452  -0.00008  -0.01955  -0.00258  -0.02212  -1.25665
   D170       1.15675   0.00011   0.01067  -0.00083   0.00982   1.16657
   D171      -2.13414   0.00038   0.00843   0.02888   0.03728  -2.09685
   D172      -0.99275  -0.00015   0.01282  -0.00444   0.00839  -0.98435
   D173       1.99956   0.00011   0.01057   0.02526   0.03586   2.03541
   D174      -3.08937  -0.00024   0.01019  -0.00445   0.00574  -3.08363
   D175      -0.09707   0.00003   0.00794   0.02526   0.03320  -0.06387
   D176       1.74507   0.00005   0.01343   0.00304   0.01647   1.76154
   D177      -1.39352   0.00004   0.01345   0.00264   0.01609  -1.37742
   D178      -0.39476   0.00003   0.01279   0.00241   0.01519  -0.37957
   D179       2.74984   0.00003   0.01281   0.00201   0.01482   2.76466
   D180      -2.40893   0.00002   0.01419   0.00160   0.01579  -2.39314
   D181       0.73567   0.00002   0.01421   0.00121   0.01542   0.75109
   D182      -3.13952  -0.00001   0.00010  -0.00049  -0.00039  -3.13990
   D183       0.00395   0.00000   0.00008  -0.00059  -0.00051   0.00345
   D184      -0.00091   0.00000   0.00008  -0.00009  -0.00002  -0.00093
   D185      -3.14063   0.00001   0.00006  -0.00020  -0.00014  -3.14077
   D186       3.13944   0.00000  -0.00020   0.00050   0.00030   3.13974
   D187      -0.00484   0.00001  -0.00027   0.00070   0.00043  -0.00441
   D188       0.00084   0.00000  -0.00017   0.00011  -0.00007   0.00077
   D189       3.13974   0.00000  -0.00025   0.00031   0.00006   3.13981
   D190       0.00081   0.00000   0.00006   0.00000   0.00007   0.00087
   D191      -3.14025   0.00000   0.00004  -0.00006  -0.00002  -3.14027
   D192       3.14052   0.00000   0.00008   0.00011   0.00019   3.14071
   D193      -0.00054   0.00000   0.00006   0.00004   0.00010  -0.00044
   D194      -0.00062   0.00000  -0.00011   0.00007  -0.00003  -0.00065
   D195      -3.14074   0.00000  -0.00012  -0.00005  -0.00017  -3.14090
   D196       3.14044   0.00000  -0.00008   0.00014   0.00006   3.14050
   D197       0.00032   0.00000  -0.00009   0.00001  -0.00008   0.00024
   D198       0.00054   0.00000   0.00001  -0.00006  -0.00005   0.00049
   D199      -3.13999   0.00000  -0.00007  -0.00003  -0.00010  -3.14009
   D200       3.14066   0.00000   0.00002   0.00007   0.00008   3.14074
   D201       0.00013   0.00000  -0.00006   0.00010   0.00003   0.00017
   D202      -0.00065   0.00000   0.00013  -0.00003   0.00010  -0.00055
   D203      -3.13957   0.00000   0.00020  -0.00023  -0.00003  -3.13960
   D204       3.13988   0.00000   0.00021  -0.00006   0.00015   3.14003
   D205       0.00096   0.00000   0.00028  -0.00026   0.00002   0.00098
   D206      -0.09469   0.00094  -0.00313   0.05126   0.04810  -0.04659
   D207       3.08631  -0.00021  -0.01687   0.00490  -0.01192   3.07439
   D208      -3.08382   0.00066  -0.00074   0.02080   0.02001  -3.06381
   D209       0.09718  -0.00048  -0.01448  -0.02556  -0.04001   0.05717
   D210       2.86086   0.00060   0.03231   0.03053   0.06290   2.92376
   D211      -0.24432  -0.00046   0.01977  -0.01228   0.00743  -0.23689
   D212      -1.52441   0.00055  -0.00389   0.01941   0.01555  -1.50887
   D213       2.67954   0.00038  -0.00591   0.02125   0.01534   2.69488
   D214       0.64138   0.00015  -0.00544   0.02068   0.01522   0.65659
   D215      -0.25840  -0.00004  -0.03070  -0.01109  -0.04178  -0.30018
   D216       2.87505  -0.00011  -0.02776  -0.01332  -0.04107   2.83399
   D217       1.69627  -0.00018  -0.03055  -0.01392  -0.04448   1.65179
   D218      -1.45345  -0.00025  -0.02762  -0.01614  -0.04377  -1.49723
   D219      -2.38549   0.00020  -0.02939  -0.01201  -0.04140  -2.42689
   D220       0.74796   0.00013  -0.02645  -0.01423  -0.04069   0.70728
   D221       3.13235  -0.00010   0.00140  -0.00074   0.00066   3.13301
   D222      -0.01621   0.00003   0.00281   0.00420   0.00701  -0.00920
   D223      -0.00181  -0.00004  -0.00127   0.00127  -0.00001  -0.00182
   D224       3.13281   0.00010   0.00014   0.00622   0.00635   3.13916
   D225      -3.13702   0.00008  -0.00174   0.00040  -0.00134  -3.13836
   D226      -0.00206   0.00002   0.00065  -0.00142  -0.00078  -0.00284
   D227       0.00638   0.00005   0.00142  -0.00028   0.00114   0.00752
   D228      -3.12888  -0.00007   0.00014  -0.00477  -0.00464  -3.13352
   D229      -0.00778  -0.00004  -0.00086  -0.00087  -0.00172  -0.00950
   D230       3.13634  -0.00002  -0.00070   0.00032  -0.00039   3.13596
   D231       0.00582   0.00001   0.00013   0.00135   0.00148   0.00730
   D232      -3.13816   0.00000  -0.00002   0.00022   0.00020  -3.13796
   D233       0.17950  -0.00007   0.00950  -0.00452   0.00497   0.18446
   D234       2.31179  -0.00013   0.01470  -0.01209   0.00262   2.31441
   D235      -1.90412  -0.00010   0.01313  -0.00712   0.00602  -1.89810
   D236      -1.99226   0.00008   0.01087  -0.00421   0.00666  -1.98560
   D237       0.14004   0.00002   0.01607  -0.01178   0.00432   0.14435
   D238       2.20731   0.00006   0.01450  -0.00681   0.00771   2.21503
   D239       2.22215   0.00005   0.00936  -0.00210   0.00722   2.22936
   D240      -1.92874   0.00000   0.01456  -0.00967   0.00487  -1.92387
   D241       0.13854   0.00003   0.01300  -0.00470   0.00827   0.14680
   D242       2.97816   0.00007   0.04825   0.01205   0.06031   3.03847
   D243      -1.22526   0.00006   0.04854   0.01216   0.06071  -1.16455
   D244       0.89996   0.00004   0.05030   0.01145   0.06176   0.96172
   D245      -1.10003   0.00014   0.04805   0.00950   0.05754  -1.04249
   D246       0.97973   0.00013   0.04833   0.00961   0.05793   1.03767
   D247       3.10495   0.00011   0.05009   0.00890   0.05899  -3.11924
   D248       0.96747   0.00014   0.04920   0.01247   0.06166   1.02912
   D249       3.04723   0.00013   0.04948   0.01258   0.06205   3.10928
   D250      -1.11073   0.00011   0.05124   0.01187   0.06311  -1.04763
   D251       0.00258   0.00002   0.00106   0.00112   0.00218   0.00476
   D252       3.13781   0.00005   0.00850   0.00515   0.01371  -3.13167
         Item               Value     Threshold  Converged?
 Maximum Force            0.001545     0.000450     NO 
 RMS     Force            0.000275     0.000300     YES
 Maximum Displacement     0.916298     0.001800     NO 
 RMS     Displacement     0.177812     0.001200     NO 
 Predicted change in Energy=-5.538821D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.378818   -2.595653    0.507435
      2          6           0       -9.207368   -1.390548   -0.419751
      3          6           0      -10.278897   -0.323812   -0.164844
      4          6           0       -7.850134   -0.777031   -0.274498
      5          7           0       -7.083530   -0.346552   -1.248513
      6          6           0       -5.865730    0.205496   -0.771748
      7          6           0       -4.898522    0.714926   -1.804152
      8          7           0       -4.423620    2.101340   -1.570968
      9          6           0       -5.482815    3.134436   -1.739180
     10          6           0       -3.461171    2.395854   -0.566687
     11          8           0       -3.277956    3.541543   -0.174165
     12          7           0       -2.691800    1.313123   -0.041722
     13          6           0       -1.431767    1.683786    0.650462
     14          6           0       -0.265521    1.554745   -0.349828
     15          8           0       -0.295020    0.752997   -1.276150
     16          7           0        0.810116    2.412349   -0.168977
     17          6           0        2.014451    2.316252   -1.037010
     18          6           0        2.342886    3.712916   -1.613657
     19          6           0        2.732095    4.725942   -0.573691
     20          6           0        1.744918    5.492396    0.065980
     21          6           0        2.105073    6.432485    1.034317
     22          6           0        3.449872    6.618046    1.370484
     23          6           0        4.435674    5.861908    0.729231
     24          6           0        4.081498    4.919491   -0.240061
     25          6           0        3.203792    1.724435   -0.253682
     26          6           0        2.997077    0.239817    0.069159
     27          8           0        2.333417    0.205876    1.348035
     28          6           0        4.337797   -0.525584    0.299472
     29          6           0        5.244727   -0.470981   -0.945963
     30          6           0        6.615356   -1.014489   -0.658352
     31          6           0        6.955246   -2.316610   -1.054805
     32          6           0        8.230575   -2.819571   -0.783760
     33          6           0        9.172105   -2.029904   -0.116608
     34          6           0        8.834574   -0.731709    0.279455
     35          6           0        7.561310   -0.222804    0.011341
     36          7           0        4.017980   -1.928424    0.678991
     37          6           0        3.426979   -2.803717   -0.209881
     38          8           0        3.048224   -2.602443   -1.345800
     39          8           0        3.339234   -4.054927    0.411890
     40          6           0        2.493523   -5.033958   -0.256815
     41          6           0        1.094719   -4.862465    0.193735
     42          6           0        0.606237   -4.204469    1.289611
     43          7           0       -0.798271   -4.219479    1.427825
     44          6           0       -1.382362   -4.884179    0.462104
     45         16           0       -0.227755   -5.538996   -0.717034
     46          6           0       -1.244088    0.751882    1.884454
     47          6           0       -0.920633   -0.695669    1.496959
     48          6           0       -0.186806    1.344162    2.819726
     49          6           0       -5.710616    0.189619    0.584804
     50         16           0       -7.108357   -0.521640    1.327092
     51          1           0      -10.337929   -3.095658    0.322647
     52          1           0       -8.589246   -3.341267    0.352464
     53          1           0       -9.367366   -2.315437    1.567640
     54          1           0       -9.309018   -1.748058   -1.484275
     55          1           0      -10.238239    0.065272    0.859201
     56          1           0      -10.161525    0.528711   -0.846169
     57          1           0      -11.283698   -0.732795   -0.320793
     58          1           0       -4.023715    0.023264   -1.873934
     59          1           0       -5.375527    0.692119   -2.819297
     60          1           0       -5.865560    3.093032   -2.771502
     61          1           0       -5.049352    4.140200   -1.572538
     62          1           0       -6.324280    3.000810   -1.040606
     63          1           0       -2.593546    0.463874   -0.619837
     64          1           0       -1.526029    2.750547    1.009988
     65          1           0        0.895770    2.993903    0.662568
     66          1           0        1.761713    1.631833   -1.899390
     67          1           0        1.458314    4.077235   -2.183512
     68          1           0        3.143067    3.607082   -2.373679
     69          1           0        0.695815    5.363586   -0.200861
     70          1           0        1.334574    7.025481    1.525840
     71          1           0        3.728032    7.351182    2.124365
     72          1           0        5.484234    6.008941    0.983655
     73          1           0        4.855820    4.341832   -0.738929
     74          1           0        3.355741    2.279250    0.698436
     75          1           0        4.135779    1.875730   -0.836433
     76          1           0        2.373828   -0.277875   -0.696567
     77          1           0        1.525303   -0.355281    1.304763
     78          1           0        4.860998   -0.069232    1.182708
     79          1           0        4.762330   -1.025450   -1.785407
     80          1           0        5.316382    0.578415   -1.308152
     81          1           0        6.226239   -2.935854   -1.575460
     82          1           0        8.490800   -3.830528   -1.094341
     83          1           0       10.164456   -2.423346    0.092722
     84          1           0        9.566764   -0.114579    0.797876
     85          1           0        7.307572    0.788183    0.321018
     86          1           0        4.345152   -2.263678    1.582455
     87          1           0        2.943640   -5.987894    0.095546
     88          1           0        2.610740   -4.928027   -1.357642
     89          1           0        1.189293   -3.684773    2.044451
     90          1           0       -2.448670   -5.039832    0.352021
     91          1           0       -2.225087    0.755206    2.431220
     92          1           0       -0.689354   -0.818317    0.429902
     93          1           0       -0.075122   -1.100990    2.065753
     94          1           0       -1.768529   -1.363314    1.700887
     95          1           0       -0.114460    0.758570    3.744909
     96          1           0        0.819983    1.350159    2.374527
     97          1           0       -0.427874    2.370563    3.115496
     98          1           0       -4.871161    0.543879    1.165864
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0652987      0.0280633      0.0209211
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3534.0591473581 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.244000650405     A.U. after   20 cycles
             Convg  =    0.5556D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000108505    0.000189541    0.000250472
      2        6           0.000194466    0.000001330    0.000015805
      3        6          -0.000112015    0.000108102   -0.000013847
      4        6          -0.000024715    0.000110334   -0.000169659
      5        7          -0.000163471    0.000050045   -0.000031037
      6        6          -0.000201049   -0.000247723    0.000128817
      7        6          -0.000524603    0.000033797   -0.000368360
      8        7           0.001662499    0.000347961    0.001140931
      9        6          -0.000355654   -0.000043861   -0.000812622
     10        6          -0.001705920    0.000269721    0.001321456
     11        8           0.000496533   -0.000348435   -0.000186197
     12        7           0.000370483    0.001033216   -0.001594325
     13        6           0.000075916   -0.000129337   -0.000092905
     14        6          -0.000480345   -0.001292667    0.000873967
     15        8          -0.000156150    0.000679046   -0.000088499
     16        7          -0.000170794    0.000515115    0.000481290
     17        6           0.000403078   -0.000251798   -0.000012753
     18        6           0.000155069   -0.000094186    0.000119640
     19        6           0.000010033    0.000126967   -0.000124753
     20        6           0.000087241   -0.000052212   -0.000112825
     21        6           0.000154169   -0.000044418    0.000000943
     22        6          -0.000032591   -0.000103839    0.000003367
     23        6          -0.000162843   -0.000012547    0.000018128
     24        6          -0.000064178   -0.000062604    0.000085485
     25        6          -0.000317904    0.000152539    0.000277609
     26        6          -0.000460353   -0.000300470   -0.000530278
     27        8           0.000616423   -0.000649303    0.000374528
     28        6           0.000247650    0.000015323   -0.000639123
     29        6           0.000551495   -0.000241567    0.000111610
     30        6           0.000193865    0.000185957   -0.000022439
     31        6          -0.000103588   -0.000121365   -0.000028776
     32        6          -0.000009498    0.000164069    0.000036512
     33        6          -0.000070241   -0.000075246    0.000020829
     34        6          -0.000019586   -0.000080477   -0.000004416
     35        6          -0.000152720   -0.000110101    0.000050765
     36        7          -0.000263566    0.000711152    0.000163278
     37        6          -0.003082428   -0.000504267   -0.000167626
     38        8           0.001032929    0.000208632    0.000228044
     39        8           0.000566902    0.000156282   -0.000075606
     40        6          -0.000034379    0.000122939    0.000148541
     41        6           0.000025544    0.000291304    0.000094207
     42        6           0.000059226    0.000079252   -0.000118203
     43        7          -0.000054772   -0.000341105    0.000116851
     44        6           0.000073305    0.000341856   -0.000173431
     45       16           0.000167266   -0.000009748    0.000002738
     46        6          -0.000431737    0.000046157   -0.000108008
     47        6           0.000591506   -0.000418133   -0.000009167
     48        6           0.000302109   -0.000000060    0.000119423
     49        6          -0.000410428   -0.000132395   -0.000006666
     50       16           0.000075249   -0.000116821    0.000030485
     51        1          -0.000080471   -0.000043081   -0.000081735
     52        1          -0.000032664   -0.000123035   -0.000004991
     53        1           0.000007222   -0.000035171   -0.000007547
     54        1           0.000092604   -0.000043914   -0.000184502
     55        1           0.000182392   -0.000028972    0.000013219
     56        1           0.000017503   -0.000072822    0.000002264
     57        1           0.000056667   -0.000044922    0.000032042
     58        1          -0.000008553   -0.000045035   -0.000133606
     59        1           0.000071939    0.000214235    0.000123963
     60        1          -0.000086963   -0.000003073   -0.000064498
     61        1           0.000224103   -0.000062638   -0.000021545
     62        1          -0.000051761    0.000022952    0.000006895
     63        1           0.000620765   -0.000849560    0.000251856
     64        1          -0.000137726   -0.000192472    0.000009922
     65        1           0.000249192    0.000288882   -0.000431649
     66        1          -0.000059023    0.000220466   -0.000327743
     67        1          -0.000092368    0.000008417   -0.000019176
     68        1          -0.000179599   -0.000026925   -0.000209523
     69        1          -0.000004670   -0.000044915    0.000004010
     70        1           0.000023850   -0.000001457    0.000006457
     71        1           0.000021294   -0.000022865    0.000010020
     72        1           0.000020523   -0.000005205   -0.000008317
     73        1          -0.000016154   -0.000033970    0.000010680
     74        1           0.000061219    0.000150435   -0.000164710
     75        1           0.000182416    0.000226407    0.000412378
     76        1           0.000345604    0.000136195   -0.000478346
     77        1          -0.000107532    0.000163992    0.000264244
     78        1          -0.000118048   -0.000133365   -0.000062471
     79        1          -0.000070769    0.000054964    0.000018190
     80        1           0.000019564    0.000056394    0.000160473
     81        1           0.000080625    0.000085246    0.000018884
     82        1           0.000005784   -0.000021776   -0.000007430
     83        1          -0.000005431    0.000013480    0.000001361
     84        1           0.000015300   -0.000007393   -0.000009497
     85        1           0.000050413   -0.000000250   -0.000020742
     86        1           0.000321522   -0.000071429    0.000161810
     87        1           0.000320682   -0.000193272   -0.000207833
     88        1          -0.000044063   -0.000126327    0.000135974
     89        1          -0.000020701   -0.000155275    0.000157234
     90        1          -0.000029810    0.000014597    0.000011827
     91        1          -0.000073857    0.000150107   -0.000109840
     92        1          -0.000111857    0.000166636    0.000012829
     93        1          -0.000291905    0.000038154   -0.000174474
     94        1          -0.000083398    0.000030749    0.000053843
     95        1          -0.000053328    0.000029957    0.000042880
     96        1          -0.000053942   -0.000023319    0.000065497
     97        1           0.000002987   -0.000004378   -0.000053880
     98        1           0.000381496    0.000188596    0.000071104
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003082428 RMS     0.000362783

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001457399 RMS     0.000203975
 Search for a local minimum.
 Step number  17 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   16   17
 DE= -4.94D-04 DEPred=-5.54D-04 R= 8.92D-01
 SS=  1.41D+00  RLast= 6.34D-01 DXNew= 1.4270D+00 1.9018D+00
 Trust test= 8.92D-01 RLast= 6.34D-01 DXMaxT set to 1.43D+00
     Eigenvalues ---    0.00135   0.00320   0.00333   0.00427   0.00516
     Eigenvalues ---    0.00569   0.00602   0.00652   0.00685   0.00741
     Eigenvalues ---    0.00834   0.00891   0.00917   0.00936   0.01003
     Eigenvalues ---    0.01031   0.01070   0.01132   0.01202   0.01234
     Eigenvalues ---    0.01271   0.01341   0.01373   0.01395   0.01432
     Eigenvalues ---    0.01440   0.01558   0.01567   0.01595   0.01602
     Eigenvalues ---    0.01675   0.01748   0.01822   0.01883   0.01927
     Eigenvalues ---    0.01970   0.01985   0.02020   0.02078   0.02175
     Eigenvalues ---    0.02194   0.02203   0.02213   0.02220   0.02258
     Eigenvalues ---    0.02269   0.02290   0.02328   0.02374   0.02406
     Eigenvalues ---    0.02408   0.02414   0.02448   0.02483   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02622   0.02700   0.02734
     Eigenvalues ---    0.03042   0.03313   0.03955   0.04055   0.04122
     Eigenvalues ---    0.04174   0.04245   0.04388   0.04488   0.04764
     Eigenvalues ---    0.04801   0.04862   0.04913   0.04978   0.05026
     Eigenvalues ---    0.05109   0.05160   0.05354   0.05405   0.05478
     Eigenvalues ---    0.05517   0.05532   0.05560   0.05626   0.05682
     Eigenvalues ---    0.05798   0.05804   0.05816   0.05874   0.05941
     Eigenvalues ---    0.06041   0.06213   0.06346   0.06435   0.06813
     Eigenvalues ---    0.06897   0.07110   0.07415   0.07528   0.07684
     Eigenvalues ---    0.08040   0.08570   0.09444   0.09794   0.10409
     Eigenvalues ---    0.11949   0.12455   0.12890   0.13087   0.13491
     Eigenvalues ---    0.13549   0.13924   0.14322   0.15731   0.15869
     Eigenvalues ---    0.15935   0.15954   0.15997   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16002
     Eigenvalues ---    0.16003   0.16007   0.16018   0.16033   0.16060
     Eigenvalues ---    0.16066   0.16098   0.16160   0.16353   0.16904
     Eigenvalues ---    0.17004   0.17072   0.17388   0.17778   0.18015
     Eigenvalues ---    0.18034   0.18318   0.18899   0.20147   0.20661
     Eigenvalues ---    0.21156   0.21305   0.21778   0.21852   0.21953
     Eigenvalues ---    0.21996   0.22000   0.22000   0.22008   0.22085
     Eigenvalues ---    0.22149   0.22295   0.22734   0.23152   0.23443
     Eigenvalues ---    0.23486   0.23691   0.23736   0.24228   0.24520
     Eigenvalues ---    0.24878   0.24959   0.24995   0.24998   0.25001
     Eigenvalues ---    0.25003   0.25053   0.25083   0.25085   0.25470
     Eigenvalues ---    0.28878   0.29438   0.29568   0.29760   0.29893
     Eigenvalues ---    0.30082   0.30151   0.30233   0.30406   0.30698
     Eigenvalues ---    0.30850   0.31001   0.31313   0.31413   0.31432
     Eigenvalues ---    0.31490   0.31533   0.31558   0.31665   0.31990
     Eigenvalues ---    0.32092   0.32340   0.32385   0.32425   0.32598
     Eigenvalues ---    0.32674   0.32772   0.32788   0.32815   0.32913
     Eigenvalues ---    0.32977   0.33029   0.33054   0.33074   0.33155
     Eigenvalues ---    0.33170   0.33286   0.33383   0.33526   0.33568
     Eigenvalues ---    0.33668   0.33682   0.33793   0.33864   0.33986
     Eigenvalues ---    0.33991   0.34147   0.34202   0.34230   0.34333
     Eigenvalues ---    0.34362   0.34371   0.34458   0.34502   0.34606
     Eigenvalues ---    0.34722   0.35239   0.35880   0.36132   0.36253
     Eigenvalues ---    0.36314   0.36377   0.36626   0.36824   0.36944
     Eigenvalues ---    0.37111   0.38438   0.38665   0.39356   0.40724
     Eigenvalues ---    0.41377   0.41812   0.42390   0.42541   0.42963
     Eigenvalues ---    0.43296   0.43832   0.44201   0.44259   0.45126
     Eigenvalues ---    0.45887   0.47506   0.47593   0.48368   0.48520
     Eigenvalues ---    0.48602   0.48858   0.49164   0.49961   0.50288
     Eigenvalues ---    0.50886   0.51241   0.51397   0.52397   0.56375
     Eigenvalues ---    0.58132   0.59204   0.62292   0.65174   0.72177
     Eigenvalues ---    0.75991   0.77971   0.838521000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    17   16   15   14   13
 RFO step:  Lambda=-6.60566327D-05.
 DIIS coeffs:      0.85305      0.48824     -0.70738      0.41147     -0.04538
 Iteration  1 RMS(Cart)=  0.05539948 RMS(Int)=  0.00022672
 Iteration  2 RMS(Cart)=  0.00076624 RMS(Int)=  0.00004555
 Iteration  3 RMS(Cart)=  0.00000015 RMS(Int)=  0.00004555
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89156   0.00015  -0.00002   0.00033   0.00031   2.89187
    R2        2.07358  -0.00010   0.00009  -0.00037  -0.00028   2.07329
    R3        2.07300  -0.00001  -0.00001   0.00002   0.00001   2.07301
    R4        2.07241   0.00002   0.00002   0.00004   0.00006   2.07247
    R5        2.89756   0.00013  -0.00012   0.00026   0.00014   2.89769
    R6        2.82802   0.00009  -0.00020   0.00047   0.00026   2.82829
    R7        2.13075   0.00004   0.00006  -0.00002   0.00003   2.13079
    R8        2.07156   0.00008   0.00006   0.00015   0.00021   2.07177
    R9        2.07421   0.00001  -0.00008   0.00003  -0.00005   2.07416
   R10        2.07114   0.00001   0.00005   0.00007   0.00012   2.07125
   R11        2.47958   0.00002  -0.00017   0.00023   0.00006   2.47963
   R12        3.37016   0.00005  -0.00010  -0.00055  -0.00066   3.36950
   R13        2.68254   0.00004   0.00026  -0.00032  -0.00006   2.68248
   R14        2.84143  -0.00006  -0.00011  -0.00054  -0.00064   2.84079
   R15        2.58039   0.00007  -0.00007   0.00017   0.00010   2.58049
   R16        2.80422  -0.00019  -0.00009  -0.00045  -0.00054   2.80369
   R17        2.11156  -0.00005   0.00007  -0.00024  -0.00016   2.11139
   R18        2.12001   0.00009   0.00001   0.00036   0.00037   2.12038
   R19        2.81403   0.00025  -0.00003   0.00080   0.00077   2.81480
   R20        2.68689   0.00055  -0.00028   0.00242   0.00214   2.68903
   R21        2.08204   0.00003  -0.00010   0.00026   0.00016   2.08221
   R22        2.09344   0.00005   0.00003   0.00006   0.00008   2.09352
   R23        2.08207  -0.00004   0.00009  -0.00043  -0.00034   2.08173
   R24        2.31462   0.00049  -0.00003   0.00038   0.00035   2.31497
   R25        2.69895  -0.00107  -0.00003  -0.00341  -0.00344   2.69551
   R26        2.80559   0.00066  -0.00039   0.00120   0.00081   2.80640
   R27        1.95026  -0.00101  -0.00021  -0.00261  -0.00282   1.94744
   R28        2.91371   0.00003  -0.00025   0.00029   0.00004   2.91375
   R29        2.94361  -0.00014  -0.00115   0.00079  -0.00036   2.94326
   R30        2.13474   0.00010   0.00003   0.00020   0.00023   2.13497
   R31        2.31578   0.00070  -0.00021   0.00059   0.00038   2.31615
   R32        2.62202  -0.00055  -0.00004  -0.00072  -0.00075   2.62126
   R33        2.81128  -0.00011   0.00006  -0.00041  -0.00035   2.81092
   R34        1.92438  -0.00031  -0.00019  -0.00076  -0.00095   1.92342
   R35        2.92210   0.00037   0.00016   0.00037   0.00053   2.92263
   R36        2.91434   0.00012  -0.00007   0.00004  -0.00003   2.91431
   R37        2.13464   0.00028  -0.00029   0.00092   0.00063   2.13527
   R38        2.84040   0.00025  -0.00007   0.00036   0.00030   2.84070
   R39        2.10425  -0.00005   0.00008  -0.00018  -0.00010   2.10415
   R40        2.09506   0.00025  -0.00015   0.00073   0.00058   2.09564
   R41        2.65313   0.00022  -0.00001   0.00029   0.00028   2.65341
   R42        2.65213   0.00021  -0.00005   0.00022   0.00017   2.65229
   R43        2.63964   0.00011  -0.00002   0.00003   0.00001   2.63965
   R44        2.06007  -0.00003   0.00001  -0.00017  -0.00016   2.05992
   R45        2.64287   0.00013  -0.00005   0.00015   0.00009   2.64296
   R46        2.05877   0.00002   0.00003  -0.00001   0.00002   2.05879
   R47        2.64208   0.00012  -0.00002   0.00008   0.00006   2.64214
   R48        2.05555   0.00003   0.00001   0.00005   0.00005   2.05560
   R49        2.64097   0.00008   0.00001   0.00018   0.00019   2.64116
   R50        2.05783  -0.00001   0.00003  -0.00004   0.00000   2.05783
   R51        2.05462   0.00000   0.00000  -0.00002  -0.00001   2.05461
   R52        2.89754  -0.00042   0.00011  -0.00145  -0.00134   2.89621
   R53        2.10213  -0.00018  -0.00008  -0.00017  -0.00026   2.10188
   R54        2.09674  -0.00038   0.00006  -0.00114  -0.00108   2.09565
   R55        2.72351   0.00094  -0.00003   0.00166   0.00163   2.72514
   R56        2.94968   0.00034   0.00037  -0.00018   0.00019   2.94986
   R57        2.10667   0.00031  -0.00021   0.00093   0.00072   2.10738
   R58        1.86099   0.00015  -0.00019   0.00082   0.00063   1.86162
   R59        2.91325  -0.00058   0.00011  -0.00184  -0.00173   2.91152
   R60        2.81200   0.00071   0.00039   0.00075   0.00114   2.81313
   R61        2.12298   0.00012  -0.00008   0.00037   0.00029   2.12327
   R62        2.83883   0.00002  -0.00004   0.00004   0.00000   2.83883
   R63        2.10839   0.00004  -0.00005  -0.00002  -0.00007   2.10832
   R64        2.10223  -0.00016   0.00000  -0.00036  -0.00036   2.10187
   R65        2.65116   0.00003  -0.00003  -0.00012  -0.00015   2.65101
   R66        2.65241   0.00017  -0.00011   0.00039   0.00028   2.65269
   R67        2.64082   0.00005   0.00003   0.00019   0.00022   2.64104
   R68        2.05798   0.00011  -0.00009   0.00016   0.00007   2.05804
   R69        2.64234   0.00013  -0.00006   0.00004  -0.00002   2.64232
   R70        2.05816  -0.00002   0.00004  -0.00006  -0.00002   2.05814
   R71        2.64299   0.00008  -0.00003   0.00015   0.00013   2.64311
   R72        2.05570   0.00000   0.00001  -0.00001   0.00001   2.05571
   R73        2.64026   0.00004   0.00006  -0.00015  -0.00009   2.64017
   R74        2.05773   0.00000  -0.00002  -0.00002  -0.00004   2.05769
   R75        2.05484   0.00004  -0.00006   0.00008   0.00002   2.05486
   R76        2.60858  -0.00020   0.00030  -0.00069  -0.00039   2.60819
   R77        1.92315   0.00011  -0.00020   0.00015  -0.00005   1.92309
   R78        2.29450   0.00008  -0.00028   0.00015  -0.00013   2.29438
   R79        2.64550   0.00004   0.00046  -0.00012   0.00035   2.64585
   R80        2.75206   0.00015   0.00046  -0.00047  -0.00002   2.75205
   R81        2.79594   0.00025  -0.00004   0.00036   0.00032   2.79626
   R82        2.10156  -0.00039   0.00040  -0.00082  -0.00042   2.10113
   R83        2.10158  -0.00016  -0.00012  -0.00064  -0.00076   2.10082
   R84        2.58590   0.00013  -0.00011   0.00030   0.00019   2.58609
   R85        3.29275   0.00011   0.00013  -0.00035  -0.00022   3.29253
   R86        2.66711   0.00001   0.00033  -0.00058  -0.00025   2.66686
   R87        2.05261   0.00018  -0.00016   0.00047   0.00032   2.05293
   R88        2.47518   0.00033  -0.00020   0.00091   0.00071   2.47589
   R89        3.35514  -0.00006  -0.00001  -0.00112  -0.00113   3.35401
   R90        2.04698  -0.00002   0.00017  -0.00001   0.00016   2.04714
   R91        2.89701  -0.00024  -0.00083   0.00094   0.00012   2.89712
   R92        2.89281  -0.00005  -0.00020   0.00003  -0.00017   2.89263
   R93        2.12233  -0.00011   0.00006  -0.00058  -0.00052   2.12181
   R94        2.07624   0.00014  -0.00008   0.00055   0.00047   2.07671
   R95        2.07242   0.00009  -0.00009   0.00040   0.00031   2.07273
   R96        2.07549   0.00000  -0.00005   0.00009   0.00003   2.07552
   R97        2.07364   0.00004  -0.00006   0.00015   0.00009   2.07373
   R98        2.08030   0.00003  -0.00004   0.00032   0.00028   2.08058
   R99        2.06931   0.00003  -0.00012   0.00017   0.00005   2.06936
   R100       3.27886   0.00003   0.00016  -0.00051  -0.00035   3.27851
   R101       2.04214  -0.00034   0.00017  -0.00091  -0.00074   2.04140
    A1        1.93347  -0.00005   0.00010  -0.00014  -0.00004   1.93343
    A2        1.94879  -0.00003   0.00012  -0.00026  -0.00014   1.94865
    A3        1.96426  -0.00003   0.00011  -0.00063  -0.00053   1.96373
    A4        1.87090   0.00007   0.00011   0.00028   0.00039   1.87129
    A5        1.86331   0.00006  -0.00034   0.00112   0.00078   1.86410
    A6        1.87835   0.00000  -0.00013  -0.00027  -0.00039   1.87796
    A7        1.94860   0.00007  -0.00007   0.00074   0.00067   1.94927
    A8        1.94516  -0.00026   0.00031  -0.00207  -0.00176   1.94340
    A9        1.88837   0.00010  -0.00063   0.00077   0.00014   1.88851
   A10        1.90968   0.00023   0.00015   0.00145   0.00159   1.91128
   A11        1.89077  -0.00011   0.00015  -0.00063  -0.00048   1.89029
   A12        1.87904  -0.00003   0.00009  -0.00028  -0.00020   1.87884
   A13        1.95660   0.00018  -0.00012   0.00115   0.00102   1.95763
   A14        1.94167   0.00002   0.00018  -0.00005   0.00013   1.94180
   A15        1.93630   0.00003   0.00002   0.00001   0.00003   1.93632
   A16        1.87571  -0.00010  -0.00005  -0.00022  -0.00028   1.87544
   A17        1.87483  -0.00014  -0.00018  -0.00101  -0.00119   1.87364
   A18        1.87501  -0.00001   0.00015   0.00005   0.00020   1.87522
   A19        2.20472   0.00016  -0.00013   0.00046   0.00033   2.20505
   A20        2.12127  -0.00011   0.00008  -0.00022  -0.00013   2.12114
   A21        1.95697  -0.00005   0.00005  -0.00019  -0.00015   1.95682
   A22        1.96004   0.00004   0.00004   0.00009   0.00013   1.96017
   A23        2.04091  -0.00038   0.00017  -0.00145  -0.00129   2.03962
   A24        2.01152  -0.00001  -0.00010  -0.00007  -0.00016   2.01135
   A25        2.23064   0.00039  -0.00007   0.00156   0.00149   2.23212
   A26        1.99819  -0.00016  -0.00057   0.00136   0.00079   1.99898
   A27        1.91428   0.00014   0.00015   0.00026   0.00040   1.91468
   A28        1.91868  -0.00012   0.00015  -0.00054  -0.00039   1.91829
   A29        1.91514  -0.00005   0.00018  -0.00125  -0.00108   1.91406
   A30        1.87262   0.00023   0.00030   0.00030   0.00060   1.87321
   A31        1.83774  -0.00004  -0.00015  -0.00027  -0.00042   1.83732
   A32        1.98536   0.00042   0.00086   0.00195   0.00330   1.98866
   A33        2.11899  -0.00044   0.00135  -0.00189  -0.00011   2.11888
   A34        2.00155   0.00028   0.00067   0.00168   0.00286   2.00442
   A35        1.90378  -0.00010   0.00040  -0.00187  -0.00147   1.90231
   A36        1.91193   0.00033   0.00009   0.00194   0.00203   1.91396
   A37        1.96868  -0.00011  -0.00035   0.00033  -0.00003   1.96865
   A38        1.88703  -0.00007   0.00036  -0.00097  -0.00060   1.88643
   A39        1.90097   0.00007   0.00001   0.00061   0.00062   1.90158
   A40        1.88975  -0.00012  -0.00049  -0.00008  -0.00057   1.88917
   A41        2.11924  -0.00031   0.00026  -0.00071  -0.00046   2.11878
   A42        2.05696  -0.00005  -0.00009  -0.00095  -0.00104   2.05591
   A43        2.10683   0.00036  -0.00016   0.00170   0.00154   2.10837
   A44        2.02560   0.00057   0.00011   0.00435   0.00460   2.03020
   A45        2.05920  -0.00005   0.00060   0.00326   0.00403   2.06322
   A46        1.96688  -0.00029   0.00110   0.00055   0.00181   1.96869
   A47        1.89504   0.00011  -0.00031   0.00095   0.00064   1.89567
   A48        1.89889   0.00009   0.00066   0.00066   0.00132   1.90021
   A49        1.88949  -0.00001   0.00014   0.00085   0.00100   1.89049
   A50        1.95275  -0.00035   0.00002  -0.00319  -0.00317   1.94958
   A51        1.92689   0.00011  -0.00035   0.00066   0.00031   1.92720
   A52        1.89957   0.00006  -0.00015   0.00019   0.00005   1.89961
   A53        2.12579  -0.00021   0.00062  -0.00007   0.00048   2.12627
   A54        2.03765   0.00022  -0.00081   0.00073  -0.00015   2.03750
   A55        2.11948  -0.00002   0.00050  -0.00066  -0.00023   2.11926
   A56        2.10785   0.00011   0.00057  -0.00044   0.00020   2.10805
   A57        2.12306  -0.00022   0.00017  -0.00066  -0.00042   2.12265
   A58        2.03226   0.00014  -0.00031   0.00133   0.00111   2.03336
   A59        1.90837   0.00013  -0.00098   0.00209   0.00111   1.90948
   A60        1.93129   0.00008   0.00062  -0.00083  -0.00020   1.93109
   A61        1.87912  -0.00005   0.00080  -0.00077   0.00002   1.87914
   A62        1.95220  -0.00013  -0.00066   0.00061  -0.00005   1.95215
   A63        1.88607   0.00001   0.00020  -0.00013   0.00007   1.88614
   A64        1.90478  -0.00006   0.00008  -0.00103  -0.00095   1.90383
   A65        1.98857   0.00016   0.00023   0.00053   0.00077   1.98933
   A66        1.89403   0.00002  -0.00027   0.00064   0.00037   1.89439
   A67        1.89940  -0.00001   0.00008  -0.00024  -0.00016   1.89924
   A68        1.91694  -0.00006   0.00002  -0.00010  -0.00008   1.91687
   A69        1.93025  -0.00010   0.00002  -0.00043  -0.00041   1.92984
   A70        1.82736  -0.00002  -0.00012  -0.00046  -0.00059   1.82678
   A71        2.09566   0.00011  -0.00006   0.00035   0.00029   2.09595
   A72        2.10180   0.00002  -0.00007   0.00011   0.00003   2.10183
   A73        2.08571  -0.00013   0.00013  -0.00046  -0.00032   2.08538
   A74        2.09666   0.00007  -0.00011   0.00032   0.00021   2.09687
   A75        2.09512   0.00000   0.00002  -0.00003   0.00000   2.09512
   A76        2.09132  -0.00007   0.00009  -0.00029  -0.00020   2.09112
   A77        2.09885  -0.00001   0.00004  -0.00004   0.00000   2.09886
   A78        2.09063   0.00000   0.00001   0.00005   0.00006   2.09069
   A79        2.09369   0.00001  -0.00005  -0.00002  -0.00007   2.09363
   A80        2.08977   0.00000   0.00001  -0.00007  -0.00006   2.08971
   A81        2.09660  -0.00002   0.00006  -0.00013  -0.00008   2.09653
   A82        2.09680   0.00002  -0.00007   0.00020   0.00014   2.09694
   A83        2.09916   0.00001   0.00002   0.00000   0.00002   2.09917
   A84        2.09295  -0.00002   0.00010  -0.00009   0.00001   2.09296
   A85        2.09108   0.00001  -0.00012   0.00009  -0.00002   2.09105
   A86        2.09618   0.00006  -0.00009   0.00024   0.00015   2.09633
   A87        2.09718   0.00001  -0.00006   0.00012   0.00006   2.09724
   A88        2.08981  -0.00007   0.00016  -0.00037  -0.00021   2.08960
   A89        1.95469   0.00028   0.00122  -0.00034   0.00089   1.95558
   A90        1.92697  -0.00004  -0.00014   0.00125   0.00113   1.92810
   A91        1.90571  -0.00006  -0.00105   0.00052  -0.00053   1.90517
   A92        1.89770  -0.00002   0.00079  -0.00043   0.00036   1.89806
   A93        1.93462  -0.00026  -0.00118  -0.00066  -0.00185   1.93278
   A94        1.84086   0.00009   0.00028  -0.00032  -0.00005   1.84081
   A95        1.84597   0.00013   0.00031   0.00007   0.00038   1.84635
   A96        1.97149  -0.00032  -0.00130  -0.00091  -0.00221   1.96927
   A97        1.96101  -0.00015  -0.00018  -0.00178  -0.00196   1.95904
   A98        1.82663   0.00008   0.00045  -0.00001   0.00044   1.82707
   A99        1.91891   0.00003   0.00015   0.00204   0.00219   1.92109
   A100       1.93247   0.00025   0.00064   0.00082   0.00145   1.93392
   A101       1.93082   0.00002   0.00017  -0.00002   0.00014   1.93097
   A102       1.94845  -0.00023  -0.00039  -0.00060  -0.00100   1.94745
   A103       1.89158   0.00051   0.00215   0.00124   0.00339   1.89497
   A104       1.89319  -0.00010   0.00005  -0.00103  -0.00098   1.89221
   A105       1.94537  -0.00019  -0.00104   0.00053  -0.00051   1.94486
   A106       1.92493   0.00011  -0.00056  -0.00030  -0.00086   1.92407
   A107       1.85723  -0.00008  -0.00015   0.00018   0.00005   1.85727
   A108       1.94902   0.00001  -0.00004   0.00013   0.00009   1.94911
   A109       1.91332   0.00005   0.00004   0.00004   0.00008   1.91340
   A110       1.91169  -0.00005  -0.00014  -0.00036  -0.00050   1.91119
   A111       1.93771  -0.00008   0.00011  -0.00028  -0.00018   1.93753
   A112       1.92288   0.00005  -0.00010   0.00054   0.00044   1.92332
   A113       1.82522   0.00002   0.00014  -0.00009   0.00005   1.82527
   A114       2.09756  -0.00001  -0.00019   0.00020   0.00001   2.09758
   A115       2.09692   0.00007   0.00000   0.00015   0.00014   2.09706
   A116       2.08870  -0.00007   0.00019  -0.00035  -0.00016   2.08855
   A117       2.09478   0.00005  -0.00015   0.00024   0.00008   2.09487
   A118       2.09518  -0.00006   0.00003  -0.00017  -0.00014   2.09504
   A119       2.09322   0.00001   0.00012  -0.00007   0.00006   2.09327
   A120       2.09878  -0.00001   0.00006  -0.00005   0.00001   2.09879
   A121       2.09072   0.00001  -0.00012   0.00003  -0.00009   2.09063
   A122       2.09369   0.00000   0.00006   0.00002   0.00008   2.09377
   A123       2.09072   0.00000   0.00000  -0.00004  -0.00004   2.09068
   A124       2.09649  -0.00001   0.00006   0.00005   0.00011   2.09660
   A125       2.09598   0.00002  -0.00006  -0.00001  -0.00007   2.09590
   A126       2.09865  -0.00002   0.00003  -0.00005  -0.00002   2.09863
   A127       2.09278   0.00003  -0.00004   0.00001  -0.00003   2.09275
   A128       2.09175  -0.00001   0.00001   0.00004   0.00005   2.09180
   A129       2.09474   0.00005  -0.00012   0.00024   0.00012   2.09486
   A130       2.09790  -0.00007   0.00027  -0.00050  -0.00023   2.09767
   A131       2.09054   0.00002  -0.00014   0.00025   0.00011   2.09065
   A132       2.12418   0.00043   0.00028   0.00133   0.00158   2.12575
   A133       2.05770  -0.00014  -0.00019   0.00025   0.00001   2.05771
   A134       2.09486  -0.00025  -0.00008  -0.00010  -0.00022   2.09465
   A135       2.25344   0.00019  -0.00004   0.00048   0.00073   2.25417
   A136       1.88343   0.00029  -0.00060   0.00089   0.00059   1.88401
   A137       2.14613  -0.00045  -0.00006  -0.00135  -0.00112   2.14500
   A138       2.01895  -0.00025   0.00081  -0.00181  -0.00099   2.01795
   A139       1.90845   0.00021   0.00105  -0.00038   0.00067   1.90912
   A140       1.76820  -0.00001  -0.00086   0.00035  -0.00051   1.76769
   A141       1.90633  -0.00019  -0.00032  -0.00081  -0.00113   1.90520
   A142       1.96665  -0.00010  -0.00079   0.00023  -0.00057   1.96608
   A143       1.97147   0.00002   0.00081  -0.00004   0.00077   1.97224
   A144       1.93123   0.00006  -0.00003   0.00063   0.00060   1.93182
   A145       2.26153  -0.00013   0.00031  -0.00115  -0.00084   2.26069
   A146       2.10992   0.00017  -0.00039   0.00147   0.00108   2.11100
   A147       1.91172  -0.00004   0.00009  -0.00032  -0.00023   1.91149
   A148       2.01368   0.00003  -0.00022   0.00017  -0.00004   2.01364
   A149       2.20804   0.00003   0.00036  -0.00046  -0.00010   2.20794
   A150       2.06146  -0.00006  -0.00014   0.00028   0.00014   2.06160
   A151       1.95731  -0.00002   0.00017  -0.00013   0.00005   1.95736
   A152       1.96799  -0.00004  -0.00006  -0.00015  -0.00021   1.96778
   A153       2.19793   0.00005   0.00016  -0.00050  -0.00034   2.19758
   A154       2.11726   0.00000  -0.00010   0.00066   0.00056   2.11782
   A155       1.57403   0.00008   0.00001   0.00044   0.00045   1.57448
   A156       1.97152  -0.00010  -0.00108   0.00091  -0.00017   1.97135
   A157       1.91320   0.00017  -0.00047   0.00068   0.00021   1.91340
   A158       1.85319  -0.00003   0.00049  -0.00042   0.00007   1.85327
   A159       1.95416  -0.00003  -0.00001  -0.00013  -0.00015   1.95401
   A160       1.88614   0.00005   0.00075  -0.00016   0.00059   1.88674
   A161       1.88042  -0.00007   0.00045  -0.00102  -0.00057   1.87986
   A162       1.97719   0.00012  -0.00053   0.00161   0.00108   1.97828
   A163       1.96119   0.00005  -0.00038   0.00049   0.00011   1.96130
   A164       1.94354   0.00013   0.00013   0.00130   0.00143   1.94497
   A165       1.87566  -0.00020  -0.00021  -0.00219  -0.00239   1.87327
   A166       1.84936  -0.00012   0.00046  -0.00102  -0.00057   1.84880
   A167       1.84858  -0.00001   0.00063  -0.00050   0.00013   1.84872
   A168       1.93284  -0.00003   0.00016  -0.00019  -0.00003   1.93280
   A169       1.96783   0.00006  -0.00025   0.00070   0.00045   1.96828
   A170       1.95587  -0.00002  -0.00019  -0.00003  -0.00022   1.95565
   A171       1.85833  -0.00005   0.00026  -0.00105  -0.00080   1.85753
   A172       1.86188   0.00005   0.00030   0.00020   0.00050   1.86238
   A173       1.88122  -0.00001  -0.00024   0.00032   0.00008   1.88130
   A174       1.91587  -0.00003   0.00000  -0.00009  -0.00009   1.91578
   A175       2.23776   0.00025   0.00008   0.00059   0.00066   2.23843
   A176       2.12954  -0.00023  -0.00007  -0.00049  -0.00057   2.12897
   A177       1.58037   0.00004   0.00000   0.00027   0.00027   1.58064
    D1        1.09677  -0.00003  -0.00452   0.01454   0.01002   1.10679
    D2       -3.04494   0.00012  -0.00416   0.01545   0.01129  -3.03365
    D3       -0.98230   0.00000  -0.00427   0.01439   0.01012  -0.97218
    D4       -3.10253   0.00000  -0.00424   0.01463   0.01039  -3.09214
    D5       -0.96105   0.00015  -0.00387   0.01554   0.01166  -0.94939
    D6        1.10159   0.00003  -0.00399   0.01447   0.01049   1.11208
    D7       -0.98779  -0.00005  -0.00424   0.01364   0.00940  -0.97839
    D8        1.15368   0.00010  -0.00387   0.01455   0.01068   1.16436
    D9       -3.06686  -0.00002  -0.00399   0.01348   0.00950  -3.05736
   D10        1.05977  -0.00011  -0.00406   0.00881   0.00474   1.06451
   D11       -3.12253  -0.00010  -0.00408   0.00927   0.00519  -3.11734
   D12       -1.03626  -0.00007  -0.00376   0.00931   0.00555  -1.03071
   D13       -1.10185   0.00002  -0.00452   0.00991   0.00539  -1.09646
   D14        0.99904   0.00003  -0.00454   0.01037   0.00583   1.00488
   D15        3.08531   0.00005  -0.00421   0.01041   0.00619   3.09151
   D16        3.13741  -0.00001  -0.00478   0.00980   0.00502  -3.14076
   D17       -1.04488   0.00000  -0.00481   0.01027   0.00546  -1.03942
   D18        1.04139   0.00003  -0.00448   0.01030   0.00582   1.04721
   D19        2.40808  -0.00018   0.00572  -0.03714  -0.03142   2.37666
   D20       -0.75800  -0.00013   0.00569  -0.03443  -0.02874  -0.78674
   D21       -1.71147  -0.00012   0.00595  -0.03659  -0.03065  -1.74211
   D22        1.40564  -0.00006   0.00592  -0.03388  -0.02796   1.37768
   D23        0.33984  -0.00014   0.00625  -0.03672  -0.03047   0.30937
   D24       -2.82624  -0.00009   0.00623  -0.03401  -0.02778  -2.85402
   D25        3.12152   0.00004  -0.00012   0.00220   0.00207   3.12359
   D26        0.00246  -0.00001  -0.00010  -0.00030  -0.00040   0.00206
   D27       -3.12452  -0.00004   0.00012  -0.00191  -0.00179  -3.12632
   D28       -0.00423   0.00001   0.00009   0.00046   0.00055  -0.00368
   D29        3.12755   0.00006   0.00006   0.00235   0.00241   3.12997
   D30        0.00132   0.00000   0.00006  -0.00008  -0.00002   0.00130
   D31        2.23934  -0.00002  -0.00465   0.00219  -0.00246   2.23688
   D32       -1.88244  -0.00008  -0.00474   0.00174  -0.00300  -1.88544
   D33        0.13031  -0.00012  -0.00475   0.00126  -0.00350   0.12681
   D34       -0.91984   0.00004  -0.00464   0.00495   0.00031  -0.91953
   D35        1.24157  -0.00003  -0.00473   0.00450  -0.00023   1.24134
   D36       -3.02887  -0.00007  -0.00474   0.00402  -0.00072  -3.02960
   D37       -0.00448   0.00001   0.00001   0.00042   0.00044  -0.00404
   D38        3.13153   0.00008   0.00017   0.00218   0.00236   3.13390
   D39       -3.12874  -0.00005   0.00000  -0.00229  -0.00229  -3.13102
   D40        0.00728   0.00003   0.00016  -0.00053  -0.00036   0.00692
   D41       -1.18701  -0.00028  -0.00369  -0.00716  -0.01078  -1.19779
   D42        1.31650   0.00025   0.00382  -0.00367   0.00008   1.31658
   D43        2.93523  -0.00032  -0.00359  -0.00752  -0.01103   2.92420
   D44       -0.84444   0.00022   0.00393  -0.00403  -0.00017  -0.84462
   D45        0.94728  -0.00037  -0.00365  -0.00674  -0.01031   0.93696
   D46       -2.83240   0.00017   0.00387  -0.00325   0.00055  -2.83185
   D47       -1.05696   0.00008   0.00846  -0.02182  -0.01336  -1.07031
   D48       -3.11928   0.00003   0.00771  -0.02068  -0.01295  -3.13223
   D49        1.05775   0.00002   0.00851  -0.02214  -0.01362   1.04412
   D50        2.67840  -0.00014   0.00138  -0.02370  -0.02233   2.65607
   D51        0.61607  -0.00019   0.00064  -0.02255  -0.02192   0.59415
   D52       -1.49008  -0.00020   0.00143  -0.02402  -0.02260  -1.51268
   D53       -2.86408  -0.00020  -0.00496   0.01039   0.00547  -2.85861
   D54        0.29667  -0.00022  -0.00512   0.00837   0.00330   0.29997
   D55       -0.36600   0.00039   0.00262   0.01398   0.01656  -0.34945
   D56        2.79474   0.00037   0.00247   0.01196   0.01439   2.80913
   D57        2.80720  -0.00008   0.00079  -0.00189  -0.00113   2.80607
   D58        0.39414  -0.00028  -0.00304  -0.01304  -0.01605   0.37809
   D59       -0.31538  -0.00010   0.00063  -0.00387  -0.00326  -0.31864
   D60       -2.72844  -0.00029  -0.00319  -0.01502  -0.01819  -2.74663
   D61       -1.67963  -0.00033  -0.00052  -0.01090  -0.01140  -1.69103
   D62        2.47441  -0.00002  -0.00075  -0.00799  -0.00873   2.46568
   D63        0.41266  -0.00013  -0.00103  -0.00907  -0.01008   0.40258
   D64        0.77100  -0.00007   0.00291   0.00067   0.00357   0.77457
   D65       -1.35814   0.00023   0.00268   0.00358   0.00624  -1.35191
   D66        2.86329   0.00012   0.00239   0.00250   0.00488   2.86818
   D67       -0.50753   0.00012  -0.00068  -0.00293  -0.00362  -0.51115
   D68        2.60997  -0.00007   0.00398  -0.00252   0.00146   2.61143
   D69        1.58843   0.00008  -0.00005  -0.00347  -0.00352   1.58490
   D70       -1.57726  -0.00010   0.00461  -0.00306   0.00156  -1.57570
   D71       -2.57635  -0.00001  -0.00046  -0.00493  -0.00540  -2.58175
   D72        0.54115  -0.00020   0.00419  -0.00452  -0.00032   0.54083
   D73        1.21918   0.00005   0.00031  -0.00416  -0.00385   1.21533
   D74       -2.87171   0.00007  -0.00087  -0.00313  -0.00400  -2.87571
   D75       -0.84504   0.00005  -0.00031  -0.00421  -0.00452  -0.84957
   D76       -0.87453   0.00007   0.00025  -0.00378  -0.00353  -0.87806
   D77        1.31777   0.00009  -0.00093  -0.00275  -0.00369   1.31408
   D78       -2.93875   0.00007  -0.00038  -0.00383  -0.00421  -2.94296
   D79       -3.00863   0.00012   0.00078  -0.00265  -0.00188  -3.01051
   D80       -0.81633   0.00014  -0.00041  -0.00163  -0.00203  -0.81837
   D81        1.21033   0.00013   0.00015  -0.00270  -0.00255   1.20778
   D82        3.08422   0.00036   0.00235  -0.00278  -0.00043   3.08379
   D83        0.16388   0.00017  -0.00132  -0.00419  -0.00549   0.15838
   D84       -0.08137   0.00017   0.00702  -0.00236   0.00464  -0.07674
   D85       -3.00171  -0.00002   0.00335  -0.00378  -0.00043  -3.00214
   D86        2.24305   0.00021  -0.00438   0.02246   0.01808   2.26113
   D87       -1.88229   0.00020  -0.00547   0.02411   0.01865  -1.86364
   D88        0.19799   0.00015  -0.00452   0.02192   0.01739   0.21538
   D89       -1.10874   0.00035  -0.00086   0.02357   0.02272  -1.08602
   D90        1.04911   0.00034  -0.00195   0.02522   0.02328   1.07239
   D91        3.12939   0.00029  -0.00100   0.02303   0.02203  -3.13177
   D92        1.12482   0.00002  -0.00176  -0.00673  -0.00849   1.11632
   D93       -1.01662  -0.00003  -0.00175  -0.00744  -0.00919  -1.02581
   D94       -2.99563  -0.00001  -0.00151  -0.00710  -0.00861  -3.00424
   D95       -1.02064  -0.00009  -0.00143  -0.00756  -0.00899  -1.02963
   D96        3.12110  -0.00014  -0.00142  -0.00827  -0.00968   3.11142
   D97        1.14210  -0.00012  -0.00117  -0.00793  -0.00910   1.13299
   D98       -3.11770   0.00005  -0.00124  -0.00658  -0.00782  -3.12552
   D99        1.02405   0.00000  -0.00123  -0.00729  -0.00852   1.01552
   D100      -0.95496   0.00002  -0.00099  -0.00695  -0.00794  -0.96290
   D101       1.21581  -0.00003   0.00108  -0.00582  -0.00474   1.21106
   D102      -0.90160  -0.00016  -0.00068  -0.00592  -0.00660  -0.90820
   D103      -2.91787  -0.00022  -0.00034  -0.00653  -0.00687  -2.92474
   D104      -2.93499   0.00011  -0.00020  -0.00330  -0.00350  -2.93849
   D105       1.23079  -0.00002  -0.00196  -0.00339  -0.00536   1.22543
   D106      -0.78548  -0.00008  -0.00162  -0.00401  -0.00563  -0.79111
   D107      -0.84891   0.00001  -0.00031  -0.00375  -0.00407  -0.85298
   D108      -2.96632  -0.00012  -0.00208  -0.00384  -0.00592  -2.97224
   D109       1.30060  -0.00018  -0.00173  -0.00446  -0.00619   1.29441
   D110      -1.53353  -0.00010  -0.00065  -0.00406  -0.00471  -1.53824
   D111       1.61481  -0.00010  -0.00053  -0.00408  -0.00461   1.61020
   D112       0.59532   0.00000  -0.00082  -0.00294  -0.00375   0.59157
   D113      -2.53953   0.00000  -0.00070  -0.00295  -0.00365  -2.54318
   D114       2.60366  -0.00012  -0.00094  -0.00381  -0.00474   2.59891
   D115      -0.53120  -0.00012  -0.00082  -0.00382  -0.00464  -0.53584
   D116       3.13961  -0.00001   0.00012  -0.00066  -0.00054   3.13907
   D117      -0.01494   0.00000   0.00017  -0.00077  -0.00060  -0.01554
   D118      -0.00866  -0.00001   0.00001  -0.00065  -0.00064  -0.00929
   D119       3.11998   0.00000   0.00006  -0.00076  -0.00070   3.11928
   D120      -3.14004   0.00001  -0.00008   0.00046   0.00039  -3.13965
   D121       0.00852   0.00000  -0.00001   0.00022   0.00021   0.00873
   D122       0.00826   0.00001   0.00004   0.00045   0.00048   0.00874
   D123      -3.12637   0.00000   0.00011   0.00020   0.00031  -3.12606
   D124       0.00232   0.00001  -0.00004   0.00040   0.00036   0.00268
   D125       3.13964   0.00001  -0.00005   0.00048   0.00043   3.14008
   D126      -3.12634   0.00000  -0.00009   0.00051   0.00042  -3.12592
   D127       0.01098   0.00000  -0.00010   0.00059   0.00049   0.01147
   D128       0.00446   0.00000   0.00003   0.00005   0.00008   0.00454
   D129       3.14086   0.00000   0.00002   0.00006   0.00008   3.14094
   D130      -3.13286   0.00000   0.00004  -0.00003   0.00000  -3.13285
   D131       0.00354   0.00000   0.00002  -0.00002   0.00001   0.00355
   D132      -0.00486   0.00000   0.00002  -0.00025  -0.00023  -0.00509
   D133       3.13409   0.00000   0.00001  -0.00027  -0.00027   3.13382
   D134      -3.14126  -0.00001   0.00003  -0.00026  -0.00023  -3.14149
   D135      -0.00231  -0.00001   0.00002  -0.00029  -0.00027  -0.00258
   D136      -0.00152   0.00000  -0.00005   0.00000  -0.00005  -0.00157
   D137       3.13314   0.00001  -0.00012   0.00024   0.00012   3.13326
   D138      -3.14047   0.00000  -0.00004   0.00002  -0.00002  -3.14049
   D139      -0.00581   0.00001  -0.00011   0.00026   0.00016  -0.00566
   D140      -1.57400  -0.00021   0.00583  -0.02971  -0.02387  -1.59787
   D141       2.72123  -0.00022   0.00576  -0.02928  -0.02351   2.69772
   D142       0.51970  -0.00018   0.00611  -0.02818  -0.02206   0.49763
   D143       0.56019  -0.00009   0.00705  -0.02865  -0.02161   0.53858
   D144      -1.42776  -0.00011   0.00698  -0.02822  -0.02125  -1.44902
   D145       2.65388  -0.00006   0.00733  -0.02713  -0.01981   2.63408
   D146       2.57610  -0.00014   0.00717  -0.02966  -0.02248   2.55361
   D147       0.58814  -0.00015   0.00710  -0.02923  -0.02213   0.56601
   D148      -1.61339  -0.00010   0.00745  -0.02813  -0.02068  -1.63408
   D149       2.23807   0.00023   0.00153   0.00787   0.00940   2.24746
   D150      -1.95903  -0.00004   0.00040   0.00687   0.00726  -1.95177
   D151       0.11698   0.00031   0.00148   0.00883   0.01031   0.12730
   D152      -1.04777   0.00010  -0.00010   0.01325   0.01315  -1.03461
   D153       3.08636   0.00014  -0.00001   0.01212   0.01211   3.09847
   D154       1.07674   0.00002  -0.00101   0.01180   0.01079   1.08752
   D155      -3.04740   0.00005  -0.00010   0.01362   0.01351  -3.03390
   D156       1.08672   0.00009  -0.00002   0.01248   0.01247   1.09919
   D157      -0.92290  -0.00003  -0.00102   0.01216   0.01114  -0.91176
   D158       1.16895  -0.00015  -0.00087   0.01081   0.00994   1.17889
   D159      -0.98011  -0.00011  -0.00078   0.00968   0.00890  -0.97121
   D160      -2.98973  -0.00023  -0.00178   0.00935   0.00758  -2.98215
   D161       2.98436  -0.00016   0.00070  -0.00454  -0.00384   2.98052
   D162      -1.14385  -0.00021   0.00084  -0.00478  -0.00395  -1.14780
   D163       0.84942  -0.00019   0.00095  -0.00507  -0.00412   0.84530
   D164      -1.18067   0.00020   0.00244  -0.00299  -0.00055  -1.18122
   D165       0.97430   0.00015   0.00258  -0.00324  -0.00065   0.97364
   D166       2.96757   0.00017   0.00270  -0.00352  -0.00083   2.96674
   D167       0.87830   0.00005   0.00127  -0.00263  -0.00136   0.87694
   D168       3.03327   0.00000   0.00141  -0.00287  -0.00147   3.03180
   D169      -1.25665   0.00002   0.00152  -0.00316  -0.00164  -1.25828
   D170       1.16657  -0.00011  -0.00133   0.01045   0.00912   1.17569
   D171      -2.09685   0.00024  -0.00159   0.02440   0.02282  -2.07404
   D172      -0.98435  -0.00004  -0.00162   0.01001   0.00838  -0.97597
   D173       2.03541   0.00030  -0.00187   0.02396   0.02208   2.05749
   D174      -3.08363  -0.00001  -0.00027   0.00996   0.00969  -3.07394
   D175      -0.06387   0.00033  -0.00052   0.02390   0.02339  -0.04049
   D176       1.76154   0.00001  -0.00120   0.00319   0.00199   1.76353
   D177      -1.37742   0.00001  -0.00118   0.00288   0.00170  -1.37572
   D178      -0.37957   0.00000  -0.00130   0.00325   0.00195  -0.37761
   D179       2.76466  -0.00001  -0.00128   0.00294   0.00167   2.76633
   D180      -2.39314  -0.00001  -0.00147   0.00320   0.00173  -2.39140
   D181       0.75109  -0.00002  -0.00145   0.00290   0.00144   0.75254
   D182      -3.13990   0.00000   0.00003  -0.00031  -0.00029  -3.14019
   D183       0.00345  -0.00002  -0.00007  -0.00060  -0.00067   0.00277
   D184      -0.00093   0.00000   0.00001  -0.00001   0.00000  -0.00093
   D185      -3.14077  -0.00002  -0.00009  -0.00030  -0.00038  -3.14115
   D186       3.13974   0.00001   0.00000   0.00029   0.00030   3.14004
   D187      -0.00441   0.00000   0.00001   0.00026   0.00027  -0.00413
   D188       0.00077   0.00000   0.00002  -0.00001   0.00001   0.00078
   D189       3.13981   0.00000   0.00003  -0.00004  -0.00001   3.13979
   D190       0.00087   0.00000  -0.00003   0.00000  -0.00003   0.00085
   D191      -3.14027   0.00000  -0.00007   0.00003  -0.00004  -3.14032
   D192       3.14071   0.00001   0.00006   0.00029   0.00036   3.14107
   D193      -0.00044   0.00001   0.00003   0.00032   0.00034  -0.00009
   D194      -0.00065   0.00000   0.00002   0.00002   0.00004  -0.00060
   D195      -3.14090   0.00000  -0.00001   0.00008   0.00007  -3.14084
   D196       3.14050   0.00000   0.00006   0.00000   0.00006   3.14056
   D197       0.00024   0.00000   0.00003   0.00005   0.00008   0.00033
   D198       0.00049   0.00000   0.00001  -0.00004  -0.00003   0.00045
   D199      -3.14009   0.00000  -0.00001   0.00003   0.00002  -3.14007
   D200       3.14074   0.00000   0.00004  -0.00010  -0.00006   3.14068
   D201       0.00017   0.00000   0.00003  -0.00003   0.00000   0.00016
   D202      -0.00055   0.00000  -0.00003   0.00004   0.00001  -0.00054
   D203      -3.13960   0.00000  -0.00004   0.00007   0.00003  -3.13957
   D204       3.14003   0.00000  -0.00002  -0.00003  -0.00005   3.13998
   D205       0.00098   0.00000  -0.00002   0.00000  -0.00003   0.00095
   D206      -0.04659  -0.00048  -0.01321   0.01791   0.00470  -0.04189
   D207       3.07439   0.00146   0.00727   0.01880   0.02607   3.10046
   D208      -3.06381  -0.00084  -0.01294   0.00364  -0.00930  -3.07311
   D209       0.05717   0.00110   0.00753   0.00453   0.01207   0.06924
   D210       2.92376  -0.00124  -0.00950   0.00010  -0.00940   2.91436
   D211      -0.23689   0.00057   0.00940   0.00095   0.01035  -0.22654
   D212      -1.50887   0.00009  -0.00266   0.00688   0.00422  -1.50465
   D213       2.69488   0.00012  -0.00174   0.00660   0.00485   2.69973
   D214       0.65659   0.00013  -0.00116   0.00604   0.00488   0.66147
   D215      -0.30018  -0.00011   0.00272  -0.01974  -0.01702  -0.31720
   D216       2.83399  -0.00014   0.00397  -0.01957  -0.01560   2.81838
   D217       1.65179  -0.00005   0.00186  -0.01942  -0.01756   1.63423
   D218      -1.49723  -0.00008   0.00310  -0.01924  -0.01614  -1.51337
   D219      -2.42689  -0.00003   0.00182  -0.01840  -0.01658  -2.44347
   D220       0.70728  -0.00006   0.00306  -0.01823  -0.01516   0.69212
   D221       3.13301  -0.00003   0.00150   0.00007   0.00156   3.13457
   D222      -0.00920  -0.00010   0.00078  -0.00182  -0.00104  -0.01024
   D223      -0.00182   0.00000   0.00037  -0.00010   0.00026  -0.00156
   D224       3.13916  -0.00007  -0.00036  -0.00199  -0.00234   3.13682
   D225      -3.13836   0.00005  -0.00120   0.00081  -0.00040  -3.13876
   D226      -0.00284   0.00002  -0.00019   0.00094   0.00076  -0.00208
   D227       0.00752  -0.00003  -0.00040  -0.00120  -0.00160   0.00592
   D228      -3.13352   0.00003   0.00025   0.00052   0.00078  -3.13274
   D229      -0.00950   0.00004   0.00024   0.00191   0.00214  -0.00736
   D230       3.13596  -0.00002   0.00031  -0.00121  -0.00091   3.13505
   D231       0.00730  -0.00004  -0.00003  -0.00168  -0.00171   0.00558
   D232      -3.13796   0.00002  -0.00010   0.00127   0.00118  -3.13678
   D233       0.18446   0.00004  -0.00077  -0.01005  -0.01082   0.17364
   D234       2.31441  -0.00010  -0.00172  -0.01136  -0.01308   2.30133
   D235      -1.89810   0.00001  -0.00109  -0.01078  -0.01186  -1.90996
   D236      -1.98560  -0.00009   0.00070  -0.01156  -0.01085  -1.99645
   D237       0.14435  -0.00022  -0.00025  -0.01287  -0.01312   0.13124
   D238       2.21503  -0.00012   0.00039  -0.01229  -0.01189   2.20313
   D239       2.22936  -0.00002  -0.00032  -0.01013  -0.01045   2.21891
   D240      -1.92387  -0.00015  -0.00127  -0.01144  -0.01271  -1.93658
   D241       0.14680  -0.00005  -0.00063  -0.01086  -0.01149   0.13531
   D242       3.03847   0.00003  -0.00334   0.00988   0.00654   3.04502
   D243      -1.16455  -0.00002  -0.00307   0.00887   0.00581  -1.15874
   D244       0.96172   0.00000  -0.00370   0.00978   0.00608   0.96780
   D245      -1.04249   0.00000  -0.00511   0.01149   0.00637  -1.03612
   D246       1.03767  -0.00004  -0.00484   0.01048   0.00564   1.04331
   D247      -3.11924  -0.00002  -0.00548   0.01139   0.00591  -3.11333
   D248       1.02912   0.00001  -0.00392   0.01057   0.00665   1.03578
   D249       3.10928  -0.00004  -0.00365   0.00956   0.00592   3.11520
   D250      -1.04763  -0.00002  -0.00428   0.01047   0.00619  -1.04144
   D251       0.00476  -0.00001  -0.00006  -0.00048  -0.00054   0.00422
   D252      -3.13167  -0.00008  -0.00021  -0.00211  -0.00232  -3.13399
         Item               Value     Threshold  Converged?
 Maximum Force            0.001457     0.000450     NO 
 RMS     Force            0.000204     0.000300     YES
 Maximum Displacement     0.280305     0.001800     NO 
 RMS     Displacement     0.055536     0.001200     NO 
 Predicted change in Energy=-1.470093D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.327738   -2.594328    0.500450
      2          6           0       -9.170354   -1.378780   -0.415807
      3          6           0      -10.247346   -0.321525   -0.144519
      4          6           0       -7.815169   -0.760034   -0.272167
      5          7           0       -7.042348   -0.345292   -1.248137
      6          6           0       -5.827823    0.215037   -0.772780
      7          6           0       -4.857018    0.710055   -1.808320
      8          7           0       -4.386735    2.101195   -1.596728
      9          6           0       -5.441089    3.133341   -1.800948
     10          6           0       -3.429050    2.415411   -0.592259
     11          8           0       -3.254818    3.567725   -0.214745
     12          7           0       -2.658420    1.344679   -0.049779
     13          6           0       -1.400234    1.723577    0.642226
     14          6           0       -0.227917    1.566201   -0.346881
     15          8           0       -0.253470    0.741898   -1.253580
     16          7           0        0.851601    2.420372   -0.176242
     17          6           0        2.061581    2.298524   -1.032796
     18          6           0        2.419875    3.685292   -1.616263
     19          6           0        2.806618    4.702890   -0.579617
     20          6           0        1.821054    5.493830    0.032462
     21          6           0        2.178859    6.437643    0.998051
     22          6           0        3.519958    6.603086    1.358814
     23          6           0        4.504490    5.822995    0.744808
     24          6           0        4.152542    4.876562   -0.221523
     25          6           0        3.233465    1.691224   -0.235168
     26          6           0        2.996697    0.214767    0.100833
     27          8           0        2.352734    0.204378    1.391109
     28          6           0        4.324188   -0.578156    0.314760
     29          6           0        5.218435   -0.534935   -0.939129
     30          6           0        6.582906   -1.101575   -0.667330
     31          6           0        6.898063   -2.407027   -1.072883
     32          6           0        8.167933   -2.931537   -0.816864
     33          6           0        9.128579   -2.160055   -0.155731
     34          6           0        8.815745   -0.858429    0.249478
     35          6           0        7.548189   -0.328151   -0.003595
     36          7           0        3.985010   -1.977425    0.693008
     37          6           0        3.379388   -2.844118   -0.194124
     38          8           0        3.003852   -2.639428   -1.330429
     39          8           0        3.244576   -4.085403    0.439419
     40          6           0        2.368192   -5.039812   -0.225352
     41          6           0        0.972707   -4.811459    0.210576
     42          6           0        0.501101   -4.137970    1.304558
     43          7           0       -0.903986   -4.095466    1.429149
     44          6           0       -1.505792   -4.730301    0.453751
     45         16           0       -0.367799   -5.428687   -0.715599
     46          6           0       -1.221864    0.816596    1.895776
     47          6           0       -0.907329   -0.640905    1.539225
     48          6           0       -0.162760    1.420799    2.821157
     49          6           0       -5.681591    0.221521    0.584890
     50         16           0       -7.083564   -0.478597    1.329351
     51          1           0      -10.279800   -3.105019    0.309433
     52          1           0       -8.527966   -3.327936    0.340523
     53          1           0       -9.321124   -2.322916    1.563016
     54          1           0       -9.276122   -1.726255   -1.483267
     55          1           0      -10.201072    0.062225    0.881418
     56          1           0      -10.142823    0.535875   -0.821761
     57          1           0      -11.250598   -0.737162   -0.293113
     58          1           0       -3.979502    0.020539   -1.862111
     59          1           0       -5.328811    0.667858   -2.825492
     60          1           0       -5.798043    3.080263   -2.842030
     61          1           0       -5.012842    4.141535   -1.635206
     62          1           0       -6.299103    3.007215   -1.121660
     63          1           0       -2.564316    0.481863   -0.605398
     64          1           0       -1.490105    2.798173    0.979221
     65          1           0        0.932356    3.021587    0.641071
     66          1           0        1.805144    1.612066   -1.892898
     67          1           0        1.550801    4.057113   -2.204715
     68          1           0        3.231266    3.560886   -2.361897
     69          1           0        0.775319    5.381112   -0.253834
     70          1           0        1.409593    7.049255    1.468253
     71          1           0        3.796225    7.339147    2.110576
     72          1           0        5.550362    5.954379    1.018149
     73          1           0        4.926196    4.280191   -0.698931
     74          1           0        3.391639    2.252539    0.711953
     75          1           0        4.171237    1.816850   -0.813631
     76          1           0        2.350118   -0.291475   -0.653673
     77          1           0        1.535236   -0.344781    1.366723
     78          1           0        4.865270   -0.133965    1.193609
     79          1           0        4.718493   -1.079141   -1.774969
     80          1           0        5.302960    0.514110   -1.298972
     81          1           0        6.153917   -3.012272   -1.588633
     82          1           0        8.408754   -3.945086   -1.134524
     83          1           0       10.116606   -2.570105    0.041874
     84          1           0        9.562834   -0.255431    0.763209
     85          1           0        7.313583    0.685316    0.313025
     86          1           0        4.299061   -2.314880    1.600269
     87          1           0        2.779116   -6.005256    0.142509
     88          1           0        2.499642   -4.950864   -1.325669
     89          1           0        1.097951   -3.647592    2.068419
     90          1           0       -2.576620   -4.841456    0.333282
     91          1           0       -2.203625    0.838513    2.440177
     92          1           0       -0.684751   -0.790254    0.473466
     93          1           0       -0.057464   -1.036061    2.108997
     94          1           0       -1.755102   -1.301485    1.765542
     95          1           0       -0.092106    0.850094    3.755783
     96          1           0        0.844439    1.416037    2.376502
     97          1           0       -0.400665    2.452777    3.099680
     98          1           0       -4.847557    0.587116    1.166009
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0656947      0.0282471      0.0210795
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3539.1035342535 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.244229290041     A.U. after   18 cycles
             Convg  =    0.8949D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000096267    0.000093249    0.000181016
      2        6           0.000234326   -0.000096050   -0.000054845
      3        6          -0.000181828    0.000091082    0.000058069
      4        6          -0.000000500    0.000236410   -0.000193484
      5        7          -0.000049041    0.000152595    0.000044398
      6        6           0.000103528   -0.000371299    0.000093826
      7        6          -0.000569372   -0.000021995   -0.000699623
      8        7           0.001226999   -0.000535198    0.000981404
      9        6          -0.000691413    0.000118597   -0.000357244
     10        6          -0.000580822    0.000596371    0.000632910
     11        8           0.000184322   -0.000093969   -0.000166033
     12        7          -0.000022797    0.000170225   -0.000821036
     13        6           0.000374702    0.000025398   -0.000525855
     14        6          -0.000473409   -0.000505333    0.001083448
     15        8           0.000012275    0.000424145   -0.000172779
     16        7          -0.000212853    0.000398396    0.000069323
     17        6           0.000325051   -0.000285719   -0.000133324
     18        6           0.000157497   -0.000060748    0.000172842
     19        6          -0.000023692    0.000058419   -0.000076013
     20        6          -0.000019432    0.000033241   -0.000107872
     21        6           0.000091601   -0.000050442   -0.000002717
     22        6          -0.000032509   -0.000043860   -0.000003117
     23        6          -0.000101764    0.000059518    0.000000197
     24        6           0.000026726   -0.000068399    0.000097823
     25        6           0.000098077   -0.000114177    0.000051561
     26        6          -0.000301126    0.000010528    0.000263369
     27        8           0.000261376   -0.000349224   -0.000116332
     28        6           0.000157596    0.000174370   -0.000061461
     29        6           0.000023828   -0.000005360    0.000110354
     30        6           0.000060954    0.000080756   -0.000061729
     31        6          -0.000165798   -0.000112301    0.000033923
     32        6           0.000050678    0.000142324    0.000006602
     33        6          -0.000044801   -0.000058432    0.000007003
     34        6          -0.000014161   -0.000042753   -0.000001816
     35        6          -0.000091183   -0.000048106    0.000022990
     36        7          -0.000294536    0.000352576   -0.000170404
     37        6          -0.000633312   -0.000623720   -0.000106873
     38        8           0.000121276    0.000200821   -0.000005750
     39        8          -0.000031345    0.000039346    0.000001704
     40        6          -0.000004678    0.000123803    0.000163622
     41        6          -0.000041962    0.000213065    0.000140862
     42        6           0.000010697    0.000105828    0.000090036
     43        7           0.000066461   -0.000197716   -0.000055778
     44        6          -0.000009389    0.000159656    0.000127363
     45       16           0.000073915    0.000006887   -0.000164749
     46        6          -0.000387559    0.000238378    0.000070577
     47        6           0.000428689   -0.000494867   -0.000086266
     48        6           0.000153133   -0.000116667    0.000091897
     49        6          -0.000412724   -0.000046611   -0.000144718
     50       16           0.000183827   -0.000163735    0.000202685
     51        1          -0.000041917   -0.000027820   -0.000051867
     52        1          -0.000014201   -0.000085279   -0.000007269
     53        1          -0.000010800   -0.000023073   -0.000018029
     54        1           0.000093362   -0.000022944   -0.000151795
     55        1           0.000094778    0.000010734    0.000015903
     56        1          -0.000001040   -0.000064415    0.000026732
     57        1           0.000013428   -0.000012003    0.000001146
     58        1          -0.000078814    0.000013148   -0.000066096
     59        1           0.000080274    0.000135814    0.000135226
     60        1          -0.000061926    0.000002597   -0.000023117
     61        1           0.000069622   -0.000023562    0.000105239
     62        1          -0.000054601    0.000039442    0.000086685
     63        1           0.000285580   -0.000383428    0.000169975
     64        1          -0.000042780    0.000045314    0.000007252
     65        1           0.000210532   -0.000020696   -0.000405894
     66        1           0.000002362    0.000080659   -0.000305262
     67        1          -0.000072343    0.000009853    0.000047668
     68        1          -0.000082580   -0.000059190   -0.000116694
     69        1           0.000005748   -0.000028641    0.000016716
     70        1           0.000021632    0.000004525    0.000000477
     71        1           0.000008687   -0.000011794    0.000009365
     72        1           0.000015465   -0.000004259   -0.000000738
     73        1          -0.000017315   -0.000014836    0.000019473
     74        1           0.000184315    0.000083634   -0.000129386
     75        1          -0.000154000    0.000010433   -0.000007353
     76        1           0.000395887    0.000014647   -0.000078749
     77        1          -0.000047520    0.000235046    0.000253003
     78        1          -0.000045706   -0.000102840    0.000057416
     79        1          -0.000081312    0.000175860   -0.000041238
     80        1          -0.000073149   -0.000044663   -0.000090123
     81        1           0.000066135    0.000093183    0.000001584
     82        1           0.000003984   -0.000024358   -0.000008061
     83        1           0.000005272    0.000022672    0.000000786
     84        1           0.000015681   -0.000010961   -0.000006658
     85        1           0.000033806    0.000002047   -0.000009244
     86        1           0.000273650   -0.000118030    0.000115910
     87        1           0.000244471   -0.000114950   -0.000130494
     88        1          -0.000038706    0.000065961    0.000050063
     89        1           0.000013587   -0.000075198    0.000053299
     90        1          -0.000053186   -0.000028348   -0.000043226
     91        1           0.000041918    0.000244809   -0.000045600
     92        1           0.000042041    0.000111664   -0.000035598
     93        1          -0.000349344   -0.000041927   -0.000210981
     94        1          -0.000013684    0.000012289    0.000087366
     95        1          -0.000000757    0.000003739    0.000028482
     96        1          -0.000040569    0.000057629    0.000145249
     97        1          -0.000007380   -0.000007302   -0.000026742
     98        1           0.000222154    0.000075513    0.000065210
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001226999 RMS     0.000218020

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000743646 RMS     0.000121208
 Search for a local minimum.
 Step number  18 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   17   18
 DE= -2.29D-04 DEPred=-1.47D-04 R= 1.56D+00
 SS=  1.41D+00  RLast= 1.63D-01 DXNew= 2.4000D+00 4.8811D-01
 Trust test= 1.56D+00 RLast= 1.63D-01 DXMaxT set to 1.43D+00
     Eigenvalues ---    0.00115   0.00239   0.00323   0.00420   0.00439
     Eigenvalues ---    0.00534   0.00600   0.00652   0.00671   0.00744
     Eigenvalues ---    0.00811   0.00841   0.00916   0.00933   0.00940
     Eigenvalues ---    0.01025   0.01031   0.01125   0.01200   0.01226
     Eigenvalues ---    0.01270   0.01318   0.01373   0.01395   0.01407
     Eigenvalues ---    0.01441   0.01475   0.01560   0.01595   0.01605
     Eigenvalues ---    0.01622   0.01747   0.01757   0.01877   0.01927
     Eigenvalues ---    0.01972   0.01982   0.02017   0.02078   0.02181
     Eigenvalues ---    0.02194   0.02203   0.02211   0.02220   0.02258
     Eigenvalues ---    0.02269   0.02290   0.02328   0.02374   0.02406
     Eigenvalues ---    0.02408   0.02414   0.02448   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02635   0.02700   0.02738
     Eigenvalues ---    0.03041   0.03312   0.03965   0.04069   0.04121
     Eigenvalues ---    0.04182   0.04288   0.04459   0.04492   0.04759
     Eigenvalues ---    0.04792   0.04912   0.04938   0.04976   0.05069
     Eigenvalues ---    0.05137   0.05186   0.05328   0.05420   0.05473
     Eigenvalues ---    0.05521   0.05546   0.05570   0.05685   0.05716
     Eigenvalues ---    0.05802   0.05814   0.05819   0.05892   0.05957
     Eigenvalues ---    0.06196   0.06235   0.06366   0.06434   0.06797
     Eigenvalues ---    0.06884   0.07110   0.07412   0.07552   0.08013
     Eigenvalues ---    0.08086   0.08659   0.09474   0.09793   0.10410
     Eigenvalues ---    0.11961   0.12464   0.12891   0.13093   0.13464
     Eigenvalues ---    0.13631   0.13937   0.14330   0.15719   0.15879
     Eigenvalues ---    0.15923   0.15954   0.15957   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16003   0.16010   0.16020   0.16041   0.16059
     Eigenvalues ---    0.16063   0.16109   0.16177   0.16330   0.16851
     Eigenvalues ---    0.17007   0.17129   0.17474   0.17827   0.18013
     Eigenvalues ---    0.18029   0.18345   0.18881   0.20097   0.20812
     Eigenvalues ---    0.21187   0.21390   0.21742   0.21853   0.21967
     Eigenvalues ---    0.21995   0.22000   0.22000   0.22011   0.22046
     Eigenvalues ---    0.22146   0.22389   0.22864   0.23119   0.23446
     Eigenvalues ---    0.23486   0.23655   0.23724   0.24253   0.24425
     Eigenvalues ---    0.24896   0.24956   0.24976   0.24997   0.25001
     Eigenvalues ---    0.25017   0.25050   0.25083   0.25218   0.25492
     Eigenvalues ---    0.28880   0.29461   0.29575   0.29757   0.29894
     Eigenvalues ---    0.30054   0.30112   0.30282   0.30419   0.30691
     Eigenvalues ---    0.30818   0.31006   0.31341   0.31415   0.31435
     Eigenvalues ---    0.31493   0.31535   0.31605   0.31666   0.31987
     Eigenvalues ---    0.32114   0.32351   0.32384   0.32445   0.32596
     Eigenvalues ---    0.32667   0.32766   0.32783   0.32815   0.32914
     Eigenvalues ---    0.32986   0.33017   0.33051   0.33077   0.33165
     Eigenvalues ---    0.33209   0.33310   0.33394   0.33525   0.33568
     Eigenvalues ---    0.33670   0.33688   0.33794   0.33910   0.33989
     Eigenvalues ---    0.33995   0.34145   0.34229   0.34239   0.34335
     Eigenvalues ---    0.34367   0.34441   0.34495   0.34540   0.34717
     Eigenvalues ---    0.34830   0.35210   0.35915   0.36249   0.36313
     Eigenvalues ---    0.36375   0.36625   0.36820   0.36943   0.37106
     Eigenvalues ---    0.37386   0.38433   0.38674   0.39370   0.40739
     Eigenvalues ---    0.41213   0.41831   0.42378   0.42540   0.42954
     Eigenvalues ---    0.43297   0.43692   0.44242   0.44375   0.45139
     Eigenvalues ---    0.46495   0.47515   0.47652   0.48369   0.48519
     Eigenvalues ---    0.48599   0.48942   0.49440   0.50003   0.50337
     Eigenvalues ---    0.50886   0.51240   0.51395   0.52643   0.56341
     Eigenvalues ---    0.58069   0.59209   0.62175   0.65179   0.72490
     Eigenvalues ---    0.75960   0.78000   0.837601000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    18   17   16   15   14
 RFO step:  Lambda=-4.43943735D-05.
 DIIS coeffs:      2.17556     -1.11117     -0.24341      0.19643     -0.01740
 Iteration  1 RMS(Cart)=  0.21174077 RMS(Int)=  0.00246797
 Iteration  2 RMS(Cart)=  0.00813616 RMS(Int)=  0.00005503
 Iteration  3 RMS(Cart)=  0.00001529 RMS(Int)=  0.00005473
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00005473
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89187   0.00009   0.00041   0.00048   0.00090   2.89277
    R2        2.07329  -0.00006  -0.00027  -0.00049  -0.00076   2.07254
    R3        2.07301  -0.00001   0.00000   0.00001   0.00001   2.07303
    R4        2.07247   0.00000   0.00011   0.00008   0.00019   2.07266
    R5        2.89769  -0.00010   0.00010  -0.00120  -0.00110   2.89660
    R6        2.82829  -0.00003   0.00014  -0.00023  -0.00009   2.82820
    R7        2.13079   0.00004   0.00011   0.00015   0.00026   2.13104
    R8        2.07177   0.00002   0.00036   0.00027   0.00063   2.07240
    R9        2.07416  -0.00001  -0.00014  -0.00027  -0.00041   2.07375
   R10        2.07125   0.00000   0.00022   0.00020   0.00042   2.07167
   R11        2.47963   0.00001  -0.00011  -0.00012  -0.00024   2.47940
   R12        3.36950   0.00016  -0.00101  -0.00023  -0.00124   3.36826
   R13        2.68248   0.00014   0.00019   0.00040   0.00059   2.68307
   R14        2.84079   0.00013  -0.00098  -0.00003  -0.00101   2.83978
   R15        2.58049   0.00001   0.00010  -0.00007   0.00003   2.58052
   R16        2.80369  -0.00039  -0.00080  -0.00213  -0.00293   2.80075
   R17        2.11139   0.00005  -0.00014   0.00026   0.00013   2.11152
   R18        2.12038   0.00003   0.00047   0.00056   0.00103   2.12140
   R19        2.81480  -0.00054   0.00099  -0.00252  -0.00153   2.81327
   R20        2.68903  -0.00050   0.00242   0.00053   0.00294   2.69197
   R21        2.08221   0.00001   0.00009   0.00030   0.00039   2.08260
   R22        2.09352  -0.00003   0.00014  -0.00023  -0.00009   2.09344
   R23        2.08173   0.00000  -0.00034  -0.00052  -0.00086   2.08087
   R24        2.31497   0.00019   0.00046   0.00017   0.00063   2.31561
   R25        2.69551  -0.00074  -0.00434  -0.00620  -0.01055   2.68496
   R26        2.80640  -0.00024   0.00110  -0.00296  -0.00186   2.80454
   R27        1.94744  -0.00045  -0.00394  -0.00355  -0.00750   1.93995
   R28        2.91375  -0.00007   0.00000  -0.00020  -0.00020   2.91355
   R29        2.94326   0.00003  -0.00132   0.00029  -0.00103   2.94223
   R30        2.13497  -0.00006   0.00043  -0.00060  -0.00017   2.13480
   R31        2.31615   0.00041   0.00019   0.00072   0.00090   2.31706
   R32        2.62126  -0.00021  -0.00110  -0.00021  -0.00131   2.61995
   R33        2.81092  -0.00027  -0.00052  -0.00093  -0.00146   2.80946
   R34        1.92342  -0.00002  -0.00148  -0.00060  -0.00208   1.92134
   R35        2.92263   0.00004   0.00143  -0.00148  -0.00005   2.92258
   R36        2.91431   0.00006  -0.00053   0.00044  -0.00009   2.91422
   R37        2.13527   0.00013   0.00039   0.00083   0.00121   2.13649
   R38        2.84070   0.00006   0.00042  -0.00021   0.00021   2.84091
   R39        2.10415  -0.00008  -0.00002  -0.00048  -0.00050   2.10365
   R40        2.09564   0.00011   0.00062   0.00075   0.00137   2.09701
   R41        2.65341   0.00005   0.00040   0.00001   0.00042   2.65383
   R42        2.65229   0.00007   0.00021  -0.00006   0.00014   2.65244
   R43        2.63965   0.00008   0.00000   0.00003   0.00004   2.63968
   R44        2.05992  -0.00001  -0.00019  -0.00029  -0.00048   2.05944
   R45        2.64296   0.00007   0.00007   0.00005   0.00013   2.64309
   R46        2.05879   0.00002   0.00006   0.00004   0.00010   2.05889
   R47        2.64214   0.00005   0.00007   0.00005   0.00012   2.64225
   R48        2.05560   0.00001   0.00008   0.00009   0.00017   2.05577
   R49        2.64116  -0.00003   0.00028  -0.00007   0.00021   2.64137
   R50        2.05783  -0.00001   0.00003  -0.00002   0.00002   2.05785
   R51        2.05461   0.00001  -0.00002   0.00002   0.00000   2.05461
   R52        2.89621   0.00044  -0.00196   0.00238   0.00042   2.89662
   R53        2.10188  -0.00008  -0.00050  -0.00004  -0.00053   2.10134
   R54        2.09565   0.00014  -0.00121   0.00047  -0.00074   2.09491
   R55        2.72514   0.00027   0.00184   0.00157   0.00341   2.72856
   R56        2.94986   0.00036   0.00040   0.00123   0.00163   2.95149
   R57        2.10738   0.00013   0.00062   0.00084   0.00146   2.10884
   R58        1.86162   0.00023   0.00057   0.00202   0.00259   1.86421
   R59        2.91152   0.00022  -0.00191   0.00028  -0.00163   2.90988
   R60        2.81313   0.00012   0.00152   0.00030   0.00182   2.81495
   R61        2.12327   0.00012   0.00035   0.00086   0.00121   2.12449
   R62        2.83883   0.00006   0.00002   0.00014   0.00016   2.83899
   R63        2.10832   0.00017  -0.00022   0.00099   0.00077   2.10909
   R64        2.10187   0.00009  -0.00039   0.00064   0.00025   2.10212
   R65        2.65101   0.00006  -0.00020  -0.00016  -0.00036   2.65065
   R66        2.65269   0.00008   0.00025   0.00028   0.00053   2.65322
   R67        2.64104  -0.00004   0.00034   0.00002   0.00035   2.64140
   R68        2.05804   0.00011  -0.00006   0.00043   0.00038   2.05842
   R69        2.64232   0.00008  -0.00009  -0.00001  -0.00010   2.64222
   R70        2.05814  -0.00002   0.00002  -0.00011  -0.00009   2.05805
   R71        2.64311   0.00005   0.00015   0.00015   0.00029   2.64341
   R72        2.05571  -0.00001   0.00004  -0.00004   0.00000   2.05571
   R73        2.64017   0.00002  -0.00004  -0.00017  -0.00021   2.63996
   R74        2.05769   0.00000  -0.00006  -0.00008  -0.00014   2.05755
   R75        2.05486   0.00002  -0.00003   0.00001  -0.00001   2.05485
   R76        2.60819  -0.00016  -0.00038  -0.00075  -0.00112   2.60707
   R77        1.92309   0.00010  -0.00029   0.00010  -0.00019   1.92291
   R78        2.29438   0.00013  -0.00051   0.00002  -0.00049   2.29389
   R79        2.64585   0.00031   0.00079   0.00179   0.00258   2.64843
   R80        2.75205   0.00034   0.00021   0.00133   0.00154   2.75358
   R81        2.79626   0.00009   0.00015   0.00057   0.00072   2.79698
   R82        2.10113  -0.00027  -0.00002  -0.00094  -0.00096   2.10018
   R83        2.10082   0.00000  -0.00122  -0.00054  -0.00176   2.09906
   R84        2.58609   0.00009   0.00015   0.00047   0.00062   2.58671
   R85        3.29253   0.00004  -0.00014  -0.00039  -0.00053   3.29200
   R86        2.66686   0.00001   0.00006  -0.00043  -0.00037   2.66649
   R87        2.05293   0.00008   0.00025   0.00037   0.00062   2.05355
   R88        2.47589   0.00012   0.00072   0.00088   0.00160   2.47750
   R89        3.35401   0.00000  -0.00141  -0.00169  -0.00311   3.35091
   R90        2.04714  -0.00006   0.00040   0.00005   0.00045   2.04759
   R91        2.89712  -0.00046  -0.00009  -0.00227  -0.00236   2.89476
   R92        2.89263   0.00006  -0.00040   0.00016  -0.00023   2.89240
   R93        2.12181   0.00002  -0.00066  -0.00029  -0.00095   2.12086
   R94        2.07671   0.00007   0.00059   0.00082   0.00140   2.07812
   R95        2.07273   0.00014   0.00030   0.00127   0.00157   2.07430
   R96        2.07552   0.00005  -0.00008   0.00063   0.00055   2.07608
   R97        2.07373   0.00003   0.00004   0.00024   0.00028   2.07401
   R98        2.08058  -0.00002   0.00031   0.00024   0.00055   2.08113
   R99        2.06936   0.00001  -0.00007   0.00003  -0.00005   2.06931
   R100       3.27851   0.00015  -0.00029   0.00036   0.00006   3.27857
   R101       2.04140  -0.00016  -0.00078  -0.00075  -0.00154   2.03987
    A1        1.93343  -0.00003   0.00007   0.00012   0.00018   1.93361
    A2        1.94865  -0.00002  -0.00005  -0.00030  -0.00035   1.94829
    A3        1.96373  -0.00003  -0.00052  -0.00146  -0.00198   1.96175
    A4        1.87129   0.00005   0.00063   0.00095   0.00158   1.87286
    A5        1.86410   0.00004   0.00060   0.00177   0.00237   1.86647
    A6        1.87796   0.00000  -0.00066  -0.00090  -0.00157   1.87639
    A7        1.94927   0.00004   0.00082   0.00106   0.00190   1.95117
    A8        1.94340  -0.00021  -0.00186  -0.00441  -0.00628   1.93712
    A9        1.88851   0.00009  -0.00064   0.00103   0.00039   1.88890
   A10        1.91128   0.00016   0.00224   0.00289   0.00514   1.91641
   A11        1.89029  -0.00008  -0.00044  -0.00082  -0.00126   1.88903
   A12        1.87884  -0.00001  -0.00017   0.00026   0.00008   1.87892
   A13        1.95763   0.00009   0.00119   0.00163   0.00281   1.96044
   A14        1.94180   0.00001   0.00040   0.00014   0.00054   1.94234
   A15        1.93632   0.00000   0.00007  -0.00017  -0.00009   1.93623
   A16        1.87544  -0.00005  -0.00043  -0.00042  -0.00085   1.87459
   A17        1.87364  -0.00006  -0.00179  -0.00197  -0.00375   1.86989
   A18        1.87522   0.00000   0.00044   0.00069   0.00113   1.87634
   A19        2.20505   0.00014   0.00025   0.00133   0.00157   2.20662
   A20        2.12114  -0.00015  -0.00005  -0.00123  -0.00128   2.11985
   A21        1.95682   0.00001  -0.00014  -0.00005  -0.00020   1.95662
   A22        1.96017   0.00000   0.00023   0.00019   0.00043   1.96059
   A23        2.03962  -0.00011  -0.00159  -0.00146  -0.00305   2.03658
   A24        2.01135   0.00001  -0.00034  -0.00020  -0.00054   2.01081
   A25        2.23212   0.00010   0.00197   0.00166   0.00362   2.23575
   A26        1.99898  -0.00047   0.00047  -0.00168  -0.00121   1.99777
   A27        1.91468   0.00018   0.00079   0.00115   0.00193   1.91661
   A28        1.91829   0.00000  -0.00050  -0.00021  -0.00071   1.91758
   A29        1.91406   0.00011  -0.00111  -0.00089  -0.00200   1.91206
   A30        1.87321   0.00028   0.00101   0.00207   0.00309   1.87630
   A31        1.83732  -0.00007  -0.00078  -0.00032  -0.00109   1.83623
   A32        1.98866   0.00013   0.00513   0.00259   0.00817   1.99683
   A33        2.11888  -0.00005   0.00135   0.00012   0.00186   2.12074
   A34        2.00442   0.00008   0.00432   0.00236   0.00714   2.01156
   A35        1.90231  -0.00003  -0.00138  -0.00240  -0.00378   1.89853
   A36        1.91396   0.00007   0.00276   0.00177   0.00454   1.91850
   A37        1.96865  -0.00017  -0.00051  -0.00109  -0.00161   1.96705
   A38        1.88643   0.00005  -0.00036   0.00033  -0.00002   1.88641
   A39        1.90158   0.00009   0.00081   0.00195   0.00275   1.90434
   A40        1.88917   0.00001  -0.00134  -0.00047  -0.00180   1.88737
   A41        2.11878  -0.00029  -0.00049  -0.00151  -0.00200   2.11678
   A42        2.05591   0.00014  -0.00142  -0.00044  -0.00187   2.05404
   A43        2.10837   0.00014   0.00195   0.00178   0.00372   2.11209
   A44        2.03020  -0.00006   0.00717   0.00220   0.00895   2.03915
   A45        2.06322   0.00016   0.00689   0.00661   0.01306   2.07628
   A46        1.96869  -0.00005   0.00455   0.00185   0.00589   1.97458
   A47        1.89567   0.00004   0.00035  -0.00098  -0.00063   1.89504
   A48        1.90021   0.00015   0.00247   0.00120   0.00365   1.90386
   A49        1.89049  -0.00010   0.00153  -0.00029   0.00123   1.89172
   A50        1.94958  -0.00037  -0.00365  -0.00632  -0.00997   1.93961
   A51        1.92720   0.00019  -0.00003   0.00429   0.00426   1.93146
   A52        1.89961   0.00009  -0.00046   0.00221   0.00174   1.90135
   A53        2.12627  -0.00014   0.00100  -0.00041   0.00063   2.12690
   A54        2.03750   0.00009  -0.00076   0.00104   0.00032   2.03782
   A55        2.11926   0.00005  -0.00031  -0.00059  -0.00086   2.11839
   A56        2.10805   0.00001   0.00017  -0.00171  -0.00153   2.10653
   A57        2.12265  -0.00004   0.00001  -0.00011  -0.00009   2.12256
   A58        2.03336   0.00003   0.00145   0.00047   0.00193   2.03530
   A59        1.90948   0.00021   0.00132   0.00264   0.00396   1.91343
   A60        1.93109  -0.00025  -0.00050  -0.00333  -0.00383   1.92726
   A61        1.87914   0.00003   0.00028   0.00031   0.00058   1.87972
   A62        1.95215   0.00007  -0.00008   0.00131   0.00124   1.95339
   A63        1.88614  -0.00006   0.00071   0.00050   0.00121   1.88735
   A64        1.90383   0.00000  -0.00171  -0.00140  -0.00311   1.90072
   A65        1.98933   0.00006   0.00155   0.00049   0.00203   1.99137
   A66        1.89439   0.00002   0.00010   0.00103   0.00113   1.89552
   A67        1.89924   0.00000   0.00001  -0.00069  -0.00068   1.89856
   A68        1.91687   0.00000  -0.00025   0.00074   0.00048   1.91735
   A69        1.92984  -0.00008  -0.00056  -0.00118  -0.00174   1.92810
   A70        1.82678  -0.00001  -0.00106  -0.00043  -0.00149   1.82529
   A71        2.09595   0.00005   0.00032   0.00035   0.00067   2.09662
   A72        2.10183   0.00000  -0.00002  -0.00007  -0.00009   2.10174
   A73        2.08538  -0.00005  -0.00030  -0.00028  -0.00058   2.08480
   A74        2.09687   0.00003   0.00016   0.00023   0.00039   2.09726
   A75        2.09512   0.00001   0.00002   0.00016   0.00018   2.09530
   A76        2.09112  -0.00004  -0.00019  -0.00039  -0.00057   2.09055
   A77        2.09886  -0.00003   0.00006  -0.00010  -0.00004   2.09882
   A78        2.09069   0.00000   0.00009   0.00006   0.00014   2.09084
   A79        2.09363   0.00003  -0.00015   0.00004  -0.00011   2.09352
   A80        2.08971   0.00000  -0.00007  -0.00005  -0.00012   2.08959
   A81        2.09653  -0.00001  -0.00003  -0.00008  -0.00012   2.09641
   A82        2.09694   0.00001   0.00010   0.00014   0.00024   2.09718
   A83        2.09917   0.00000   0.00005  -0.00002   0.00003   2.09920
   A84        2.09296  -0.00001   0.00012   0.00000   0.00012   2.09308
   A85        2.09105   0.00001  -0.00017   0.00002  -0.00015   2.09090
   A86        2.09633   0.00004   0.00010   0.00021   0.00031   2.09664
   A87        2.09724   0.00000   0.00001   0.00008   0.00009   2.09733
   A88        2.08960  -0.00004  -0.00011  -0.00029  -0.00040   2.08920
   A89        1.95558   0.00001   0.00081  -0.00036   0.00045   1.95604
   A90        1.92810  -0.00008   0.00127  -0.00146  -0.00019   1.92791
   A91        1.90517  -0.00001  -0.00119   0.00057  -0.00061   1.90456
   A92        1.89806   0.00002   0.00115  -0.00102   0.00012   1.89818
   A93        1.93278   0.00002  -0.00265   0.00239  -0.00026   1.93252
   A94        1.84081   0.00004   0.00060  -0.00011   0.00049   1.84130
   A95        1.84635  -0.00008   0.00027  -0.00255  -0.00228   1.84407
   A96        1.96927   0.00014  -0.00259   0.00362   0.00102   1.97030
   A97        1.95904  -0.00008  -0.00277  -0.00038  -0.00316   1.95589
   A98        1.82707   0.00000   0.00058  -0.00149  -0.00091   1.82616
   A99        1.92109  -0.00004   0.00243  -0.00258  -0.00015   1.92094
   A100       1.93392   0.00005   0.00238   0.00282   0.00521   1.93913
   A101       1.93097  -0.00004   0.00006   0.00000   0.00006   1.93103
   A102       1.94745   0.00021  -0.00106   0.00394   0.00287   1.95032
   A103       1.89497   0.00011   0.00439   0.00094   0.00534   1.90030
   A104       1.89221  -0.00016  -0.00075  -0.00240  -0.00314   1.88907
   A105       1.94486  -0.00021  -0.00119  -0.00078  -0.00199   1.94287
   A106       1.92407   0.00005  -0.00118   0.00057  -0.00061   1.92346
   A107       1.85727  -0.00001  -0.00010  -0.00263  -0.00272   1.85455
   A108       1.94911   0.00007   0.00017   0.00068   0.00085   1.94996
   A109       1.91340   0.00004   0.00018   0.00072   0.00090   1.91430
   A110       1.91119   0.00004  -0.00081   0.00107   0.00025   1.91145
   A111       1.93753  -0.00011  -0.00002  -0.00178  -0.00180   1.93573
   A112       1.92332  -0.00006   0.00033  -0.00044  -0.00012   1.92320
   A113       1.82527   0.00001   0.00013  -0.00027  -0.00014   1.82513
   A114       2.09758  -0.00002  -0.00015  -0.00022  -0.00037   2.09721
   A115       2.09706   0.00005   0.00015   0.00045   0.00060   2.09766
   A116       2.08855  -0.00004   0.00000  -0.00023  -0.00023   2.08832
   A117       2.09487   0.00004  -0.00006   0.00021   0.00015   2.09502
   A118       2.09504  -0.00005  -0.00009  -0.00045  -0.00055   2.09449
   A119       2.09327   0.00000   0.00015   0.00024   0.00040   2.09367
   A120       2.09879  -0.00001   0.00008  -0.00007   0.00001   2.09880
   A121       2.09063   0.00002  -0.00026  -0.00002  -0.00028   2.09035
   A122       2.09377   0.00000   0.00018   0.00009   0.00027   2.09404
   A123       2.09068   0.00001  -0.00006  -0.00001  -0.00007   2.09062
   A124       2.09660  -0.00003   0.00023  -0.00003   0.00020   2.09680
   A125       2.09590   0.00002  -0.00017   0.00004  -0.00013   2.09577
   A126       2.09863  -0.00002   0.00001  -0.00004  -0.00004   2.09859
   A127       2.09275   0.00003  -0.00009   0.00007  -0.00001   2.09274
   A128       2.09180  -0.00001   0.00008  -0.00003   0.00005   2.09185
   A129       2.09486   0.00002   0.00003   0.00013   0.00016   2.09503
   A130       2.09767  -0.00004   0.00000  -0.00038  -0.00038   2.09729
   A131       2.09065   0.00002  -0.00004   0.00025   0.00021   2.09086
   A132       2.12575   0.00028   0.00195   0.00297   0.00464   2.13039
   A133       2.05771  -0.00016   0.00008  -0.00092  -0.00113   2.05659
   A134       2.09465  -0.00011  -0.00012  -0.00006  -0.00047   2.09417
   A135       2.25417   0.00013   0.00114   0.00154   0.00257   2.25674
   A136       1.88401   0.00011   0.00029   0.00029   0.00047   1.88448
   A137       2.14500  -0.00024  -0.00127  -0.00182  -0.00320   2.14180
   A138       2.01795   0.00022  -0.00138   0.00079  -0.00059   2.01736
   A139       1.90912   0.00032   0.00066   0.00225   0.00291   1.91203
   A140       1.76769  -0.00002  -0.00132  -0.00043  -0.00175   1.76594
   A141       1.90520  -0.00013  -0.00174  -0.00054  -0.00228   1.90292
   A142       1.96608  -0.00021  -0.00075  -0.00277  -0.00352   1.96256
   A143       1.97224   0.00000   0.00162   0.00127   0.00289   1.97513
   A144       1.93182   0.00005   0.00114   0.00012   0.00126   1.93308
   A145       2.26069   0.00000  -0.00092  -0.00107  -0.00199   2.25870
   A146       2.11100   0.00002   0.00111   0.00152   0.00262   2.11362
   A147       1.91149  -0.00002  -0.00018  -0.00045  -0.00064   1.91086
   A148       2.01364   0.00004  -0.00027   0.00019  -0.00009   2.01355
   A149       2.20794   0.00002   0.00026  -0.00003   0.00024   2.20818
   A150       2.06160  -0.00006   0.00000  -0.00016  -0.00016   2.06144
   A151       1.95736  -0.00006   0.00020  -0.00036  -0.00016   1.95719
   A152       1.96778   0.00004  -0.00028   0.00008  -0.00020   1.96758
   A153       2.19758   0.00000  -0.00030  -0.00068  -0.00098   2.19661
   A154       2.11782  -0.00004   0.00058   0.00059   0.00117   2.11899
   A155       1.57448   0.00000   0.00056   0.00051   0.00107   1.57555
   A156       1.97135  -0.00016  -0.00071  -0.00236  -0.00306   1.96829
   A157       1.91340   0.00025  -0.00020   0.00194   0.00173   1.91514
   A158       1.85327  -0.00002   0.00015   0.00098   0.00113   1.85440
   A159       1.95401  -0.00012   0.00001  -0.00160  -0.00159   1.95242
   A160       1.88674   0.00010   0.00154   0.00170   0.00325   1.88999
   A161       1.87986  -0.00004  -0.00077  -0.00045  -0.00122   1.87863
   A162       1.97828  -0.00003   0.00110  -0.00056   0.00053   1.97881
   A163       1.96130   0.00001   0.00002   0.00033   0.00034   1.96164
   A164       1.94497   0.00009   0.00200   0.00319   0.00517   1.95015
   A165       1.87327  -0.00009  -0.00371  -0.00399  -0.00770   1.86557
   A166       1.84880  -0.00004  -0.00028  -0.00161  -0.00189   1.84691
   A167       1.84872   0.00006   0.00068   0.00253   0.00319   1.85191
   A168       1.93280  -0.00003   0.00013  -0.00063  -0.00051   1.93230
   A169       1.96828  -0.00001   0.00042   0.00083   0.00125   1.96953
   A170       1.95565   0.00003  -0.00051   0.00014  -0.00036   1.95529
   A171       1.85753  -0.00004  -0.00076  -0.00240  -0.00316   1.85437
   A172       1.86238   0.00001   0.00096   0.00047   0.00144   1.86382
   A173       1.88130   0.00004  -0.00022   0.00148   0.00126   1.88256
   A174       1.91578   0.00001  -0.00012  -0.00003  -0.00015   1.91563
   A175       2.23843   0.00016   0.00099   0.00137   0.00236   2.24078
   A176       2.12897  -0.00017  -0.00087  -0.00133  -0.00220   2.12677
   A177       1.58064  -0.00002   0.00037   0.00009   0.00047   1.58111
    D1        1.10679  -0.00002   0.00770   0.02318   0.03088   1.13767
    D2       -3.03365   0.00007   0.00985   0.02449   0.03434  -2.99931
    D3       -0.97218   0.00000   0.00816   0.02289   0.03105  -0.94113
    D4       -3.09214   0.00001   0.00850   0.02425   0.03276  -3.05938
    D5       -0.94939   0.00009   0.01065   0.02557   0.03622  -0.91317
    D6        1.11208   0.00002   0.00896   0.02396   0.03293   1.14501
    D7       -0.97839  -0.00003   0.00724   0.02182   0.02906  -0.94933
    D8        1.16436   0.00005   0.00939   0.02314   0.03253   1.19688
    D9       -3.05736  -0.00002   0.00770   0.02153   0.02923  -3.02813
   D10        1.06451  -0.00010   0.00143   0.00706   0.00849   1.07300
   D11       -3.11734  -0.00010   0.00198   0.00774   0.00972  -3.10762
   D12       -1.03071  -0.00008   0.00285   0.00858   0.01144  -1.01927
   D13       -1.09646   0.00002   0.00164   0.00989   0.01153  -1.08493
   D14        1.00488   0.00002   0.00219   0.01057   0.01276   1.01764
   D15        3.09151   0.00004   0.00307   0.01141   0.01447   3.10598
   D16       -3.14076  -0.00002   0.00086   0.00845   0.00930  -3.13146
   D17       -1.03942  -0.00001   0.00141   0.00912   0.01053  -1.02889
   D18        1.04721   0.00000   0.00228   0.00997   0.01224   1.05945
   D19        2.37666  -0.00013  -0.03408  -0.07451  -0.10858   2.26808
   D20       -0.78674  -0.00011  -0.03080  -0.07093  -0.10172  -0.88846
   D21       -1.74211  -0.00011  -0.03272  -0.07414  -0.10687  -1.84898
   D22        1.37768  -0.00008  -0.02945  -0.07056  -0.10001   1.27766
   D23        0.30937  -0.00012  -0.03212  -0.07340  -0.10552   0.20385
   D24       -2.85402  -0.00010  -0.02885  -0.06981  -0.09866  -2.95269
   D25        3.12359   0.00001   0.00232   0.00239   0.00472   3.12831
   D26        0.00206  -0.00001  -0.00069  -0.00089  -0.00158   0.00048
   D27       -3.12632  -0.00002  -0.00197  -0.00277  -0.00473  -3.13105
   D28       -0.00368   0.00000   0.00088   0.00037   0.00125  -0.00244
   D29        3.12997   0.00001   0.00310   0.00120   0.00429   3.13425
   D30        0.00130   0.00001   0.00006   0.00115   0.00122   0.00252
   D31        2.23688   0.00000  -0.01051  -0.00066  -0.01118   2.22570
   D32       -1.88544  -0.00007  -0.01102  -0.00218  -0.01320  -1.89864
   D33        0.12681  -0.00005  -0.01179  -0.00203  -0.01382   0.11299
   D34       -0.91953   0.00000  -0.00706  -0.00063  -0.00770  -0.92723
   D35        1.24134  -0.00006  -0.00757  -0.00215  -0.00972   1.23162
   D36       -3.02960  -0.00004  -0.00834  -0.00200  -0.01034  -3.03993
   D37       -0.00404   0.00000   0.00060  -0.00084  -0.00024  -0.00428
   D38        3.13390   0.00004   0.00290   0.00218   0.00508   3.13898
   D39       -3.13102  -0.00001  -0.00279  -0.00086  -0.00366  -3.13468
   D40        0.00692   0.00004  -0.00049   0.00216   0.00166   0.00858
   D41       -1.19779  -0.00019  -0.01755  -0.02022  -0.03772  -1.23551
   D42        1.31658   0.00010   0.00493  -0.01108  -0.00622   1.31037
   D43        2.92420  -0.00017  -0.01806  -0.01980  -0.03780   2.88639
   D44       -0.84462   0.00012   0.00441  -0.01066  -0.00630  -0.85092
   D45        0.93696  -0.00029  -0.01714  -0.02008  -0.03715   0.89981
   D46       -2.83185   0.00000   0.00533  -0.01093  -0.00565  -2.83750
   D47       -1.07031   0.00008  -0.00768  -0.03972  -0.04739  -1.11771
   D48       -3.13223   0.00001  -0.00805  -0.03973  -0.04777   3.10319
   D49        1.04412   0.00006  -0.00796  -0.03964  -0.04758   0.99654
   D50        2.65607  -0.00014  -0.02743  -0.04740  -0.07485   2.58122
   D51        0.59415  -0.00022  -0.02780  -0.04741  -0.07522   0.51893
   D52       -1.51268  -0.00016  -0.02771  -0.04732  -0.07504  -1.58772
   D53       -2.85861  -0.00021   0.00203   0.00120   0.00329  -2.85532
   D54        0.29997  -0.00012  -0.00117   0.01222   0.01110   0.31107
   D55       -0.34945   0.00010   0.02492   0.01049   0.03536  -0.31409
   D56        2.80913   0.00019   0.02172   0.02151   0.04317   2.85229
   D57        2.80607  -0.00016   0.00138  -0.01609  -0.01460   2.79147
   D58        0.37809  -0.00020  -0.02561  -0.03153  -0.05727   0.32082
   D59       -0.31864  -0.00007  -0.00177  -0.00511  -0.00676  -0.32540
   D60       -2.74663  -0.00011  -0.02877  -0.02055  -0.04942  -2.79605
   D61       -1.69103  -0.00027  -0.01505  -0.02269  -0.03776  -1.72879
   D62        2.46568   0.00006  -0.01231  -0.01511  -0.02744   2.43825
   D63        0.40258  -0.00008  -0.01400  -0.01826  -0.03228   0.37030
   D64        0.77457  -0.00015   0.01141  -0.00617   0.00526   0.77983
   D65       -1.35191   0.00018   0.01415   0.00141   0.01559  -1.33632
   D66        2.86818   0.00005   0.01246  -0.00174   0.01074   2.87892
   D67       -0.51115   0.00008   0.00082  -0.00522  -0.00441  -0.51556
   D68        2.61143  -0.00007   0.00375  -0.00235   0.00140   2.61283
   D69        1.58490   0.00006   0.00185  -0.00829  -0.00643   1.57848
   D70       -1.57570  -0.00009   0.00478  -0.00542  -0.00062  -1.57632
   D71       -2.58175   0.00006  -0.00123  -0.00680  -0.00804  -2.58979
   D72        0.54083  -0.00009   0.00169  -0.00392  -0.00223   0.53860
   D73        1.21533   0.00009  -0.00430   0.00690   0.00259   1.21792
   D74       -2.87571   0.00001  -0.00497   0.00455  -0.00043  -2.87614
   D75       -0.84957   0.00008  -0.00589   0.00551  -0.00038  -0.84995
   D76       -0.87806   0.00018  -0.00408   0.01127   0.00719  -0.87087
   D77        1.31408   0.00009  -0.00475   0.00892   0.00417   1.31826
   D78       -2.94296   0.00016  -0.00567   0.00989   0.00422  -2.93874
   D79       -3.01051   0.00011  -0.00134   0.00849   0.00715  -3.00336
   D80       -0.81837   0.00003  -0.00200   0.00614   0.00413  -0.81423
   D81        1.20778   0.00009  -0.00292   0.00710   0.00418   1.21196
   D82        3.08379   0.00007   0.00455  -0.01636  -0.01181   3.07198
   D83        0.15838   0.00009  -0.00499  -0.00883  -0.01381   0.14457
   D84       -0.07674  -0.00008   0.00748  -0.01349  -0.00602  -0.08276
   D85       -3.00214  -0.00007  -0.00206  -0.00596  -0.00802  -3.01016
   D86        2.26113   0.00029   0.01969   0.06238   0.08207   2.34321
   D87       -1.86364   0.00036   0.02017   0.06360   0.08377  -1.77987
   D88        0.21538   0.00023   0.01797   0.06019   0.07816   0.29354
   D89       -1.08602   0.00026   0.02859   0.05517   0.08377  -1.00225
   D90        1.07239   0.00033   0.02906   0.05640   0.08546   1.15785
   D91       -3.13177   0.00021   0.02687   0.05298   0.07985  -3.05192
   D92        1.11632  -0.00007  -0.01379  -0.01518  -0.02897   1.08735
   D93       -1.02581  -0.00012  -0.01461  -0.01723  -0.03183  -1.05765
   D94       -3.00424  -0.00012  -0.01342  -0.01690  -0.03032  -3.03456
   D95       -1.02963   0.00005  -0.01404  -0.01369  -0.02773  -1.05736
   D96        3.11142   0.00000  -0.01486  -0.01574  -0.03060   3.08082
   D97        1.13299   0.00000  -0.01367  -0.01541  -0.02908   1.10391
   D98       -3.12552   0.00005  -0.01234  -0.01309  -0.02542   3.13224
   D99        1.01552   0.00000  -0.01315  -0.01514  -0.02829   0.98724
   D100      -0.96290   0.00000  -0.01196  -0.01481  -0.02677  -0.98967
   D101       1.21106  -0.00017  -0.00788  -0.01486  -0.02274   1.18833
   D102      -0.90820  -0.00015  -0.01080  -0.01227  -0.02307  -0.93127
   D103      -2.92474  -0.00014  -0.01154  -0.01165  -0.02319  -2.94793
   D104      -2.93849  -0.00002  -0.00659  -0.01293  -0.01952  -2.95801
   D105       1.22543   0.00000  -0.00950  -0.01035  -0.01985   1.20558
   D106      -0.79111   0.00000  -0.01025  -0.00973  -0.01998  -0.81109
   D107      -0.85298  -0.00006  -0.00688  -0.01241  -0.01929  -0.87226
   D108      -2.97224  -0.00004  -0.00979  -0.00982  -0.01961  -2.99186
   D109       1.29441  -0.00003  -0.01054  -0.00920  -0.01974   1.27466
   D110      -1.53824  -0.00010  -0.00670  -0.01315  -0.01985  -1.55809
   D111       1.61020  -0.00010  -0.00617  -0.01369  -0.01986   1.59033
   D112       0.59157  -0.00004  -0.00566  -0.01092  -0.01658   0.57499
   D113      -2.54318  -0.00004  -0.00513  -0.01146  -0.01659  -2.55978
   D114       2.59891  -0.00009  -0.00741  -0.01169  -0.01910   2.57982
   D115      -0.53584  -0.00010  -0.00688  -0.01223  -0.01911  -0.55495
   D116       3.13907   0.00000  -0.00046  -0.00079  -0.00126   3.13782
   D117      -0.01554   0.00000  -0.00051  -0.00083  -0.00134  -0.01688
   D118      -0.00929   0.00000  -0.00099  -0.00026  -0.00124  -0.01054
   D119       3.11928   0.00001  -0.00103  -0.00029  -0.00133   3.11795
   D120      -3.13965   0.00000   0.00031   0.00065   0.00095  -3.13870
   D121       0.00873   0.00000   0.00029  -0.00010   0.00019   0.00892
   D122       0.00874   0.00000   0.00083   0.00010   0.00094   0.00968
   D123      -3.12606  -0.00001   0.00081  -0.00065   0.00017  -3.12589
   D124       0.00268   0.00000   0.00048   0.00022   0.00070   0.00338
   D125       3.14008   0.00000   0.00053   0.00057   0.00110   3.14118
   D126      -3.12592  -0.00001   0.00053   0.00026   0.00078  -3.12514
   D127       0.01147   0.00000   0.00057   0.00061   0.00118   0.01265
   D128       0.00454   0.00000   0.00018  -0.00003   0.00015   0.00469
   D129       3.14094   0.00001   0.00006   0.00047   0.00052   3.14146
   D130      -3.13285  -0.00001   0.00014  -0.00038  -0.00024  -3.13310
   D131       0.00355   0.00000   0.00001   0.00011   0.00012   0.00367
   D132      -0.00509   0.00000  -0.00034  -0.00012  -0.00046  -0.00555
   D133       3.13382   0.00000  -0.00048   0.00013  -0.00035   3.13347
   D134      -3.14149  -0.00001  -0.00021  -0.00062  -0.00083   3.14087
   D135      -0.00258   0.00000  -0.00036  -0.00036  -0.00072  -0.00330
   D136      -0.00157   0.00000  -0.00018   0.00008  -0.00009  -0.00167
   D137       3.13326   0.00001  -0.00016   0.00083   0.00068   3.13393
   D138      -3.14049   0.00000  -0.00003  -0.00017  -0.00020  -3.14069
   D139      -0.00566   0.00001  -0.00001   0.00058   0.00057  -0.00509
   D140      -1.59787   0.00000  -0.02200  -0.04833  -0.07033  -1.66820
   D141       2.69772  -0.00003  -0.02155  -0.04686  -0.06842   2.62930
   D142       0.49763  -0.00015  -0.02042  -0.05331  -0.07373   0.42390
   D143       0.53858  -0.00008  -0.01905  -0.05114  -0.07019   0.46839
   D144      -1.44902  -0.00010  -0.01861  -0.04967  -0.06828  -1.51730
   D145       2.63408  -0.00023  -0.01747  -0.05612  -0.07358   2.56049
   D146       2.55361   0.00000  -0.01915  -0.05053  -0.06968   2.48393
   D147       0.56601  -0.00003  -0.01871  -0.04906  -0.06777   0.49824
   D148      -1.63408  -0.00015  -0.01757  -0.05551  -0.07307  -1.70715
   D149       2.24746   0.00005   0.01300   0.01815   0.03116   2.27862
   D150      -1.95177   0.00018   0.01045   0.02039   0.03085  -1.92092
   D151       0.12730   0.00022   0.01481   0.02157   0.03639   0.16369
   D152      -1.03461  -0.00011   0.01252   0.00148   0.01401  -1.02061
   D153       3.09847  -0.00006   0.01169  -0.00079   0.01089   3.10936
   D154       1.08752  -0.00001   0.00987   0.00309   0.01296   1.10048
   D155      -3.03390  -0.00008   0.01312   0.00363   0.01675  -3.01714
   D156       1.09919  -0.00003   0.01228   0.00136   0.01363   1.11282
   D157      -0.91176   0.00001   0.01047   0.00524   0.01570  -0.89605
   D158       1.17889  -0.00006   0.00868   0.00612   0.01481   1.19371
   D159      -0.97121  -0.00001   0.00785   0.00385   0.01169  -0.95951
   D160      -2.98215   0.00004   0.00603   0.00772   0.01377  -2.96839
   D161       2.98052  -0.00002  -0.00295  -0.00398  -0.00692   2.97359
   D162      -1.14780  -0.00008  -0.00272  -0.00528  -0.00799  -1.15579
   D163       0.84530  -0.00003  -0.00291  -0.00462  -0.00752   0.83778
   D164      -1.18122   0.00012   0.00111  -0.00055   0.00056  -1.18066
   D165       0.97364   0.00006   0.00134  -0.00184  -0.00050   0.97314
   D166       2.96674   0.00012   0.00115  -0.00119  -0.00004   2.96671
   D167       0.87694   0.00001  -0.00050  -0.00394  -0.00444   0.87250
   D168       3.03180  -0.00006  -0.00027  -0.00524  -0.00551   3.02629
   D169      -1.25828   0.00000  -0.00046  -0.00458  -0.00504  -1.26332
   D170       1.17569   0.00020   0.00873   0.03389   0.04261   1.21830
   D171      -2.07404   0.00031   0.02726   0.05497   0.08223  -1.99180
   D172      -0.97597  -0.00001   0.00783   0.02878   0.03661  -0.93936
   D173       2.05749   0.00010   0.02636   0.04987   0.07623   2.13372
   D174      -3.07394   0.00006   0.00999   0.03018   0.04017  -3.03378
   D175      -0.04049   0.00017   0.02852   0.05126   0.07978   0.03930
   D176       1.76353  -0.00001   0.00149   0.00476   0.00625   1.76978
   D177      -1.37572  -0.00001   0.00108   0.00417   0.00525  -1.37046
   D178      -0.37761  -0.00004   0.00115   0.00463   0.00578  -0.37184
   D179       2.76633  -0.00004   0.00074   0.00404   0.00478   2.77110
   D180      -2.39140   0.00005   0.00080   0.00627   0.00707  -2.38433
   D181       0.75254   0.00005   0.00039   0.00568   0.00607   0.75861
   D182      -3.14019   0.00000  -0.00037  -0.00066  -0.00103  -3.14121
   D183       0.00277  -0.00001  -0.00085  -0.00102  -0.00187   0.00091
   D184      -0.00093   0.00000   0.00004  -0.00007  -0.00003  -0.00096
   D185      -3.14115   0.00000  -0.00044  -0.00043  -0.00087   3.14116
   D186       3.14004   0.00000   0.00039   0.00055   0.00095   3.14099
   D187      -0.00413   0.00000   0.00042   0.00072   0.00114  -0.00299
   D188       0.00078   0.00000  -0.00001  -0.00003  -0.00005   0.00073
   D189       3.13979   0.00000   0.00001   0.00014   0.00015   3.13994
   D190       0.00085   0.00000  -0.00006   0.00006   0.00000   0.00085
   D191      -3.14032   0.00000  -0.00009   0.00007  -0.00002  -3.14034
   D192       3.14107   0.00000   0.00042   0.00042   0.00084  -3.14127
   D193      -0.00009   0.00000   0.00039   0.00042   0.00082   0.00072
   D194      -0.00060   0.00000   0.00005   0.00006   0.00011  -0.00050
   D195      -3.14084   0.00000   0.00008   0.00000   0.00009  -3.14075
   D196       3.14056   0.00000   0.00008   0.00005   0.00013   3.14069
   D197       0.00033   0.00000   0.00012   0.00000   0.00011   0.00044
   D198       0.00045   0.00000  -0.00002  -0.00016  -0.00018   0.00027
   D199      -3.14007   0.00000   0.00004  -0.00014  -0.00011  -3.14018
   D200       3.14068   0.00000  -0.00006  -0.00011  -0.00016   3.14052
   D201       0.00016   0.00000   0.00001  -0.00009  -0.00009   0.00008
   D202      -0.00054   0.00000   0.00001   0.00015   0.00015  -0.00039
   D203      -3.13957   0.00000  -0.00002  -0.00002  -0.00004  -3.13961
   D204       3.13998   0.00000  -0.00006   0.00013   0.00007   3.14005
   D205       0.00095   0.00000  -0.00008  -0.00003  -0.00012   0.00084
   D206      -0.04189  -0.00002   0.00802   0.02202   0.03004  -0.01185
   D207       3.10046   0.00029   0.03187   0.01648   0.04837  -3.13436
   D208      -3.07311  -0.00013  -0.01091   0.00054  -0.01038  -3.08349
   D209       0.06924   0.00018   0.01294  -0.00500   0.00795   0.07719
   D210       2.91436  -0.00023  -0.01123   0.00904  -0.00216   2.91220
   D211      -0.22654   0.00005   0.01081   0.00392   0.01470  -0.21184
   D212      -1.50465  -0.00009   0.00643  -0.00011   0.00631  -1.49833
   D213       2.69973   0.00002   0.00769   0.00231   0.01000   2.70973
   D214       0.66147   0.00002   0.00774   0.00260   0.01034   0.67181
   D215      -0.31720  -0.00008  -0.01729  -0.04546  -0.06275  -0.37996
   D216       2.81838  -0.00011  -0.01564  -0.04681  -0.06244   2.75594
   D217       1.63423  -0.00002  -0.01892  -0.04617  -0.06508   1.56915
   D218      -1.51337  -0.00005  -0.01726  -0.04751  -0.06477  -1.57813
   D219      -2.44347  -0.00013  -0.01665  -0.04726  -0.06390  -2.50737
   D220       0.69212  -0.00016  -0.01499  -0.04860  -0.06359   0.62853
   D221       3.13457  -0.00003   0.00199   0.00032   0.00232   3.13689
   D222      -0.01024  -0.00002  -0.00085  -0.00025  -0.00110  -0.01134
   D223      -0.00156   0.00000   0.00048   0.00154   0.00202   0.00047
   D224       3.13682   0.00001  -0.00237   0.00097  -0.00139   3.13542
   D225      -3.13876   0.00000  -0.00058  -0.00242  -0.00300   3.14143
   D226      -0.00208  -0.00003   0.00077  -0.00352  -0.00275  -0.00483
   D227       0.00592   0.00004  -0.00202   0.00229   0.00027   0.00619
   D228      -3.13274   0.00004   0.00057   0.00282   0.00339  -3.12935
   D229      -0.00736  -0.00006   0.00256  -0.00501  -0.00245  -0.00981
   D230       3.13505   0.00003  -0.00099   0.00290   0.00191   3.13696
   D231       0.00558   0.00005  -0.00197   0.00503   0.00306   0.00864
   D232      -3.13678  -0.00004   0.00139  -0.00247  -0.00108  -3.13787
   D233       0.17364  -0.00002  -0.01369  -0.04615  -0.05984   0.11380
   D234       2.30133  -0.00015  -0.01776  -0.05160  -0.06936   2.23197
   D235      -1.90996  -0.00001  -0.01552  -0.04597  -0.06149  -1.97145
   D236      -1.99645  -0.00013  -0.01288  -0.04564  -0.05853  -2.05498
   D237       0.13124  -0.00027  -0.01695  -0.05109  -0.06805   0.06318
   D238       2.20313  -0.00013  -0.01471  -0.04547  -0.06018   2.14295
   D239       2.21891  -0.00007  -0.01292  -0.04523  -0.05815   2.16077
   D240      -1.93658  -0.00021  -0.01699  -0.05068  -0.06767  -2.00426
   D241       0.13531  -0.00006  -0.01475  -0.04505  -0.05980   0.07551
   D242       3.04502   0.00005   0.00399   0.01120   0.01519   3.06021
   D243      -1.15874  -0.00002   0.00339   0.00826   0.01165  -1.14709
   D244       0.96780   0.00004   0.00303   0.01093   0.01396   0.98176
   D245      -1.03612  -0.00005   0.00293   0.00841   0.01134  -1.02478
   D246       1.04331  -0.00013   0.00232   0.00548   0.00780   1.05110
   D247      -3.11333  -0.00006   0.00196   0.00814   0.01010  -3.10323
   D248       1.03578  -0.00003   0.00433   0.00928   0.01361   1.04939
   D249       3.11520  -0.00010   0.00373   0.00634   0.01007   3.12528
   D250      -1.04144  -0.00004   0.00337   0.00901   0.01238  -1.02906
   D251       0.00422   0.00000  -0.00080   0.00028  -0.00053   0.00370
   D252      -3.13399  -0.00004  -0.00292  -0.00253  -0.00545  -3.13944
         Item               Value     Threshold  Converged?
 Maximum Force            0.000744     0.000450     NO 
 RMS     Force            0.000121     0.000300     YES
 Maximum Displacement     0.874402     0.001800     NO 
 RMS     Displacement     0.213322     0.001200     NO 
 Predicted change in Energy=-3.219838D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.100933   -2.595506    0.449496
      2          6           0       -9.000903   -1.327411   -0.402111
      3          6           0      -10.088353   -0.310283   -0.038220
      4          6           0       -7.650650   -0.696167   -0.267154
      5          7           0       -6.866757   -0.315925   -1.248163
      6          6           0       -5.658361    0.263743   -0.779486
      7          6           0       -4.681899    0.725879   -1.824090
      8          7           0       -4.230182    2.128385   -1.664307
      9          6           0       -5.271026    3.148407   -1.968417
     10          6           0       -3.292311    2.498431   -0.657952
     11          8           0       -3.141884    3.668868   -0.327846
     12          7           0       -2.513134    1.466020   -0.069952
     13          6           0       -1.260346    1.877415    0.611095
     14          6           0       -0.077708    1.636096   -0.348192
     15          8           0       -0.099981    0.747028   -1.192269
     16          7           0        1.011103    2.485157   -0.222702
     17          6           0        2.234198    2.276988   -1.041845
     18          6           0        2.699599    3.628057   -1.633338
     19          6           0        3.085626    4.649883   -0.600431
     20          6           0        2.118859    5.524662   -0.078599
     21          6           0        2.475767    6.471404    0.884479
     22          6           0        3.798042    6.557161    1.332235
     23          6           0        4.764991    5.694135    0.807624
     24          6           0        4.413513    4.744116   -0.155514
     25          6           0        3.338297    1.606376   -0.199566
     26          6           0        2.982153    0.162654    0.172436
     27          8           0        2.398266    0.232739    1.491142
     28          6           0        4.239299   -0.747868    0.345483
     29          6           0        5.092080   -0.792540   -0.935879
     30          6           0        6.411160   -1.472667   -0.702536
     31          6           0        6.601127   -2.801055   -1.110908
     32          6           0        7.829330   -3.431444   -0.892093
     33          6           0        8.872634   -2.743144   -0.265405
     34          6           0        8.684683   -1.418477    0.142834
     35          6           0        7.459617   -0.782743   -0.073228
     36          7           0        3.795068   -2.111483    0.748160
     37          6           0        3.127002   -2.950205   -0.119902
     38          8           0        2.790572   -2.756569   -1.270035
     39          8           0        2.844419   -4.141790    0.561598
     40          6           0        1.888753   -5.027981   -0.090019
     41          6           0        0.512208   -4.632480    0.283331
     42          6           0        0.077189   -3.915175    1.364959
     43          7           0       -1.316150   -3.701395    1.427855
     44          6           0       -1.946271   -4.249949    0.417486
     45         16           0       -0.850321   -5.069009   -0.710501
     46          6           0       -1.098166    1.051492    1.920932
     47          6           0       -0.786355   -0.424755    1.656335
     48          6           0       -0.043241    1.705255    2.816724
     49          6           0       -5.528000    0.318542    0.578724
     50         16           0       -6.937629   -0.357578    1.330947
     51          1           0      -10.033544   -3.132983    0.239282
     52          1           0       -8.273246   -3.285944    0.245442
     53          1           0       -9.092381   -2.378706    1.524626
     54          1           0       -9.136432   -1.617167   -1.483490
     55          1           0      -10.012226    0.026498    1.002676
     56          1           0      -10.030364    0.580476   -0.676522
     57          1           0      -11.087656   -0.742737   -0.165543
     58          1           0       -3.794720    0.046781   -1.840078
     59          1           0       -5.141951    0.633424   -2.843909
     60          1           0       -5.541607    3.072362   -3.034037
     61          1           0       -4.868116    4.164374   -1.787603
     62          1           0       -6.178182    3.025472   -1.356465
     63          1           0       -2.430397    0.566534   -0.557738
     64          1           0       -1.341800    2.972601    0.875913
     65          1           0        1.084147    3.148358    0.544480
     66          1           0        1.961210    1.592705   -1.899427
     67          1           0        1.887702    4.031479   -2.279323
     68          1           0        3.543652    3.441589   -2.329194
     69          1           0        1.089570    5.474822   -0.433220
     70          1           0        1.720958    7.147366    1.284962
     71          1           0        4.073549    7.295409    2.082263
     72          1           0        5.796974    5.763142    1.148352
     73          1           0        5.174329    4.082495   -0.562373
     74          1           0        3.518464    2.182248    0.734467
     75          1           0        4.294582    1.642808   -0.759157
     76          1           0        2.255340   -0.287875   -0.544580
     77          1           0        1.545651   -0.262590    1.520695
     78          1           0        4.847296   -0.348930    1.202853
     79          1           0        4.521084   -1.299409   -1.749932
     80          1           0        5.254576    0.242221   -1.310433
     81          1           0        5.791506   -3.341880   -1.599302
     82          1           0        7.972445   -4.462589   -1.211992
     83          1           0        9.827995   -3.235309   -0.096746
     84          1           0        9.496207   -0.880183    0.629840
     85          1           0        7.321998    0.247764    0.245373
     86          1           0        4.052462   -2.440324    1.676080
     87          1           0        2.179019   -6.011087    0.339381
     88          1           0        2.066662   -5.009256   -1.186295
     89          1           0        0.693830   -3.510646    2.163087
     90          1           0       -3.016217   -4.225810    0.248097
     91          1           0       -2.083302    1.113118    2.455059
     92          1           0       -0.612945   -0.650522    0.594130
     93          1           0        0.099862   -0.769749    2.204498
     94          1           0       -1.612243   -1.077638    1.970344
     95          1           0        0.025227    1.183705    3.779971
     96          1           0        0.966725    1.676982    2.378547
     97          1           0       -0.283741    2.750133    3.039181
     98          1           0       -4.705154    0.709271    1.157920
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0661859      0.0292373      0.0217289
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3559.8278576834 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.244633715388     A.U. after   20 cycles
             Convg  =    0.8575D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000037246   -0.000162995    0.000139678
      2        6           0.000142273   -0.000013636   -0.000129684
      3        6          -0.000047490   -0.000038469    0.000246224
      4        6          -0.000000936    0.000249415   -0.000242634
      5        7           0.000037416    0.000172024    0.000036098
      6        6           0.000684891   -0.000044283    0.000260674
      7        6          -0.000583763    0.000144295   -0.000957119
      8        7          -0.000227191   -0.002297182    0.000688243
      9        6          -0.000614139    0.000331720    0.000378145
     10        6           0.001289371    0.001918951   -0.002174469
     11        8          -0.000072478   -0.000170046    0.000014775
     12        7          -0.000336075   -0.001296197    0.001562157
     13        6           0.000268059   -0.000203095   -0.000998364
     14        6          -0.000235028    0.000325013    0.000500527
     15        8           0.000054027    0.000113289   -0.000095110
     16        7           0.000318990    0.000440322   -0.000871825
     17        6          -0.000259409   -0.000144482   -0.000170631
     18        6           0.000106886    0.000158618    0.000179826
     19        6          -0.000052321   -0.000170335    0.000020206
     20        6          -0.000179483    0.000178753   -0.000104954
     21        6          -0.000006964   -0.000101328    0.000007058
     22        6          -0.000007792    0.000044876   -0.000003250
     23        6          -0.000008280    0.000143839   -0.000040301
     24        6           0.000140156   -0.000100414    0.000101772
     25        6          -0.000480982   -0.000136231   -0.000110223
     26        6          -0.000290128    0.000031001    0.001502503
     27        8          -0.001390800   -0.000700101   -0.001636115
     28        6          -0.000098153    0.000322305    0.000303092
     29        6          -0.000134518   -0.000193704   -0.000278333
     30        6          -0.000035148   -0.000172939   -0.000095090
     31        6          -0.000313558   -0.000052877    0.000162985
     32        6           0.000167036    0.000127824   -0.000047525
     33        6          -0.000022194   -0.000080874   -0.000017649
     34        6          -0.000031204    0.000038231    0.000010578
     35        6           0.000053252    0.000051386   -0.000021684
     36        7           0.000023750   -0.000139402   -0.000472542
     37        6           0.002136520   -0.000407866   -0.000023838
     38        8          -0.000826583    0.000353719   -0.000154258
     39        8          -0.000250227    0.000145192   -0.000056476
     40        6          -0.000008653   -0.000385700    0.000161532
     41        6          -0.000208199   -0.000223400   -0.000065889
     42        6          -0.000060874    0.000240610    0.000407768
     43        7           0.000012585    0.000306324    0.000156003
     44        6          -0.000004335   -0.000284888   -0.000065026
     45       16          -0.000208993    0.000114746   -0.000127249
     46        6           0.000186632   -0.000094565    0.000363444
     47        6           0.000350283    0.000279904    0.000040986
     48        6          -0.000072226   -0.000435358    0.000062766
     49        6          -0.000234876    0.000172958   -0.000374109
     50       16           0.000258683   -0.000305954    0.000488459
     51        1           0.000025376    0.000010254    0.000026597
     52        1           0.000046744    0.000070740   -0.000020828
     53        1          -0.000052556    0.000008977   -0.000022429
     54        1           0.000043066    0.000015378   -0.000054875
     55        1          -0.000086227    0.000079174   -0.000008146
     56        1           0.000013395   -0.000034385    0.000005530
     57        1          -0.000056987    0.000068903   -0.000142403
     58        1          -0.000109854    0.000086265    0.000079618
     59        1           0.000078703   -0.000116219    0.000182988
     60        1           0.000140873   -0.000006077   -0.000037766
     61        1          -0.000128533   -0.000055910    0.000089652
     62        1           0.000173848    0.000140267    0.000151019
     63        1          -0.000523759    0.000992422   -0.000012310
     64        1          -0.000084209    0.000161890   -0.000015819
     65        1           0.000246088   -0.000655615   -0.000136489
     66        1           0.000196855   -0.000222486   -0.000334523
     67        1           0.000053344    0.000021890    0.000168541
     68        1           0.000096624   -0.000086811    0.000032767
     69        1           0.000044598    0.000022265    0.000043712
     70        1          -0.000000178    0.000019714   -0.000015411
     71        1          -0.000017034    0.000014559   -0.000001299
     72        1           0.000004109   -0.000020830    0.000019533
     73        1          -0.000049411    0.000034116    0.000033097
     74        1           0.000207725   -0.000085115    0.000137109
     75        1          -0.000331438   -0.000174941   -0.000167471
     76        1           0.000131802   -0.000109876    0.000396350
     77        1           0.000607194    0.000800382    0.000947946
     78        1          -0.000013872   -0.000011265   -0.000065794
     79        1           0.000046093    0.000266225   -0.000117209
     80        1          -0.000106561   -0.000033841   -0.000026883
     81        1           0.000067523    0.000116336   -0.000033787
     82        1          -0.000009134   -0.000035968   -0.000004079
     83        1           0.000041056    0.000035169   -0.000005967
     84        1           0.000007232   -0.000014334    0.000000750
     85        1           0.000002990    0.000024139    0.000010273
     86        1           0.000292326   -0.000189363    0.000107632
     87        1          -0.000038921    0.000060080    0.000038396
     88        1          -0.000007761    0.000325622   -0.000114523
     89        1           0.000043787    0.000100634   -0.000142657
     90        1          -0.000099076   -0.000055837    0.000087608
     91        1           0.000251336    0.000496067    0.000073303
     92        1           0.000580566    0.000600256   -0.000103073
     93        1          -0.001045362   -0.000572707   -0.000011947
     94        1           0.000384795   -0.000130254    0.000213526
     95        1           0.000162917   -0.000087593    0.000006592
     96        1           0.000007935    0.000279736    0.000240839
     97        1          -0.000035623   -0.000028708   -0.000015984
     98        1          -0.000092969   -0.000172320    0.000057143
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002297182 RMS     0.000412295

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003009010 RMS     0.000424675
 Search for a local minimum.
 Step number  19 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   18   19
 DE= -4.04D-04 DEPred=-3.22D-04 R= 1.26D+00
 SS=  1.41D+00  RLast= 5.59D-01 DXNew= 2.4000D+00 1.6756D+00
 Trust test= 1.26D+00 RLast= 5.59D-01 DXMaxT set to 1.68D+00
     Eigenvalues ---    0.00065   0.00187   0.00323   0.00388   0.00434
     Eigenvalues ---    0.00531   0.00599   0.00654   0.00677   0.00744
     Eigenvalues ---    0.00810   0.00841   0.00917   0.00936   0.00951
     Eigenvalues ---    0.01028   0.01049   0.01122   0.01212   0.01220
     Eigenvalues ---    0.01270   0.01341   0.01372   0.01393   0.01416
     Eigenvalues ---    0.01439   0.01512   0.01559   0.01590   0.01600
     Eigenvalues ---    0.01680   0.01738   0.01748   0.01872   0.01926
     Eigenvalues ---    0.01971   0.01990   0.02048   0.02078   0.02194
     Eigenvalues ---    0.02194   0.02203   0.02213   0.02220   0.02258
     Eigenvalues ---    0.02269   0.02290   0.02328   0.02374   0.02406
     Eigenvalues ---    0.02408   0.02414   0.02448   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02635   0.02700   0.02737
     Eigenvalues ---    0.03129   0.03386   0.03981   0.04065   0.04116
     Eigenvalues ---    0.04174   0.04259   0.04453   0.04483   0.04764
     Eigenvalues ---    0.04794   0.04911   0.04944   0.04973   0.05104
     Eigenvalues ---    0.05148   0.05216   0.05343   0.05413   0.05455
     Eigenvalues ---    0.05509   0.05543   0.05555   0.05697   0.05712
     Eigenvalues ---    0.05799   0.05813   0.05855   0.05891   0.05959
     Eigenvalues ---    0.06181   0.06348   0.06411   0.06432   0.06849
     Eigenvalues ---    0.06951   0.07115   0.07509   0.07589   0.08028
     Eigenvalues ---    0.08567   0.09100   0.09514   0.09820   0.10402
     Eigenvalues ---    0.11979   0.12483   0.12899   0.13108   0.13465
     Eigenvalues ---    0.13869   0.13946   0.14337   0.15721   0.15882
     Eigenvalues ---    0.15942   0.15965   0.15989   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16003
     Eigenvalues ---    0.16009   0.16012   0.16035   0.16042   0.16062
     Eigenvalues ---    0.16110   0.16127   0.16189   0.16419   0.16881
     Eigenvalues ---    0.17028   0.17174   0.17529   0.17947   0.17997
     Eigenvalues ---    0.18191   0.18353   0.18843   0.20180   0.21044
     Eigenvalues ---    0.21241   0.21544   0.21709   0.21854   0.21984
     Eigenvalues ---    0.22000   0.22000   0.22003   0.22035   0.22122
     Eigenvalues ---    0.22158   0.22595   0.22981   0.23215   0.23447
     Eigenvalues ---    0.23492   0.23651   0.23723   0.24255   0.24459
     Eigenvalues ---    0.24932   0.24972   0.24993   0.25001   0.25014
     Eigenvalues ---    0.25038   0.25080   0.25202   0.25219   0.25528
     Eigenvalues ---    0.28880   0.29461   0.29682   0.29781   0.29898
     Eigenvalues ---    0.30085   0.30182   0.30287   0.30477   0.30737
     Eigenvalues ---    0.30970   0.31202   0.31342   0.31416   0.31435
     Eigenvalues ---    0.31512   0.31559   0.31663   0.31770   0.31989
     Eigenvalues ---    0.32134   0.32377   0.32445   0.32475   0.32607
     Eigenvalues ---    0.32679   0.32765   0.32783   0.32817   0.32946
     Eigenvalues ---    0.32987   0.33023   0.33063   0.33141   0.33183
     Eigenvalues ---    0.33300   0.33389   0.33411   0.33555   0.33571
     Eigenvalues ---    0.33671   0.33693   0.33824   0.33910   0.33991
     Eigenvalues ---    0.33997   0.34162   0.34229   0.34282   0.34335
     Eigenvalues ---    0.34368   0.34445   0.34495   0.34541   0.34717
     Eigenvalues ---    0.34822   0.35256   0.36024   0.36251   0.36313
     Eigenvalues ---    0.36376   0.36630   0.36835   0.36948   0.37153
     Eigenvalues ---    0.38156   0.38602   0.38827   0.39662   0.40835
     Eigenvalues ---    0.41442   0.41874   0.42539   0.42565   0.42952
     Eigenvalues ---    0.43302   0.43657   0.44242   0.45117   0.45741
     Eigenvalues ---    0.47291   0.47542   0.47650   0.48371   0.48518
     Eigenvalues ---    0.48602   0.48936   0.49451   0.50077   0.50671
     Eigenvalues ---    0.50944   0.51244   0.51444   0.52769   0.56351
     Eigenvalues ---    0.58333   0.59216   0.62584   0.65192   0.75955
     Eigenvalues ---    0.77929   0.79648   0.837571000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    19   18   17   16   15
 RFO step:  Lambda=-1.58071080D-04.
 DIIS coeffs:      0.73299      1.42650     -1.21266      0.00319      0.04998
 Iteration  1 RMS(Cart)=  0.17584556 RMS(Int)=  0.00258286
 Iteration  2 RMS(Cart)=  0.00651389 RMS(Int)=  0.00005547
 Iteration  3 RMS(Cart)=  0.00000872 RMS(Int)=  0.00005522
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00005522
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89277   0.00010   0.00011   0.00119   0.00130   2.89407
    R2        2.07254   0.00003  -0.00009  -0.00060  -0.00070   2.07184
    R3        2.07303  -0.00003  -0.00001  -0.00003  -0.00004   2.07299
    R4        2.07266  -0.00003   0.00003   0.00015   0.00018   2.07283
    R5        2.89660  -0.00021   0.00050  -0.00172  -0.00121   2.89538
    R6        2.82820   0.00001   0.00031  -0.00063  -0.00032   2.82788
    R7        2.13104   0.00004   0.00000   0.00038   0.00038   2.13143
    R8        2.07240  -0.00009   0.00010   0.00047   0.00058   2.07298
    R9        2.07375   0.00000   0.00007  -0.00051  -0.00044   2.07330
   R10        2.07167  -0.00002   0.00001   0.00044   0.00045   2.07212
   R11        2.47940   0.00008   0.00005  -0.00045  -0.00040   2.47900
   R12        3.36826   0.00039  -0.00028  -0.00007  -0.00035   3.36791
   R13        2.68307   0.00015  -0.00017   0.00117   0.00101   2.68408
   R14        2.83978   0.00062  -0.00039   0.00014  -0.00025   2.83953
   R15        2.58052  -0.00009   0.00006  -0.00013  -0.00008   2.58044
   R16        2.80075  -0.00007  -0.00019  -0.00269  -0.00288   2.79787
   R17        2.11152   0.00014  -0.00022   0.00055   0.00033   2.11185
   R18        2.12140  -0.00019   0.00008   0.00068   0.00076   2.12216
   R19        2.81327  -0.00071   0.00102  -0.00312  -0.00210   2.81118
   R20        2.69197  -0.00199   0.00077  -0.00049   0.00028   2.69226
   R21        2.08260   0.00002   0.00001   0.00042   0.00043   2.08302
   R22        2.09344   0.00001   0.00012  -0.00008   0.00004   2.09348
   R23        2.08087   0.00024  -0.00004  -0.00038  -0.00042   2.08045
   R24        2.31561   0.00012   0.00037   0.00030   0.00068   2.31628
   R25        2.68496   0.00137  -0.00095  -0.00799  -0.00894   2.67602
   R26        2.80454  -0.00039   0.00170  -0.00380  -0.00210   2.80244
   R27        1.93995   0.00110  -0.00137  -0.00475  -0.00612   1.93383
   R28        2.91355   0.00064   0.00002  -0.00006  -0.00003   2.91352
   R29        2.94223   0.00072  -0.00049  -0.00032  -0.00081   2.94142
   R30        2.13480  -0.00016   0.00036  -0.00078  -0.00042   2.13438
   R31        2.31706   0.00009   0.00028   0.00059   0.00086   2.31792
   R32        2.61995   0.00078  -0.00084  -0.00026  -0.00110   2.61885
   R33        2.80946   0.00076  -0.00027  -0.00022  -0.00049   2.80897
   R34        1.92134   0.00067  -0.00059  -0.00069  -0.00128   1.92006
   R35        2.92258  -0.00047   0.00107  -0.00093   0.00014   2.92272
   R36        2.91422   0.00117  -0.00013   0.00077   0.00064   2.91486
   R37        2.13649  -0.00018   0.00036   0.00016   0.00052   2.13700
   R38        2.84091  -0.00008   0.00037   0.00007   0.00045   2.84135
   R39        2.10365  -0.00006   0.00000  -0.00051  -0.00051   2.10314
   R40        2.09701  -0.00012   0.00033   0.00092   0.00124   2.09825
   R41        2.65383  -0.00019   0.00024   0.00018   0.00042   2.65424
   R42        2.65244  -0.00008   0.00020   0.00005   0.00025   2.65268
   R43        2.63968   0.00004   0.00003   0.00021   0.00025   2.63993
   R44        2.05944   0.00004  -0.00002  -0.00028  -0.00031   2.05913
   R45        2.64309  -0.00002   0.00008   0.00014   0.00022   2.64331
   R46        2.05889  -0.00001   0.00001   0.00015   0.00017   2.05906
   R47        2.64225  -0.00003   0.00007   0.00011   0.00018   2.64243
   R48        2.05577  -0.00002   0.00002   0.00016   0.00018   2.05595
   R49        2.64137  -0.00015   0.00017  -0.00015   0.00002   2.64139
   R50        2.05785   0.00001  -0.00001   0.00008   0.00006   2.05791
   R51        2.05461   0.00006  -0.00002   0.00013   0.00011   2.05472
   R52        2.89662   0.00082  -0.00176   0.00178   0.00002   2.89664
   R53        2.10134   0.00016  -0.00036   0.00006  -0.00030   2.10104
   R54        2.09491   0.00038  -0.00105   0.00091  -0.00014   2.09477
   R55        2.72856  -0.00098   0.00093   0.00152   0.00245   2.73101
   R56        2.95149  -0.00057   0.00001   0.00000   0.00001   2.95150
   R57        2.10884  -0.00014   0.00038   0.00058   0.00096   2.10980
   R58        1.86421   0.00129  -0.00024   0.00443   0.00420   1.86841
   R59        2.90988   0.00051  -0.00150   0.00079  -0.00072   2.90917
   R60        2.81495  -0.00022   0.00094   0.00030   0.00124   2.81619
   R61        2.12449  -0.00001   0.00004   0.00133   0.00137   2.12586
   R62        2.83899   0.00005   0.00000   0.00017   0.00017   2.83916
   R63        2.10909   0.00029  -0.00029   0.00157   0.00128   2.11036
   R64        2.10212   0.00003  -0.00054   0.00080   0.00025   2.10238
   R65        2.65065   0.00015  -0.00004  -0.00006  -0.00010   2.65055
   R66        2.65322  -0.00011   0.00016   0.00023   0.00039   2.65361
   R67        2.64140  -0.00018   0.00014  -0.00005   0.00009   2.64149
   R68        2.05842   0.00013   0.00001   0.00059   0.00060   2.05902
   R69        2.64222   0.00004   0.00006  -0.00003   0.00003   2.64225
   R70        2.05805  -0.00003   0.00000  -0.00012  -0.00011   2.05793
   R71        2.64341  -0.00001   0.00004   0.00033   0.00037   2.64377
   R72        2.05571  -0.00004   0.00002  -0.00007  -0.00005   2.05566
   R73        2.63996   0.00001   0.00001  -0.00007  -0.00006   2.63990
   R74        2.05755   0.00001   0.00000  -0.00010  -0.00010   2.05745
   R75        2.05485  -0.00002   0.00004  -0.00009  -0.00005   2.05479
   R76        2.60707   0.00033  -0.00019  -0.00102  -0.00121   2.60586
   R77        1.92291   0.00013   0.00002  -0.00003  -0.00001   1.92290
   R78        2.29389   0.00023  -0.00004  -0.00061  -0.00066   2.29323
   R79        2.64843   0.00039  -0.00017   0.00236   0.00218   2.65061
   R80        2.75358   0.00004  -0.00035   0.00122   0.00087   2.75445
   R81        2.79698  -0.00050   0.00015  -0.00073  -0.00058   2.79640
   R82        2.10018   0.00007  -0.00028  -0.00032  -0.00060   2.09958
   R83        2.09906   0.00026  -0.00042  -0.00115  -0.00156   2.09750
   R84        2.58671  -0.00021  -0.00005   0.00062   0.00057   2.58728
   R85        3.29200  -0.00006   0.00008  -0.00053  -0.00044   3.29156
   R86        2.66649  -0.00007  -0.00001  -0.00013  -0.00013   2.66636
   R87        2.05355  -0.00015   0.00026   0.00013   0.00039   2.05394
   R88        2.47750  -0.00026   0.00027   0.00106   0.00133   2.47882
   R89        3.35091   0.00004  -0.00022  -0.00232  -0.00254   3.34836
   R90        2.04759  -0.00012   0.00007   0.00023   0.00029   2.04789
   R91        2.89476   0.00004   0.00052  -0.00171  -0.00120   2.89357
   R92        2.89240   0.00027  -0.00019  -0.00004  -0.00023   2.89217
   R93        2.12086   0.00027  -0.00029  -0.00009  -0.00038   2.12048
   R94        2.07812   0.00022   0.00012   0.00184   0.00196   2.08007
   R95        2.07430   0.00100  -0.00008   0.00354   0.00346   2.07776
   R96        2.07608   0.00028  -0.00021   0.00132   0.00111   2.07718
   R97        2.07401   0.00002   0.00002   0.00027   0.00029   2.07430
   R98        2.08113  -0.00012   0.00013  -0.00002   0.00012   2.08124
   R99        2.06931   0.00001   0.00003  -0.00032  -0.00029   2.06902
   R100       3.27857   0.00028  -0.00024   0.00092   0.00068   3.27925
   R101       2.03987   0.00020  -0.00052  -0.00065  -0.00117   2.03870
    A1        1.93361   0.00002  -0.00015   0.00049   0.00034   1.93395
    A2        1.94829   0.00000  -0.00008  -0.00023  -0.00031   1.94798
    A3        1.96175   0.00000   0.00012  -0.00206  -0.00194   1.95982
    A4        1.87286  -0.00003   0.00016   0.00129   0.00145   1.87431
    A5        1.86647   0.00000  -0.00003   0.00240   0.00236   1.86883
    A6        1.87639   0.00001  -0.00001  -0.00169  -0.00171   1.87468
    A7        1.95117  -0.00005   0.00020   0.00155   0.00177   1.95294
    A8        1.93712  -0.00004   0.00004  -0.00690  -0.00687   1.93026
    A9        1.88890   0.00006  -0.00011   0.00077   0.00066   1.88956
   A10        1.91641   0.00004   0.00048   0.00491   0.00539   1.92181
   A11        1.88903  -0.00001  -0.00017  -0.00091  -0.00109   1.88794
   A12        1.87892   0.00001  -0.00048   0.00061   0.00013   1.87905
   A13        1.96044  -0.00009   0.00035   0.00246   0.00281   1.96325
   A14        1.94234   0.00004   0.00016   0.00062   0.00077   1.94311
   A15        1.93623  -0.00005   0.00009  -0.00031  -0.00022   1.93601
   A16        1.87459   0.00002  -0.00018  -0.00076  -0.00094   1.87364
   A17        1.86989   0.00011  -0.00039  -0.00315  -0.00354   1.86635
   A18        1.87634  -0.00003  -0.00007   0.00095   0.00088   1.87722
   A19        2.20662   0.00006  -0.00004   0.00183   0.00177   2.20839
   A20        2.11985  -0.00014   0.00026  -0.00218  -0.00193   2.11793
   A21        1.95662   0.00008  -0.00019   0.00042   0.00023   1.95685
   A22        1.96059  -0.00008   0.00012   0.00002   0.00015   1.96074
   A23        2.03658   0.00035  -0.00060  -0.00198  -0.00258   2.03400
   A24        2.01081   0.00006  -0.00001  -0.00044  -0.00045   2.01036
   A25        2.23575  -0.00041   0.00064   0.00241   0.00305   2.23880
   A26        1.99777  -0.00045   0.00006  -0.00229  -0.00223   1.99554
   A27        1.91661   0.00009   0.00025   0.00194   0.00219   1.91880
   A28        1.91758   0.00003  -0.00032  -0.00105  -0.00137   1.91621
   A29        1.91206   0.00023  -0.00054  -0.00065  -0.00118   1.91087
   A30        1.87630   0.00016   0.00060   0.00293   0.00354   1.87984
   A31        1.83623  -0.00003  -0.00007  -0.00076  -0.00083   1.83540
   A32        1.99683  -0.00062   0.00333   0.00324   0.00650   2.00333
   A33        2.12074   0.00063   0.00096   0.00198   0.00279   2.12353
   A34        2.01156  -0.00005   0.00299   0.00386   0.00679   2.01835
   A35        1.89853   0.00025  -0.00005  -0.00286  -0.00291   1.89562
   A36        1.91850  -0.00025   0.00111   0.00307   0.00419   1.92269
   A37        1.96705  -0.00007  -0.00023  -0.00152  -0.00176   1.96529
   A38        1.88641   0.00004  -0.00027   0.00038   0.00011   1.88653
   A39        1.90434  -0.00010  -0.00017   0.00241   0.00223   1.90657
   A40        1.88737   0.00014  -0.00041  -0.00136  -0.00177   1.88560
   A41        2.11678  -0.00010  -0.00027  -0.00162  -0.00188   2.11489
   A42        2.05404   0.00050  -0.00057  -0.00045  -0.00101   2.05304
   A43        2.11209  -0.00040   0.00093   0.00205   0.00298   2.11508
   A44        2.03915  -0.00058   0.00317   0.00461   0.00723   2.04638
   A45        2.07628   0.00013   0.00144   0.01098   0.01187   2.08815
   A46        1.97458   0.00031   0.00090   0.00563   0.00589   1.98047
   A47        1.89504   0.00000   0.00095   0.00000   0.00096   1.89601
   A48        1.90386  -0.00057   0.00067   0.00330   0.00397   1.90783
   A49        1.89172   0.00013   0.00112   0.00031   0.00141   1.89313
   A50        1.93961   0.00096  -0.00104  -0.00798  -0.00902   1.93059
   A51        1.93146  -0.00052  -0.00103   0.00281   0.00176   1.93323
   A52        1.90135  -0.00002  -0.00056   0.00176   0.00118   1.90254
   A53        2.12690   0.00043   0.00046   0.00139   0.00185   2.12875
   A54        2.03782  -0.00096  -0.00071  -0.00160  -0.00230   2.03551
   A55        2.11839   0.00052   0.00025   0.00024   0.00049   2.11889
   A56        2.10653   0.00163   0.00120   0.00053   0.00170   2.10822
   A57        2.12256  -0.00069  -0.00058  -0.00004  -0.00066   2.12190
   A58        2.03530  -0.00080   0.00065   0.00098   0.00159   2.03689
   A59        1.91343  -0.00118   0.00019   0.00207   0.00226   1.91569
   A60        1.92726   0.00214   0.00080   0.00049   0.00129   1.92855
   A61        1.87972  -0.00021   0.00020  -0.00070  -0.00050   1.87923
   A62        1.95339  -0.00114  -0.00062  -0.00030  -0.00093   1.95247
   A63        1.88735   0.00036  -0.00016   0.00000  -0.00016   1.88719
   A64        1.90072   0.00003  -0.00040  -0.00163  -0.00202   1.89869
   A65        1.99137  -0.00002   0.00053   0.00225   0.00278   1.99415
   A66        1.89552  -0.00006   0.00001   0.00084   0.00084   1.89636
   A67        1.89856   0.00001   0.00020  -0.00085  -0.00065   1.89791
   A68        1.91735   0.00007  -0.00028   0.00082   0.00054   1.91789
   A69        1.92810  -0.00005  -0.00014  -0.00228  -0.00242   1.92567
   A70        1.82529   0.00005  -0.00039  -0.00104  -0.00143   1.82386
   A71        2.09662  -0.00010   0.00016   0.00030   0.00046   2.09708
   A72        2.10174   0.00002   0.00008  -0.00014  -0.00006   2.10168
   A73        2.08480   0.00008  -0.00024  -0.00016  -0.00040   2.08440
   A74        2.09726  -0.00005   0.00015   0.00007   0.00022   2.09749
   A75        2.09530   0.00003  -0.00004   0.00043   0.00040   2.09570
   A76        2.09055   0.00001  -0.00011  -0.00051  -0.00062   2.08993
   A77        2.09882  -0.00003   0.00001  -0.00010  -0.00008   2.09874
   A78        2.09084   0.00000   0.00001   0.00005   0.00006   2.09089
   A79        2.09352   0.00004  -0.00002   0.00005   0.00003   2.09355
   A80        2.08959   0.00001  -0.00004   0.00000  -0.00003   2.08955
   A81        2.09641   0.00001  -0.00006   0.00001  -0.00004   2.09637
   A82        2.09718  -0.00002   0.00009  -0.00001   0.00008   2.09725
   A83        2.09920  -0.00001   0.00001   0.00000   0.00002   2.09922
   A84        2.09308  -0.00001  -0.00003   0.00014   0.00011   2.09319
   A85        2.09090   0.00003   0.00002  -0.00014  -0.00013   2.09078
   A86        2.09664  -0.00001   0.00010   0.00017   0.00027   2.09691
   A87        2.09733  -0.00001   0.00003   0.00008   0.00011   2.09744
   A88        2.08920   0.00001  -0.00013  -0.00025  -0.00038   2.08882
   A89        1.95604   0.00301   0.00127   0.00181   0.00307   1.95911
   A90        1.92791  -0.00080   0.00114  -0.00120  -0.00007   1.92784
   A91        1.90456  -0.00104  -0.00089  -0.00117  -0.00206   1.90251
   A92        1.89818  -0.00075   0.00095  -0.00209  -0.00115   1.89703
   A93        1.93252  -0.00108  -0.00291   0.00229  -0.00061   1.93191
   A94        1.84130   0.00048   0.00039   0.00027   0.00066   1.84196
   A95        1.84407   0.00030   0.00140  -0.00683  -0.00544   1.83863
   A96        1.97030  -0.00150  -0.00383   0.00459   0.00075   1.97105
   A97        1.95589   0.00069  -0.00178   0.00166  -0.00011   1.95577
   A98        1.82616   0.00028   0.00134  -0.00382  -0.00250   1.82366
   A99        1.92094  -0.00015   0.00268  -0.00195   0.00072   1.92166
   A100       1.93913   0.00037   0.00067   0.00510   0.00577   1.94490
   A101       1.93103   0.00045  -0.00004   0.00162   0.00158   1.93261
   A102       1.95032  -0.00027  -0.00229   0.00615   0.00385   1.95417
   A103       1.90030   0.00095   0.00352  -0.00096   0.00255   1.90285
   A104       1.88907  -0.00034  -0.00032  -0.00348  -0.00380   1.88527
   A105       1.94287  -0.00045  -0.00054   0.00091   0.00034   1.94321
   A106       1.92346   0.00023  -0.00093   0.00049  -0.00045   1.92301
   A107       1.85455  -0.00009   0.00079  -0.00374  -0.00294   1.85161
   A108       1.94996   0.00011  -0.00009   0.00130   0.00121   1.95117
   A109       1.91430  -0.00002  -0.00010   0.00122   0.00112   1.91542
   A110       1.91145   0.00003  -0.00067   0.00107   0.00040   1.91185
   A111       1.93573  -0.00006   0.00015  -0.00217  -0.00202   1.93371
   A112       1.92320  -0.00009   0.00047  -0.00096  -0.00049   1.92272
   A113       1.82513   0.00001   0.00025  -0.00055  -0.00030   1.82482
   A114       2.09721  -0.00003   0.00008  -0.00068  -0.00060   2.09661
   A115       2.09766   0.00002   0.00003   0.00066   0.00069   2.09835
   A116       2.08832   0.00001  -0.00011   0.00002  -0.00009   2.08823
   A117       2.09502   0.00002   0.00005   0.00009   0.00014   2.09516
   A118       2.09449  -0.00004  -0.00004  -0.00065  -0.00069   2.09380
   A119       2.09367   0.00002  -0.00001   0.00056   0.00056   2.09423
   A120       2.09880  -0.00003   0.00001  -0.00005  -0.00004   2.09875
   A121       2.09035   0.00004  -0.00001  -0.00019  -0.00020   2.09015
   A122       2.09404  -0.00002   0.00000   0.00023   0.00024   2.09428
   A123       2.09062   0.00003  -0.00003   0.00004   0.00001   2.09063
   A124       2.09680  -0.00004   0.00005  -0.00002   0.00003   2.09683
   A125       2.09577   0.00002  -0.00002  -0.00002  -0.00004   2.09573
   A126       2.09859   0.00000  -0.00002  -0.00003  -0.00005   2.09854
   A127       2.09274   0.00001   0.00001   0.00007   0.00007   2.09282
   A128       2.09185  -0.00001   0.00001  -0.00003  -0.00002   2.09183
   A129       2.09503  -0.00002   0.00010  -0.00006   0.00004   2.09506
   A130       2.09729   0.00000  -0.00013  -0.00013  -0.00026   2.09703
   A131       2.09086   0.00003   0.00003   0.00020   0.00023   2.09109
   A132       2.13039   0.00056   0.00063   0.00493   0.00525   2.13564
   A133       2.05659  -0.00042   0.00019  -0.00214  -0.00226   2.05433
   A134       2.09417  -0.00019  -0.00018  -0.00097  -0.00146   2.09272
   A135       2.25674   0.00030   0.00016   0.00406   0.00401   2.26075
   A136       1.88448  -0.00018   0.00068  -0.00083  -0.00035   1.88413
   A137       2.14180  -0.00007  -0.00065  -0.00298  -0.00383   2.13797
   A138       2.01736   0.00117  -0.00092  -0.00107  -0.00199   2.01537
   A139       1.91203   0.00132   0.00027   0.00196   0.00223   1.91426
   A140       1.76594  -0.00026  -0.00026  -0.00046  -0.00071   1.76523
   A141       1.90292  -0.00041  -0.00092  -0.00158  -0.00251   1.90041
   A142       1.96256  -0.00064   0.00008  -0.00306  -0.00298   1.95958
   A143       1.97513  -0.00005   0.00025   0.00205   0.00230   1.97744
   A144       1.93308   0.00005   0.00048   0.00084   0.00132   1.93440
   A145       2.25870   0.00040  -0.00018  -0.00161  -0.00179   2.25691
   A146       2.11362  -0.00049   0.00023   0.00187   0.00209   2.11571
   A147       1.91086   0.00010  -0.00004  -0.00025  -0.00029   1.91056
   A148       2.01355  -0.00003  -0.00009   0.00005  -0.00004   2.01351
   A149       2.20818   0.00001   0.00002   0.00048   0.00050   2.20868
   A150       2.06144   0.00001   0.00007  -0.00053  -0.00046   2.06098
   A151       1.95719  -0.00001   0.00023  -0.00081  -0.00059   1.95661
   A152       1.96758   0.00009  -0.00025   0.00062   0.00037   1.96795
   A153       2.19661  -0.00007   0.00015  -0.00139  -0.00124   2.19537
   A154       2.11899  -0.00001   0.00011   0.00076   0.00087   2.11986
   A155       1.57555  -0.00015   0.00019   0.00035   0.00055   1.57610
   A156       1.96829   0.00017   0.00065  -0.00290  -0.00226   1.96603
   A157       1.91514  -0.00017  -0.00031  -0.00080  -0.00111   1.91403
   A158       1.85440   0.00005  -0.00024   0.00195   0.00171   1.85611
   A159       1.95242   0.00012   0.00020  -0.00026  -0.00006   1.95236
   A160       1.88999  -0.00032  -0.00024   0.00169   0.00145   1.89144
   A161       1.87863   0.00014  -0.00011   0.00064   0.00053   1.87916
   A162       1.97881   0.00003   0.00111  -0.00107   0.00004   1.97885
   A163       1.96164  -0.00015   0.00002   0.00187   0.00188   1.96352
   A164       1.95015  -0.00045   0.00022   0.00295   0.00315   1.95330
   A165       1.86557   0.00018  -0.00090  -0.00663  -0.00753   1.85804
   A166       1.84691   0.00002   0.00008  -0.00359  -0.00352   1.84339
   A167       1.85191   0.00042  -0.00065   0.00631   0.00564   1.85754
   A168       1.93230   0.00003   0.00004   0.00009   0.00013   1.93242
   A169       1.96953  -0.00028  -0.00013   0.00044   0.00031   1.96984
   A170       1.95529   0.00012  -0.00006  -0.00051  -0.00057   1.95472
   A171       1.85437   0.00007   0.00016  -0.00266  -0.00250   1.85187
   A172       1.86382  -0.00008   0.00036   0.00107   0.00143   1.86525
   A173       1.88256   0.00015  -0.00033   0.00153   0.00119   1.88376
   A174       1.91563   0.00010  -0.00013   0.00025   0.00012   1.91575
   A175       2.24078  -0.00003   0.00051   0.00216   0.00266   2.24344
   A176       2.12677  -0.00007  -0.00037  -0.00242  -0.00279   2.12398
   A177       1.58111  -0.00016   0.00021  -0.00026  -0.00004   1.58107
    D1        1.13767  -0.00002  -0.00210   0.03245   0.03035   1.16801
    D2       -2.99931  -0.00003  -0.00131   0.03491   0.03360  -2.96571
    D3       -0.94113  -0.00001  -0.00194   0.03215   0.03021  -0.91093
    D4       -3.05938  -0.00004  -0.00206   0.03425   0.03220  -3.02718
    D5       -0.91317  -0.00005  -0.00126   0.03671   0.03545  -0.87772
    D6        1.14501  -0.00003  -0.00190   0.03395   0.03206   1.17706
    D7       -0.94933  -0.00003  -0.00204   0.03044   0.02840  -0.92093
    D8        1.19688  -0.00004  -0.00125   0.03290   0.03165   1.22853
    D9       -3.02813  -0.00002  -0.00188   0.03014   0.02826  -2.99987
   D10        1.07300  -0.00006  -0.00274   0.00527   0.00253   1.07553
   D11       -3.10762  -0.00006  -0.00262   0.00644   0.00382  -3.10380
   D12       -1.01927  -0.00010  -0.00254   0.00783   0.00529  -1.01398
   D13       -1.08493   0.00000  -0.00327   0.00950   0.00623  -1.07870
   D14        1.01764   0.00000  -0.00315   0.01067   0.00752   1.02515
   D15        3.10598  -0.00004  -0.00307   0.01207   0.00899   3.11497
   D16       -3.13146  -0.00003  -0.00286   0.00656   0.00370  -3.12776
   D17       -1.02889  -0.00003  -0.00274   0.00773   0.00499  -1.02390
   D18        1.05945  -0.00007  -0.00266   0.00913   0.00646   1.06592
   D19        2.26808  -0.00002   0.00034  -0.11877  -0.11842   2.14965
   D20       -0.88846  -0.00003   0.00176  -0.11212  -0.11035  -0.99882
   D21       -1.84898  -0.00009   0.00097  -0.11811  -0.11715  -1.96613
   D22        1.27766  -0.00009   0.00239  -0.11146  -0.10908   1.16859
   D23        0.20385  -0.00008   0.00075  -0.11617  -0.11542   0.08844
   D24       -2.95269  -0.00008   0.00217  -0.10952  -0.10734  -3.06003
   D25        3.12831   0.00001   0.00114   0.00450   0.00565   3.13396
   D26        0.00048   0.00001  -0.00017  -0.00161  -0.00178  -0.00130
   D27       -3.13105   0.00000  -0.00074  -0.00471  -0.00544  -3.13649
   D28       -0.00244   0.00000   0.00050   0.00108   0.00158  -0.00086
   D29        3.13425  -0.00006   0.00197   0.00117   0.00312   3.13737
   D30        0.00252  -0.00001  -0.00039   0.00150   0.00112   0.00364
   D31        2.22570  -0.00004  -0.00752  -0.01086  -0.01837   2.20733
   D32       -1.89864   0.00001  -0.00798  -0.01188  -0.01986  -1.91850
   D33        0.11299   0.00005  -0.00811  -0.01229  -0.02040   0.09259
   D34       -0.92723  -0.00009  -0.00483  -0.01127  -0.01610  -0.94333
   D35        1.23162  -0.00004  -0.00530  -0.01229  -0.01758   1.21404
   D36       -3.03993   0.00000  -0.00542  -0.01270  -0.01812  -3.05806
   D37       -0.00428   0.00000   0.00076  -0.00064   0.00011  -0.00417
   D38        3.13898  -0.00002   0.00247   0.00209   0.00456  -3.13964
   D39       -3.13468   0.00005  -0.00188  -0.00023  -0.00213  -3.13681
   D40        0.00858   0.00002  -0.00017   0.00250   0.00233   0.01091
   D41       -1.23551   0.00006  -0.00682  -0.03166  -0.03846  -1.27396
   D42        1.31037  -0.00004   0.00736  -0.01456  -0.00723   1.30314
   D43        2.88639   0.00008  -0.00678  -0.03203  -0.03879   2.84761
   D44       -0.85092  -0.00001   0.00740  -0.01493  -0.00756  -0.85848
   D45        0.89981  -0.00008  -0.00675  -0.03236  -0.03908   0.86073
   D46       -2.83750  -0.00018   0.00742  -0.01525  -0.00785  -2.84536
   D47       -1.11771   0.00007   0.00868  -0.06038  -0.05164  -1.16934
   D48        3.10319   0.00001   0.00838  -0.06092  -0.05247   3.05072
   D49        0.99654   0.00006   0.00827  -0.06032  -0.05197   0.94457
   D50        2.58122  -0.00010  -0.00370  -0.07573  -0.07951   2.50171
   D51        0.51893  -0.00015  -0.00399  -0.07627  -0.08034   0.43859
   D52       -1.58772  -0.00010  -0.00411  -0.07567  -0.07984  -1.66756
   D53       -2.85532   0.00003  -0.00160   0.00457   0.00299  -2.85233
   D54        0.31107  -0.00016  -0.00704   0.00527  -0.00173   0.30933
   D55       -0.31409  -0.00025   0.01280   0.02160   0.03436  -0.27973
   D56        2.85229  -0.00043   0.00736   0.02231   0.02964   2.88193
   D57        2.79147   0.00006   0.00222  -0.01088  -0.00852   2.78295
   D58        0.32082   0.00016  -0.00504  -0.04518  -0.05035   0.27047
   D59       -0.32540  -0.00013  -0.00318  -0.01013  -0.01317  -0.33857
   D60       -2.79605  -0.00003  -0.01044  -0.04442  -0.05500  -2.85105
   D61       -1.72879   0.00048  -0.00340  -0.03674  -0.04016  -1.76894
   D62        2.43825  -0.00035  -0.00312  -0.02901  -0.03215   2.40610
   D63        0.37030  -0.00007  -0.00345  -0.03317  -0.03665   0.33365
   D64        0.77983   0.00035   0.00370  -0.00234   0.00138   0.78121
   D65       -1.33632  -0.00048   0.00398   0.00538   0.00938  -1.32694
   D66        2.87892  -0.00020   0.00365   0.00123   0.00489   2.88380
   D67       -0.51556   0.00007  -0.00054  -0.02218  -0.02272  -0.53828
   D68        2.61283  -0.00066   0.00142  -0.02020  -0.01878   2.59404
   D69        1.57848  -0.00005   0.00026  -0.02298  -0.02272   1.55576
   D70       -1.57632  -0.00077   0.00222  -0.02100  -0.01878  -1.59510
   D71       -2.58979   0.00022  -0.00187  -0.02422  -0.02609  -2.61587
   D72        0.53860  -0.00050   0.00009  -0.02224  -0.02215   0.51645
   D73        1.21792  -0.00021  -0.00308  -0.00894  -0.01203   1.20589
   D74       -2.87614  -0.00006  -0.00258  -0.01204  -0.01462  -2.89076
   D75       -0.84995   0.00005  -0.00300  -0.01062  -0.01362  -0.86358
   D76       -0.87087  -0.00044  -0.00406  -0.00613  -0.01018  -0.88104
   D77        1.31826  -0.00028  -0.00355  -0.00923  -0.01277   1.30549
   D78       -2.93874  -0.00018  -0.00397  -0.00781  -0.01177  -2.95051
   D79       -3.00336  -0.00040  -0.00169  -0.00566  -0.00735  -3.01071
   D80       -0.81423  -0.00024  -0.00118  -0.00876  -0.00994  -0.82418
   D81        1.21196  -0.00014  -0.00160  -0.00734  -0.00895   1.20301
   D82        3.07198   0.00107   0.00712  -0.00289   0.00423   3.07620
   D83        0.14457   0.00037  -0.00006  -0.01125  -0.01131   0.13326
   D84       -0.08276   0.00035   0.00907  -0.00091   0.00815  -0.07460
   D85       -3.01016  -0.00035   0.00189  -0.00928  -0.00738  -3.01754
   D86        2.34321  -0.00031  -0.00525   0.07813   0.07287   2.41608
   D87       -1.77987  -0.00112  -0.00537   0.07950   0.07413  -1.70574
   D88        0.29354   0.00002  -0.00528   0.07740   0.07211   0.36566
   D89       -1.00225   0.00035   0.00142   0.08597   0.08740  -0.91485
   D90        1.15785  -0.00046   0.00131   0.08735   0.08866   1.24652
   D91       -3.05192   0.00067   0.00140   0.08524   0.08665  -2.96527
   D92        1.08735   0.00064  -0.00418  -0.02196  -0.02614   1.06121
   D93       -1.05765   0.00061  -0.00419  -0.02521  -0.02941  -1.08705
   D94       -3.03456   0.00058  -0.00384  -0.02399  -0.02783  -3.06239
   D95       -1.05736  -0.00047  -0.00491  -0.02385  -0.02876  -1.08612
   D96        3.08082  -0.00050  -0.00492  -0.02710  -0.03202   3.04880
   D97        1.10391  -0.00053  -0.00457  -0.02588  -0.03045   1.07347
   D98        3.13224  -0.00005  -0.00393  -0.02165  -0.02558   3.10666
   D99        0.98724  -0.00008  -0.00394  -0.02490  -0.02885   0.95839
   D100      -0.98967  -0.00011  -0.00359  -0.02368  -0.02727  -1.01695
   D101       1.18833   0.00102  -0.00043  -0.02158  -0.02201   1.16631
   D102      -0.93127   0.00048  -0.00331  -0.01930  -0.02261  -0.95388
   D103      -2.94793   0.00095  -0.00391  -0.01827  -0.02218  -2.97011
   D104      -2.95801   0.00024  -0.00006  -0.01878  -0.01884  -2.97685
   D105       1.20558  -0.00030  -0.00293  -0.01650  -0.01943   1.18615
   D106      -0.81109   0.00016  -0.00353  -0.01547  -0.01900  -0.83009
   D107      -0.87226   0.00000  -0.00090  -0.02004  -0.02094  -0.89320
   D108      -2.99186  -0.00054  -0.00377  -0.01776  -0.02153  -3.01339
   D109       1.27466  -0.00007  -0.00437  -0.01673  -0.02110   1.25356
   D110      -1.55809  -0.00008  -0.00109  -0.02331  -0.02440  -1.58249
   D111       1.59033  -0.00008  -0.00094  -0.02304  -0.02398   1.56636
   D112       0.57499  -0.00011  -0.00091  -0.02000  -0.02091   0.55408
   D113      -2.55978  -0.00012  -0.00076  -0.01973  -0.02049  -2.58026
   D114       2.57982  -0.00004  -0.00163  -0.02208  -0.02371   2.55611
   D115      -0.55495  -0.00005  -0.00147  -0.02181  -0.02328  -0.57823
   D116       3.13782   0.00002  -0.00018  -0.00041  -0.00059   3.13723
   D117      -0.01688   0.00002   0.00000  -0.00057  -0.00057  -0.01744
   D118      -0.01054   0.00002  -0.00033  -0.00068  -0.00101  -0.01155
   D119       3.11795   0.00003  -0.00015  -0.00084  -0.00098   3.11697
   D120      -3.13870  -0.00001   0.00011   0.00033   0.00044  -3.13826
   D121       0.00892  -0.00002   0.00020  -0.00063  -0.00043   0.00849
   D122       0.00968  -0.00002   0.00026   0.00059   0.00085   0.01053
   D123      -3.12589  -0.00003   0.00035  -0.00036  -0.00001  -3.12590
   D124       0.00338  -0.00001   0.00018   0.00032   0.00051   0.00389
   D125       3.14118  -0.00001   0.00018   0.00074   0.00092  -3.14109
   D126      -3.12514  -0.00002  -0.00001   0.00048   0.00047  -3.12467
   D127       0.01265  -0.00002  -0.00001   0.00090   0.00088   0.01354
   D128       0.00469   0.00000   0.00004   0.00012   0.00016   0.00486
   D129       3.14146   0.00000  -0.00006   0.00065   0.00059  -3.14114
   D130      -3.13310  -0.00001   0.00005  -0.00030  -0.00025  -3.13335
   D131       0.00367   0.00000  -0.00006   0.00023   0.00018   0.00385
   D132      -0.00555   0.00001  -0.00011  -0.00021  -0.00032  -0.00587
   D133       3.13347   0.00002  -0.00023   0.00012  -0.00011   3.13335
   D134       3.14087   0.00000  -0.00001  -0.00074  -0.00075   3.14012
   D135      -0.00330   0.00001  -0.00012  -0.00042  -0.00054  -0.00384
   D136      -0.00167   0.00000  -0.00004  -0.00015  -0.00019  -0.00186
   D137       3.13393   0.00001  -0.00013   0.00080   0.00067   3.13460
   D138      -3.14069  -0.00001   0.00007  -0.00048  -0.00040  -3.14109
   D139      -0.00509   0.00000  -0.00001   0.00047   0.00046  -0.00463
   D140      -1.66820  -0.00050  -0.00156  -0.08486  -0.08641  -1.75461
   D141       2.62930  -0.00027  -0.00207  -0.07857  -0.08064   2.54866
   D142       0.42390  -0.00011   0.00159  -0.09059  -0.08900   0.33490
   D143       0.46839  -0.00005   0.00138  -0.08665  -0.08527   0.38312
   D144      -1.51730   0.00018   0.00086  -0.08035  -0.07949  -1.59679
   D145       2.56049   0.00034   0.00452  -0.09238  -0.08786   2.47264
   D146       2.48393  -0.00050   0.00078  -0.08626  -0.08548   2.39846
   D147       0.49824  -0.00027   0.00027  -0.07997  -0.07970   0.41854
   D148      -1.70715  -0.00011   0.00392  -0.09199  -0.08807  -1.79522
   D149       2.27862   0.00104   0.00333   0.03859   0.04191   2.32053
   D150      -1.92092  -0.00039   0.00026   0.03888   0.03914  -1.88179
   D151       0.16369   0.00012   0.00315   0.04174   0.04489   0.20858
   D152      -1.02061   0.00007   0.00939   0.00165   0.01104  -1.00956
   D153       3.10936   0.00017   0.00917  -0.00296   0.00620   3.11556
   D154       1.10048  -0.00004   0.00655   0.00380   0.01036   1.11084
   D155      -3.01714   0.00027   0.00879   0.00978   0.01858  -2.99856
   D156       1.11282   0.00036   0.00857   0.00517   0.01374   1.12656
   D157      -0.89605   0.00015   0.00596   0.01194   0.01790  -0.87815
   D158       1.19371   0.00010   0.00452   0.01172   0.01625   1.20995
   D159      -0.95951   0.00019   0.00430   0.00712   0.01140  -0.94811
   D160      -2.96839  -0.00001   0.00168   0.01388   0.01556  -2.95283
   D161       2.97359  -0.00036  -0.00102  -0.00381  -0.00483   2.96876
   D162      -1.15579  -0.00036  -0.00096  -0.00483  -0.00578  -1.16157
   D163       0.83778  -0.00034  -0.00108  -0.00423  -0.00531   0.83247
   D164      -1.18066   0.00035   0.00150  -0.00005   0.00145  -1.17921
   D165       0.97314   0.00035   0.00156  -0.00106   0.00050   0.97364
   D166       2.96671   0.00037   0.00144  -0.00046   0.00097   2.96768
   D167       0.87250   0.00010   0.00154  -0.00381  -0.00227   0.87023
   D168       3.02629   0.00010   0.00160  -0.00482  -0.00322   3.02308
   D169      -1.26332   0.00012   0.00148  -0.00422  -0.00274  -1.26607
   D170       1.21830   0.00075  -0.00211   0.06265   0.06054   1.27885
   D171      -1.99180  -0.00006   0.00197   0.09326   0.09523  -1.89658
   D172      -0.93936   0.00074  -0.00127   0.05493   0.05365  -0.88571
   D173       2.13372  -0.00008   0.00280   0.08554   0.08834   2.22206
   D174      -3.03378   0.00077  -0.00032   0.05614   0.05582  -2.97796
   D175       0.03930  -0.00004   0.00375   0.08675   0.09051   0.12980
   D176       1.76978   0.00000  -0.00080   0.00782   0.00702   1.77680
   D177      -1.37046  -0.00001  -0.00086   0.00676   0.00590  -1.36457
   D178      -0.37184  -0.00003  -0.00071   0.00688   0.00617  -0.36567
   D179       2.77110  -0.00003  -0.00078   0.00583   0.00505   2.77615
   D180      -2.38433   0.00005  -0.00139   0.00941   0.00802  -2.37631
   D181       0.75861   0.00005  -0.00145   0.00835   0.00690   0.76551
   D182      -3.14121  -0.00001  -0.00004  -0.00117  -0.00121   3.14076
   D183       0.00091   0.00001  -0.00026  -0.00157  -0.00184  -0.00093
   D184      -0.00096   0.00000   0.00002  -0.00012  -0.00010  -0.00106
   D185       3.14116   0.00001  -0.00020  -0.00052  -0.00072   3.14044
   D186       3.14099   0.00000   0.00008   0.00101   0.00110  -3.14110
   D187      -0.00299   0.00001   0.00001   0.00135   0.00137  -0.00162
   D188       0.00073   0.00000   0.00002  -0.00004  -0.00002   0.00072
   D189       3.13994   0.00000  -0.00005   0.00030   0.00025   3.14019
   D190       0.00085   0.00000  -0.00005   0.00010   0.00005   0.00090
   D191      -3.14034   0.00001  -0.00005   0.00006   0.00000  -3.14034
   D192      -3.14127  -0.00001   0.00018   0.00050   0.00068  -3.14060
   D193       0.00072  -0.00001   0.00017   0.00046   0.00063   0.00135
   D194      -0.00050   0.00000   0.00003   0.00008   0.00011  -0.00039
   D195      -3.14075   0.00000   0.00007  -0.00008  -0.00001  -3.14075
   D196       3.14069   0.00000   0.00003   0.00012   0.00015   3.14084
   D197       0.00044   0.00000   0.00008  -0.00004   0.00004   0.00048
   D198       0.00027   0.00000   0.00002  -0.00024  -0.00022   0.00005
   D199      -3.14018   0.00000   0.00006  -0.00029  -0.00023  -3.14040
   D200       3.14052   0.00000  -0.00003  -0.00008  -0.00011   3.14041
   D201       0.00008   0.00000   0.00002  -0.00013  -0.00011  -0.00004
   D202      -0.00039   0.00000  -0.00004   0.00022   0.00018  -0.00021
   D203      -3.13961   0.00000   0.00003  -0.00012  -0.00009  -3.13970
   D204       3.14005   0.00000  -0.00009   0.00027   0.00018   3.14024
   D205       0.00084   0.00000  -0.00002  -0.00007  -0.00009   0.00075
   D206      -0.01185   0.00022  -0.00535   0.03194   0.02657   0.01472
   D207      -3.13436  -0.00263   0.01860   0.01684   0.03547  -3.09889
   D208      -3.08349   0.00106  -0.00953   0.00073  -0.00884  -3.09233
   D209       0.07719  -0.00179   0.01442  -0.01438   0.00007   0.07726
   D210       2.91220   0.00235  -0.01495   0.03105   0.01617   2.92836
   D211      -0.21184  -0.00028   0.00721   0.01707   0.02421  -0.18763
   D212      -1.49833  -0.00093   0.00252  -0.00009   0.00243  -1.49591
   D213       2.70973  -0.00063   0.00244   0.00281   0.00526   2.71499
   D214       0.67181  -0.00040   0.00240   0.00271   0.00510   0.67691
   D215      -0.37996  -0.00019   0.00083  -0.07900  -0.07817  -0.45813
   D216       2.75594   0.00003   0.00235  -0.07830  -0.07595   2.68000
   D217       1.56915  -0.00008   0.00072  -0.08008  -0.07936   1.48979
   D218      -1.57813   0.00014   0.00224  -0.07938  -0.07714  -1.65527
   D219      -2.50737  -0.00059   0.00165  -0.07979  -0.07814  -2.58551
   D220       0.62853  -0.00037   0.00317  -0.07909  -0.07592   0.55261
   D221       3.13689   0.00024   0.00121   0.00056   0.00176   3.13865
   D222      -0.01134   0.00018  -0.00130   0.00229   0.00099  -0.01035
   D223       0.00047   0.00004  -0.00018  -0.00008  -0.00026   0.00020
   D224       3.13542  -0.00002  -0.00268   0.00165  -0.00103   3.13440
   D225       3.14143  -0.00018   0.00039  -0.00218  -0.00179   3.13964
   D226      -0.00483   0.00000   0.00163  -0.00161   0.00003  -0.00481
   D227       0.00619  -0.00008  -0.00205   0.00249   0.00043   0.00663
   D228      -3.12935  -0.00002   0.00023   0.00090   0.00113  -3.12822
   D229      -0.00981   0.00007   0.00328  -0.00368  -0.00040  -0.01021
   D230       3.13696  -0.00005  -0.00151   0.00011  -0.00139   3.13557
   D231       0.00864  -0.00004  -0.00290   0.00312   0.00022   0.00886
   D232      -3.13787   0.00007   0.00164  -0.00048   0.00116  -3.13671
   D233       0.11380  -0.00046   0.00277  -0.10046  -0.09768   0.01612
   D234       2.23197  -0.00031   0.00243  -0.10860  -0.10617   2.12579
   D235      -1.97145  -0.00019   0.00175  -0.09718  -0.09542  -2.06687
   D236      -2.05498  -0.00046   0.00253  -0.09695  -0.09443  -2.14941
   D237       0.06318  -0.00032   0.00219  -0.10510  -0.10292  -0.03974
   D238       2.14295  -0.00019   0.00150  -0.09367  -0.09216   2.05079
   D239       2.16077  -0.00050   0.00270  -0.09867  -0.09597   2.06480
   D240      -2.00426  -0.00035   0.00236  -0.10681  -0.10446  -2.10871
   D241       0.07551  -0.00023   0.00168  -0.09539  -0.09371  -0.01819
   D242       3.06021  -0.00012  -0.00191   0.01226   0.01036   3.07056
   D243      -1.14709  -0.00021  -0.00176   0.00923   0.00747  -1.13962
   D244       0.98176  -0.00012  -0.00235   0.01119   0.00884   0.99060
   D245      -1.02478   0.00006  -0.00115   0.00769   0.00654  -1.01824
   D246       1.05110  -0.00002  -0.00101   0.00466   0.00365   1.05475
   D247      -3.10323   0.00006  -0.00159   0.00661   0.00502  -3.09821
   D248       1.04939  -0.00018  -0.00140   0.01002   0.00862   1.05801
   D249       3.12528  -0.00026  -0.00125   0.00699   0.00573   3.13101
   D250      -1.02906  -0.00017  -0.00184   0.00894   0.00710  -1.02195
   D251       0.00370   0.00000  -0.00069  -0.00021  -0.00090   0.00280
   D252      -3.13944   0.00003  -0.00228  -0.00272  -0.00499   3.13876
         Item               Value     Threshold  Converged?
 Maximum Force            0.003009     0.000450     NO 
 RMS     Force            0.000425     0.000300     NO 
 Maximum Displacement     0.764844     0.001800     NO 
 RMS     Displacement     0.177160     0.001200     NO 
 Predicted change in Energy=-3.690291D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -8.902251   -2.625117    0.342738
      2          6           0       -8.863384   -1.291468   -0.409120
      3          6           0       -9.949240   -0.327723    0.080428
      4          6           0       -7.515086   -0.654783   -0.282307
      5          7           0       -6.724670   -0.297265   -1.266338
      6          6           0       -5.516957    0.289320   -0.802923
      7          6           0       -4.537707    0.729400   -1.854231
      8          7           0       -4.105207    2.140180   -1.732859
      9          6           0       -5.132459    3.143054   -2.122706
     10          6           0       -3.187289    2.557151   -0.726243
     11          8           0       -3.061192    3.740701   -0.433484
     12          7           0       -2.408009    1.558255   -0.093599
     13          6           0       -1.163562    1.995719    0.584064
     14          6           0        0.035201    1.670294   -0.329234
     15          8           0        0.027253    0.711644   -1.094383
     16          7           0        1.124231    2.523914   -0.252459
     17          6           0        2.361422    2.250842   -1.029833
     18          6           0        2.901973    3.568730   -1.632380
     19          6           0        3.268058    4.610211   -0.611570
     20          6           0        2.313702    5.550168   -0.189089
     21          6           0        2.651800    6.514765    0.763187
     22          6           0        3.943456    6.553964    1.298597
     23          6           0        4.899022    5.626274    0.872485
     24          6           0        4.566021    4.658161   -0.079147
     25          6           0        3.412295    1.550496   -0.144162
     26          6           0        2.976286    0.140177    0.268738
     27          8           0        2.483622    0.272674    1.620884
     28          6           0        4.172639   -0.857173    0.384735
     29          6           0        4.958593   -0.969559   -0.934203
     30          6           0        6.238357   -1.736484   -0.757307
     31          6           0        6.319637   -3.074900   -1.168834
     32          6           0        7.511469   -3.786497   -1.004341
     33          6           0        8.626497   -3.169591   -0.428877
     34          6           0        8.547040   -1.834849   -0.017270
     35          6           0        7.358881   -1.118224   -0.179341
     36          7           0        3.657471   -2.184847    0.823795
     37          6           0        2.946803   -3.015568   -0.016675
     38          8           0        2.637838   -2.857000   -1.179449
     39          8           0        2.565202   -4.148713    0.716656
     40          6           0        1.574961   -5.005528    0.076444
     41          6           0        0.214982   -4.503796    0.373938
     42          6           0       -0.224265   -3.770169    1.443225
     43          7           0       -1.596905   -3.443796    1.429389
     44          6           0       -2.207792   -3.923815    0.372483
     45         16           0       -1.117004   -4.811355   -0.705481
     46          6           0       -1.031579    1.254672    1.946496
     47          6           0       -0.749523   -0.241009    1.779197
     48          6           0        0.031654    1.942471    2.806035
     49          6           0       -5.394068    0.370881    0.554600
     50         16           0       -6.809545   -0.287336    1.312530
     51          1           0       -9.819592   -3.177838    0.108191
     52          1           0       -8.054627   -3.266560    0.071726
     53          1           0       -8.876898   -2.490085    1.430996
     54          1           0       -9.043079   -1.497258   -1.503435
     55          1           0       -9.832741   -0.067543    1.139713
     56          1           0       -9.937713    0.609476   -0.489883
     57          1           0      -10.945865   -0.770998   -0.031833
     58          1           0       -3.641132    0.062366   -1.843040
     59          1           0       -4.989452    0.597152   -2.873824
     60          1           0       -5.313853    3.057725   -3.206613
     61          1           0       -4.764437    4.167129   -1.915091
     62          1           0       -6.082846    3.006624   -1.584007
     63          1           0       -2.337134    0.628719   -0.515687
     64          1           0       -1.231650    3.106882    0.774775
     65          1           0        1.179545    3.253705    0.452318
     66          1           0        2.085835    1.561084   -1.882545
     67          1           0        2.141225    3.977586   -2.334319
     68          1           0        3.776335    3.334747   -2.275508
     69          1           0        1.309735    5.537044   -0.612411
     70          1           0        1.906480    7.240693    1.086862
     71          1           0        4.204252    7.305864    2.040413
     72          1           0        5.907821    5.658552    1.281387
     73          1           0        5.318462    3.945649   -0.408399
     74          1           0        3.606110    2.146680    0.774069
     75          1           0        4.378325    1.518619   -0.686887
     76          1           0        2.173140   -0.261454   -0.394686
     77          1           0        1.615948   -0.189974    1.724138
     78          1           0        4.847661   -0.496493    1.209223
     79          1           0        4.317412   -1.443233   -1.716293
     80          1           0        5.173017    0.048789   -1.327538
     81          1           0        5.453035   -3.560085   -1.616929
     82          1           0        7.569750   -4.825103   -1.326595
     83          1           0        9.553346   -3.724828   -0.302435
     84          1           0        9.414375   -1.352128    0.430055
     85          1           0        7.305373   -0.080641    0.141419
     86          1           0        3.872035   -2.485565    1.771922
     87          1           0        1.782085   -5.979037    0.570218
     88          1           0        1.795134   -5.059287   -1.010120
     89          1           0        0.373997   -3.430515    2.284689
     90          1           0       -3.260768   -3.810024    0.142937
     91          1           0       -2.018695    1.372367    2.466960
     92          1           0       -0.668236   -0.555205    0.727401
     93          1           0        0.184490   -0.550534    2.269836
     94          1           0       -1.548046   -0.860029    2.212107
     95          1           0        0.088278    1.478132    3.799045
     96          1           0        1.042936    1.868611    2.376130
     97          1           0       -0.191144    3.002840    2.963334
     98          1           0       -4.577120    0.773914    1.132565
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0659321      0.0301246      0.0222526
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3574.0336612751 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.244933351324     A.U. after   19 cycles
             Convg  =    0.9715D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000087165   -0.000414515    0.000086579
      2        6           0.000073933    0.000126790   -0.000179603
      3        6           0.000087146   -0.000074776    0.000477353
      4        6           0.000022227    0.000125357   -0.000136867
      5        7           0.000008120   -0.000028433   -0.000008846
      6        6           0.001089971    0.000398302    0.000462244
      7        6          -0.000621758    0.000461939   -0.000868572
      8        7          -0.001494939   -0.003213584    0.000125253
      9        6          -0.000281203    0.000387626    0.000714023
     10        6           0.003713406    0.002726852   -0.003423983
     11        8          -0.000772256   -0.000344546   -0.000221444
     12        7          -0.001142139   -0.002623499    0.002905965
     13        6           0.000052936   -0.000333223   -0.001224975
     14        6          -0.000242546    0.001511619    0.000340883
     15        8           0.000364868   -0.000428468   -0.000223217
     16        7           0.000200607    0.000224044   -0.001537449
     17        6          -0.000669434    0.000079772   -0.000072413
     18        6           0.000034917    0.000230477    0.000040362
     19        6          -0.000022929   -0.000321128    0.000112276
     20        6          -0.000356200    0.000250929   -0.000045508
     21        6          -0.000160169   -0.000116216    0.000040028
     22        6           0.000064858    0.000171232   -0.000021376
     23        6           0.000098437    0.000170620   -0.000083444
     24        6           0.000267959   -0.000038713    0.000068202
     25        6          -0.000695697    0.000111617   -0.000619843
     26        6          -0.000290601   -0.000082829    0.002148411
     27        8          -0.000833925   -0.000377523   -0.001812419
     28        6          -0.000740956    0.000563953    0.000509938
     29        6          -0.000040930   -0.000487658   -0.000538311
     30        6          -0.000120577   -0.000333498   -0.000063965
     31        6          -0.000382664   -0.000036164    0.000221372
     32        6           0.000225634    0.000058056   -0.000081889
     33        6           0.000037834   -0.000158142   -0.000063363
     34        6          -0.000050027    0.000175560    0.000041376
     35        6           0.000157621    0.000146257   -0.000037774
     36        7           0.000160154   -0.000714163   -0.000632474
     37        6           0.003927558   -0.000239169    0.000033175
     38        8          -0.001499494    0.000665555   -0.000423233
     39        8          -0.000427408    0.000144191   -0.000107761
     40        6          -0.000175993   -0.000617940    0.000279815
     41        6          -0.000034646   -0.000433765    0.000031930
     42        6           0.000068423    0.000289756    0.000455881
     43        7          -0.000070832    0.000455896    0.000034873
     44        6           0.000085768   -0.000554383    0.000144761
     45       16          -0.000342025    0.000046443   -0.000214888
     46        6           0.000415847   -0.000138590    0.000755907
     47        6          -0.000486228    0.000759458    0.000723449
     48        6          -0.000470013   -0.000456373    0.000401781
     49        6          -0.000008729    0.000449878   -0.000455997
     50       16           0.000174017   -0.000344228    0.000470119
     51        1           0.000069397    0.000038127    0.000086088
     52        1           0.000072486    0.000240337   -0.000057896
     53        1          -0.000074815    0.000033777   -0.000046706
     54        1          -0.000031742    0.000026325    0.000083070
     55        1          -0.000224385    0.000150734   -0.000053964
     56        1           0.000033709   -0.000001974   -0.000045745
     57        1          -0.000092994    0.000117991   -0.000282668
     58        1          -0.000033933    0.000105507    0.000195787
     59        1           0.000057787   -0.000351528    0.000147273
     60        1           0.000324289    0.000008563   -0.000065882
     61        1          -0.000241415   -0.000091891    0.000043974
     62        1           0.000308126    0.000252840    0.000171514
     63        1          -0.001246172    0.002025356   -0.000011348
     64        1           0.000125491    0.000185436    0.000055284
     65        1           0.000248549   -0.001118373    0.000014702
     66        1           0.000277065   -0.000390573   -0.000148237
     67        1           0.000175034    0.000014310    0.000229821
     68        1           0.000253962   -0.000077739    0.000122315
     69        1           0.000047177    0.000040877    0.000063026
     70        1          -0.000047965    0.000035050   -0.000022082
     71        1          -0.000032012    0.000042372   -0.000013401
     72        1           0.000003268   -0.000035912    0.000034957
     73        1          -0.000064539    0.000066513    0.000028435
     74        1           0.000298830   -0.000274737    0.000334649
     75        1          -0.000360531   -0.000409686   -0.000229019
     76        1          -0.000168586   -0.000068277    0.000661534
     77        1           0.000699142    0.000949042    0.000487548
     78        1          -0.000130893    0.000070668   -0.000206188
     79        1           0.000153077    0.000234936   -0.000155161
     80        1          -0.000098648    0.000001034    0.000146429
     81        1           0.000116610    0.000137303   -0.000070971
     82        1          -0.000027368   -0.000045003    0.000000168
     83        1           0.000068049    0.000028163   -0.000013619
     84        1           0.000000724    0.000005172    0.000008543
     85        1          -0.000025564    0.000047298    0.000027047
     86        1           0.000279761   -0.000281360    0.000153287
     87        1          -0.000265661    0.000174172    0.000147174
     88        1          -0.000069719    0.000657451   -0.000211143
     89        1           0.000049834    0.000207800   -0.000323536
     90        1          -0.000093347   -0.000089713    0.000089415
     91        1           0.000305782    0.000633890    0.000003173
     92        1           0.000688731    0.000274275   -0.000109173
     93        1          -0.000657244   -0.000531171   -0.000080357
     94        1           0.000290536   -0.000562460    0.000017903
     95        1           0.000334612   -0.000109840   -0.000038079
     96        1           0.000076971    0.000350546    0.000264427
     97        1          -0.000038263   -0.000140211   -0.000002979
     98        1          -0.000318283   -0.000396071    0.000044272
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003927558 RMS     0.000656156

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003324137 RMS     0.000431108
 Search for a local minimum.
 Step number  20 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20
 DE= -3.00D-04 DEPred=-3.69D-04 R= 8.12D-01
 SS=  1.41D+00  RLast= 6.51D-01 DXNew= 2.8180D+00 1.9537D+00
 Trust test= 8.12D-01 RLast= 6.51D-01 DXMaxT set to 1.95D+00
     Eigenvalues ---    0.00082   0.00173   0.00323   0.00375   0.00436
     Eigenvalues ---    0.00529   0.00596   0.00653   0.00676   0.00748
     Eigenvalues ---    0.00813   0.00865   0.00918   0.00936   0.00953
     Eigenvalues ---    0.01028   0.01044   0.01128   0.01209   0.01218
     Eigenvalues ---    0.01271   0.01341   0.01374   0.01392   0.01415
     Eigenvalues ---    0.01439   0.01502   0.01559   0.01584   0.01588
     Eigenvalues ---    0.01665   0.01747   0.01758   0.01874   0.01926
     Eigenvalues ---    0.01968   0.01988   0.02074   0.02079   0.02193
     Eigenvalues ---    0.02194   0.02203   0.02218   0.02220   0.02258
     Eigenvalues ---    0.02269   0.02290   0.02328   0.02374   0.02406
     Eigenvalues ---    0.02408   0.02414   0.02448   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02635   0.02701   0.02739
     Eigenvalues ---    0.03143   0.03382   0.04001   0.04060   0.04108
     Eigenvalues ---    0.04169   0.04224   0.04432   0.04475   0.04787
     Eigenvalues ---    0.04796   0.04903   0.04953   0.04969   0.05110
     Eigenvalues ---    0.05160   0.05242   0.05367   0.05417   0.05446
     Eigenvalues ---    0.05494   0.05536   0.05545   0.05711   0.05723
     Eigenvalues ---    0.05794   0.05810   0.05886   0.05912   0.05971
     Eigenvalues ---    0.06218   0.06352   0.06431   0.06547   0.06852
     Eigenvalues ---    0.06928   0.07121   0.07514   0.07588   0.08058
     Eigenvalues ---    0.08597   0.09171   0.09514   0.09853   0.10382
     Eigenvalues ---    0.11993   0.12517   0.12907   0.13124   0.13467
     Eigenvalues ---    0.13948   0.14099   0.14349   0.15736   0.15892
     Eigenvalues ---    0.15946   0.15973   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16005
     Eigenvalues ---    0.16010   0.16023   0.16035   0.16042   0.16063
     Eigenvalues ---    0.16112   0.16122   0.16222   0.16466   0.16912
     Eigenvalues ---    0.17084   0.17265   0.17687   0.17946   0.18070
     Eigenvalues ---    0.18347   0.18540   0.18829   0.20247   0.21096
     Eigenvalues ---    0.21258   0.21690   0.21813   0.21863   0.21990
     Eigenvalues ---    0.22000   0.22000   0.22004   0.22062   0.22158
     Eigenvalues ---    0.22322   0.22830   0.22967   0.23208   0.23445
     Eigenvalues ---    0.23490   0.23668   0.23732   0.24272   0.24472
     Eigenvalues ---    0.24927   0.24974   0.24995   0.25001   0.25020
     Eigenvalues ---    0.25038   0.25080   0.25168   0.25504   0.25843
     Eigenvalues ---    0.28920   0.29498   0.29680   0.29778   0.29900
     Eigenvalues ---    0.30093   0.30186   0.30290   0.30476   0.30743
     Eigenvalues ---    0.30995   0.31209   0.31344   0.31422   0.31435
     Eigenvalues ---    0.31526   0.31559   0.31665   0.31748   0.31993
     Eigenvalues ---    0.32120   0.32388   0.32443   0.32459   0.32608
     Eigenvalues ---    0.32679   0.32766   0.32785   0.32846   0.32946
     Eigenvalues ---    0.33017   0.33027   0.33065   0.33141   0.33193
     Eigenvalues ---    0.33301   0.33370   0.33485   0.33550   0.33573
     Eigenvalues ---    0.33671   0.33693   0.33816   0.33913   0.33991
     Eigenvalues ---    0.34002   0.34162   0.34230   0.34291   0.34334
     Eigenvalues ---    0.34380   0.34465   0.34499   0.34584   0.34718
     Eigenvalues ---    0.34828   0.35250   0.36076   0.36250   0.36313
     Eigenvalues ---    0.36376   0.36629   0.36835   0.36948   0.37150
     Eigenvalues ---    0.37907   0.38537   0.38949   0.39564   0.41007
     Eigenvalues ---    0.41596   0.41983   0.42539   0.42615   0.43024
     Eigenvalues ---    0.43318   0.44166   0.44270   0.45129   0.45881
     Eigenvalues ---    0.46593   0.47514   0.47627   0.48370   0.48519
     Eigenvalues ---    0.48600   0.48943   0.49501   0.50076   0.50470
     Eigenvalues ---    0.50902   0.51245   0.51429   0.53119   0.56384
     Eigenvalues ---    0.58293   0.59227   0.62521   0.65185   0.75947
     Eigenvalues ---    0.77595   0.78862   0.838541000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    20   19   18   17   16
 RFO step:  Lambda=-1.87892676D-04.
 DIIS coeffs:      1.23144     -0.65444     -0.81658      0.99632      0.24327
 Iteration  1 RMS(Cart)=  0.10108491 RMS(Int)=  0.00079478
 Iteration  2 RMS(Cart)=  0.00271845 RMS(Int)=  0.00011290
 Iteration  3 RMS(Cart)=  0.00000157 RMS(Int)=  0.00011290
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00011290
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89407   0.00000  -0.00055   0.00045  -0.00010   2.89397
    R2        2.07184   0.00009   0.00057  -0.00035   0.00021   2.07205
    R3        2.07299  -0.00002  -0.00009   0.00003  -0.00006   2.07293
    R4        2.07283  -0.00007  -0.00011  -0.00010  -0.00021   2.07262
    R5        2.89538  -0.00026   0.00026  -0.00011   0.00015   2.89553
    R6        2.82788   0.00019  -0.00025   0.00122   0.00097   2.82884
    R7        2.13143  -0.00003  -0.00002  -0.00017  -0.00020   2.13123
    R8        2.07298  -0.00019  -0.00041  -0.00012  -0.00054   2.07244
    R9        2.07330   0.00005   0.00029   0.00019   0.00048   2.07378
   R10        2.07212  -0.00004  -0.00034   0.00010  -0.00025   2.07188
   R11        2.47900   0.00016  -0.00016   0.00023   0.00008   2.47907
   R12        3.36791   0.00043   0.00201  -0.00008   0.00193   3.36983
   R13        2.68408   0.00002   0.00001  -0.00052  -0.00051   2.68357
   R14        2.83953   0.00098   0.00167   0.00181   0.00347   2.84300
   R15        2.58044  -0.00021  -0.00031  -0.00025  -0.00056   2.57989
   R16        2.79787   0.00047   0.00022   0.00087   0.00109   2.79896
   R17        2.11185   0.00010   0.00017  -0.00024  -0.00008   2.11178
   R18        2.12216  -0.00036  -0.00099  -0.00035  -0.00134   2.12083
   R19        2.81118  -0.00042  -0.00184   0.00193   0.00008   2.81126
   R20        2.69226  -0.00240  -0.00689   0.00074  -0.00615   2.68611
   R21        2.08302   0.00003  -0.00043   0.00053   0.00010   2.08312
   R22        2.09348   0.00004  -0.00009   0.00049   0.00039   2.09388
   R23        2.08045   0.00039   0.00106   0.00039   0.00145   2.08191
   R24        2.31628   0.00015  -0.00014   0.00119   0.00106   2.31734
   R25        2.67602   0.00332   0.00775   0.00163   0.00938   2.68540
   R26        2.80244  -0.00045   0.00006   0.00203   0.00209   2.80453
   R27        1.93383   0.00231   0.00555   0.00026   0.00581   1.93964
   R28        2.91352   0.00057  -0.00018   0.00107   0.00089   2.91441
   R29        2.94142   0.00183   0.00044   0.00421   0.00465   2.94607
   R30        2.13438  -0.00011  -0.00032   0.00017  -0.00015   2.13423
   R31        2.31792  -0.00054  -0.00011   0.00024   0.00013   2.31805
   R32        2.61885   0.00118   0.00036   0.00047   0.00082   2.61968
   R33        2.80897   0.00053   0.00020   0.00053   0.00073   2.80970
   R34        1.92006   0.00113   0.00200   0.00088   0.00288   1.92294
   R35        2.92272  -0.00072   0.00009  -0.00091  -0.00082   2.92190
   R36        2.91486   0.00053   0.00031   0.00003   0.00034   2.91520
   R37        2.13700  -0.00039  -0.00098   0.00023  -0.00075   2.13625
   R38        2.84135  -0.00028  -0.00013  -0.00001  -0.00014   2.84121
   R39        2.10314  -0.00004   0.00004  -0.00034  -0.00029   2.10284
   R40        2.09825  -0.00029  -0.00087   0.00046  -0.00041   2.09785
   R41        2.65424  -0.00047  -0.00041  -0.00041  -0.00082   2.65342
   R42        2.65268  -0.00027  -0.00006  -0.00019  -0.00025   2.65243
   R43        2.63993  -0.00008   0.00015  -0.00018  -0.00002   2.63991
   R44        2.05913   0.00005   0.00043  -0.00019   0.00024   2.05937
   R45        2.64331  -0.00021  -0.00008  -0.00032  -0.00040   2.64291
   R46        2.05906  -0.00005  -0.00001  -0.00016  -0.00017   2.05889
   R47        2.64243  -0.00014   0.00004  -0.00012  -0.00008   2.64235
   R48        2.05595  -0.00005  -0.00010  -0.00003  -0.00013   2.05582
   R49        2.64139  -0.00020  -0.00036  -0.00004  -0.00040   2.64099
   R50        2.05791   0.00003  -0.00004   0.00002  -0.00003   2.05788
   R51        2.05472   0.00009   0.00005   0.00017   0.00022   2.05494
   R52        2.89664   0.00085   0.00154  -0.00194  -0.00040   2.89624
   R53        2.10104   0.00042  -0.00002   0.00080   0.00078   2.10182
   R54        2.09477   0.00044   0.00158  -0.00159  -0.00001   2.09476
   R55        2.73101  -0.00127  -0.00298   0.00107  -0.00191   2.72910
   R56        2.95150  -0.00099  -0.00036  -0.00274  -0.00310   2.94840
   R57        2.10980  -0.00026  -0.00126   0.00088  -0.00038   2.10942
   R58        1.86841   0.00126  -0.00166   0.00338   0.00172   1.87013
   R59        2.90917   0.00030   0.00279  -0.00395  -0.00116   2.90801
   R60        2.81619  -0.00053  -0.00172   0.00122  -0.00049   2.81570
   R61        2.12586  -0.00010  -0.00050   0.00037  -0.00012   2.12573
   R62        2.83916  -0.00001   0.00010  -0.00037  -0.00027   2.83889
   R63        2.11036   0.00029   0.00016   0.00071   0.00087   2.11124
   R64        2.10238  -0.00013   0.00016  -0.00149  -0.00133   2.10104
   R65        2.65055   0.00013   0.00046  -0.00019   0.00027   2.65082
   R66        2.65361  -0.00028  -0.00050  -0.00007  -0.00057   2.65304
   R67        2.64149  -0.00025  -0.00055  -0.00014  -0.00069   2.64080
   R68        2.05902   0.00018   0.00013   0.00076   0.00089   2.05990
   R69        2.64225  -0.00003   0.00032  -0.00003   0.00029   2.64254
   R70        2.05793  -0.00002   0.00000  -0.00016  -0.00016   2.05777
   R71        2.64377  -0.00017  -0.00029  -0.00024  -0.00053   2.64325
   R72        2.05566  -0.00007  -0.00002  -0.00018  -0.00020   2.05546
   R73        2.63990  -0.00003   0.00031  -0.00030   0.00001   2.63991
   R74        2.05745   0.00000   0.00011  -0.00011  -0.00001   2.05744
   R75        2.05479  -0.00006   0.00004  -0.00008  -0.00004   2.05475
   R76        2.60586   0.00085   0.00047   0.00124   0.00171   2.60758
   R77        1.92290   0.00023   0.00048   0.00078   0.00126   1.92416
   R78        2.29323   0.00060   0.00050   0.00071   0.00121   2.29444
   R79        2.65061   0.00033  -0.00102   0.00022  -0.00080   2.64982
   R80        2.75445  -0.00011  -0.00040  -0.00086  -0.00126   2.75319
   R81        2.79640  -0.00034  -0.00072   0.00040  -0.00032   2.79608
   R82        2.09958   0.00028   0.00014  -0.00048  -0.00034   2.09924
   R83        2.09750   0.00053   0.00164   0.00028   0.00191   2.09941
   R84        2.58728  -0.00029  -0.00065   0.00000  -0.00064   2.58664
   R85        3.29156  -0.00014   0.00094  -0.00074   0.00020   3.29176
   R86        2.66636  -0.00024   0.00070  -0.00122  -0.00052   2.66584
   R87        2.05394  -0.00032  -0.00024  -0.00014  -0.00038   2.05355
   R88        2.47882  -0.00053  -0.00156   0.00064  -0.00091   2.47791
   R89        3.34836   0.00021   0.00310  -0.00118   0.00192   3.35028
   R90        2.04789  -0.00014  -0.00053  -0.00008  -0.00061   2.04728
   R91        2.89357   0.00033  -0.00001   0.00158   0.00157   2.89514
   R92        2.89217   0.00044   0.00030   0.00013   0.00043   2.89260
   R93        2.12048   0.00030   0.00119  -0.00029   0.00090   2.12138
   R94        2.08007   0.00001  -0.00093   0.00081  -0.00012   2.07995
   R95        2.07776   0.00070  -0.00024   0.00191   0.00167   2.07944
   R96        2.07718  -0.00009  -0.00024  -0.00052  -0.00077   2.07642
   R97        2.07430  -0.00001  -0.00014   0.00018   0.00005   2.07435
   R98        2.08124  -0.00020  -0.00069  -0.00040  -0.00109   2.08015
   R99        2.06902   0.00007  -0.00013   0.00025   0.00012   2.06915
   R100       3.27925   0.00026   0.00107  -0.00017   0.00090   3.28015
   R101       2.03870   0.00050   0.00096  -0.00004   0.00093   2.03963
    A1        1.93395   0.00004  -0.00025  -0.00017  -0.00042   1.93353
    A2        1.94798   0.00002   0.00010  -0.00022  -0.00011   1.94787
    A3        1.95982   0.00002   0.00163  -0.00078   0.00086   1.96068
    A4        1.87431  -0.00009  -0.00054  -0.00033  -0.00087   1.87344
    A5        1.86883  -0.00003  -0.00215   0.00154  -0.00061   1.86822
    A6        1.87468   0.00004   0.00105   0.00004   0.00110   1.87578
    A7        1.95294  -0.00021  -0.00150  -0.00010  -0.00163   1.95131
    A8        1.93026   0.00012   0.00440  -0.00319   0.00122   1.93147
    A9        1.88956   0.00003   0.00006   0.00064   0.00071   1.89027
   A10        1.92181   0.00003  -0.00327   0.00336   0.00008   1.92189
   A11        1.88794   0.00005   0.00092  -0.00081   0.00011   1.88805
   A12        1.87905  -0.00002  -0.00060   0.00011  -0.00047   1.87858
   A13        1.96325  -0.00023  -0.00208   0.00118  -0.00090   1.96235
   A14        1.94311   0.00006   0.00004   0.00031   0.00035   1.94346
   A15        1.93601  -0.00009   0.00003  -0.00054  -0.00051   1.93550
   A16        1.87364   0.00010   0.00029   0.00008   0.00038   1.87402
   A17        1.86635   0.00024   0.00259  -0.00036   0.00223   1.86858
   A18        1.87722  -0.00006  -0.00074  -0.00075  -0.00149   1.87573
   A19        2.20839  -0.00003  -0.00053   0.00063   0.00012   2.20851
   A20        2.11793   0.00003   0.00040  -0.00019   0.00023   2.11816
   A21        1.95685   0.00000   0.00005  -0.00041  -0.00035   1.95651
   A22        1.96074  -0.00003  -0.00012   0.00037   0.00024   1.96099
   A23        2.03400   0.00054   0.00264  -0.00111   0.00154   2.03553
   A24        2.01036   0.00007   0.00060  -0.00014   0.00047   2.01083
   A25        2.23880  -0.00061  -0.00328   0.00126  -0.00202   2.23678
   A26        1.99554  -0.00007  -0.00452   0.00277  -0.00176   1.99378
   A27        1.91880  -0.00005  -0.00011   0.00126   0.00115   1.91995
   A28        1.91621  -0.00004   0.00029  -0.00325  -0.00296   1.91325
   A29        1.91087   0.00024   0.00238   0.00075   0.00313   1.91401
   A30        1.87984  -0.00011   0.00096  -0.00155  -0.00059   1.87926
   A31        1.83540   0.00005   0.00150  -0.00030   0.00120   1.83660
   A32        2.00333  -0.00123  -0.00159  -0.00096  -0.00234   2.00099
   A33        2.12353   0.00126   0.00385   0.00263   0.00680   2.13033
   A34        2.01835  -0.00015  -0.00061   0.00292   0.00253   2.02089
   A35        1.89562   0.00050   0.00459  -0.00014   0.00444   1.90006
   A36        1.92269  -0.00041  -0.00397   0.00235  -0.00161   1.92108
   A37        1.96529  -0.00003  -0.00134   0.00027  -0.00107   1.96422
   A38        1.88653  -0.00001   0.00184  -0.00180   0.00002   1.88655
   A39        1.90657  -0.00026  -0.00200  -0.00088  -0.00288   1.90369
   A40        1.88560   0.00022   0.00099   0.00008   0.00108   1.88668
   A41        2.11489   0.00015  -0.00002  -0.00046  -0.00050   2.11440
   A42        2.05304   0.00083   0.00254   0.00137   0.00389   2.05693
   A43        2.11508  -0.00098  -0.00245  -0.00116  -0.00363   2.11145
   A44        2.04638  -0.00078  -0.00884   0.00452  -0.00324   2.04314
   A45        2.08815   0.00005  -0.00909   0.00301  -0.00496   2.08318
   A46        1.98047   0.00051  -0.00455   0.00238  -0.00090   1.97957
   A47        1.89601  -0.00044   0.00026  -0.00190  -0.00166   1.89435
   A48        1.90783  -0.00050  -0.00283   0.00052  -0.00229   1.90554
   A49        1.89313   0.00013  -0.00080  -0.00068  -0.00147   1.89166
   A50        1.93059   0.00134   0.00590   0.00271   0.00860   1.93919
   A51        1.93323  -0.00037  -0.00224   0.00099  -0.00124   1.93199
   A52        1.90254  -0.00019  -0.00050  -0.00169  -0.00218   1.90036
   A53        2.12875   0.00015  -0.00066  -0.00090  -0.00150   2.12725
   A54        2.03551  -0.00039  -0.00141   0.00213   0.00077   2.03629
   A55        2.11889   0.00023   0.00176  -0.00121   0.00060   2.11948
   A56        2.10822   0.00056   0.00274  -0.00170   0.00105   2.10927
   A57        2.12190  -0.00006  -0.00053  -0.00055  -0.00107   2.12083
   A58        2.03689  -0.00049  -0.00238   0.00090  -0.00147   2.03541
   A59        1.91569  -0.00051  -0.00265   0.00071  -0.00194   1.91376
   A60        1.92855   0.00042   0.00242  -0.00225   0.00018   1.92873
   A61        1.87923   0.00005   0.00046  -0.00036   0.00011   1.87934
   A62        1.95247  -0.00012  -0.00142   0.00196   0.00053   1.95300
   A63        1.88719  -0.00001  -0.00097  -0.00030  -0.00128   1.88591
   A64        1.89869   0.00017   0.00218   0.00019   0.00238   1.90107
   A65        1.99415  -0.00014  -0.00118   0.00060  -0.00058   1.99357
   A66        1.89636  -0.00009  -0.00080  -0.00020  -0.00099   1.89538
   A67        1.89791   0.00005   0.00083   0.00011   0.00093   1.89884
   A68        1.91789   0.00011  -0.00002  -0.00009  -0.00011   1.91779
   A69        1.92567   0.00001   0.00031  -0.00068  -0.00037   1.92530
   A70        1.82386   0.00008   0.00103   0.00024   0.00127   1.82513
   A71        2.09708  -0.00026  -0.00052  -0.00040  -0.00092   2.09616
   A72        2.10168   0.00008   0.00011   0.00053   0.00065   2.10233
   A73        2.08440   0.00018   0.00041  -0.00014   0.00027   2.08467
   A74        2.09749  -0.00007  -0.00025   0.00020  -0.00005   2.09744
   A75        2.09570   0.00003   0.00005   0.00014   0.00019   2.09588
   A76        2.08993   0.00004   0.00020  -0.00034  -0.00013   2.08980
   A77        2.09874  -0.00002  -0.00007  -0.00004  -0.00012   2.09862
   A78        2.09089  -0.00001  -0.00022  -0.00001  -0.00023   2.09066
   A79        2.09355   0.00003   0.00030   0.00005   0.00035   2.09390
   A80        2.08955   0.00001   0.00012  -0.00002   0.00011   2.08966
   A81        2.09637   0.00002   0.00008  -0.00011  -0.00003   2.09634
   A82        2.09725  -0.00003  -0.00021   0.00013  -0.00008   2.09718
   A83        2.09922  -0.00003  -0.00004  -0.00005  -0.00010   2.09912
   A84        2.09319  -0.00001  -0.00017  -0.00020  -0.00038   2.09281
   A85        2.09078   0.00005   0.00022   0.00026   0.00047   2.09125
   A86        2.09691  -0.00007  -0.00016   0.00006  -0.00010   2.09681
   A87        2.09744   0.00000  -0.00006   0.00012   0.00005   2.09750
   A88        2.08882   0.00007   0.00022  -0.00017   0.00005   2.08887
   A89        1.95911   0.00083   0.00081  -0.00212  -0.00132   1.95779
   A90        1.92784  -0.00040  -0.00204  -0.00148  -0.00353   1.92431
   A91        1.90251  -0.00010  -0.00044   0.00524   0.00480   1.90731
   A92        1.89703  -0.00034   0.00041  -0.00339  -0.00299   1.89405
   A93        1.93191  -0.00015  -0.00005   0.00197   0.00191   1.93381
   A94        1.84196   0.00011   0.00131  -0.00013   0.00119   1.84315
   A95        1.83863  -0.00032   0.00058  -0.00244  -0.00186   1.83676
   A96        1.97105  -0.00069  -0.00087  -0.00012  -0.00097   1.97008
   A97        1.95577   0.00071   0.00303  -0.00083   0.00222   1.95799
   A98        1.82366   0.00084   0.00121   0.00593   0.00714   1.83080
   A99        1.92166  -0.00036  -0.00201  -0.00180  -0.00378   1.91788
   A100       1.94490  -0.00018  -0.00206  -0.00047  -0.00253   1.94237
   A101       1.93261  -0.00036  -0.00038  -0.00369  -0.00407   1.92854
   A102       1.95417  -0.00037  -0.00045  -0.00269  -0.00312   1.95104
   A103       1.90285  -0.00008  -0.00290  -0.00035  -0.00324   1.89961
   A104       1.88527   0.00011   0.00116  -0.00078   0.00037   1.88564
   A105       1.94321   0.00057   0.00053   0.00734   0.00789   1.95110
   A106       1.92301  -0.00009   0.00107  -0.00297  -0.00191   1.92110
   A107       1.85161  -0.00015   0.00060  -0.00064  -0.00004   1.85157
   A108       1.95117   0.00010  -0.00017   0.00026   0.00010   1.95127
   A109       1.91542  -0.00004  -0.00013   0.00012  -0.00002   1.91541
   A110       1.91185  -0.00002   0.00074  -0.00141  -0.00067   1.91118
   A111       1.93371  -0.00001  -0.00011  -0.00011  -0.00022   1.93350
   A112       1.92272  -0.00005  -0.00066   0.00104   0.00038   1.92309
   A113       1.82482   0.00001   0.00037   0.00007   0.00044   1.82526
   A114       2.09661  -0.00008   0.00005  -0.00034  -0.00029   2.09632
   A115       2.09835   0.00004  -0.00016   0.00055   0.00039   2.09874
   A116       2.08823   0.00004   0.00011  -0.00021  -0.00010   2.08813
   A117       2.09516  -0.00002   0.00001   0.00021   0.00022   2.09538
   A118       2.09380  -0.00006   0.00008  -0.00085  -0.00077   2.09303
   A119       2.09423   0.00007  -0.00009   0.00064   0.00055   2.09478
   A120       2.09875  -0.00003  -0.00010  -0.00016  -0.00026   2.09850
   A121       2.09015   0.00007   0.00040   0.00029   0.00069   2.09085
   A122       2.09428  -0.00003  -0.00030  -0.00013  -0.00043   2.09384
   A123       2.09063   0.00003   0.00010   0.00003   0.00012   2.09075
   A124       2.09683  -0.00004  -0.00041  -0.00003  -0.00045   2.09638
   A125       2.09573   0.00001   0.00032   0.00001   0.00032   2.09606
   A126       2.09854   0.00002  -0.00002   0.00002   0.00000   2.09854
   A127       2.09282  -0.00002   0.00023  -0.00009   0.00014   2.09296
   A128       2.09183  -0.00001  -0.00022   0.00007  -0.00015   2.09168
   A129       2.09506  -0.00005  -0.00010   0.00012   0.00001   2.09508
   A130       2.09703   0.00003   0.00023  -0.00051  -0.00028   2.09675
   A131       2.09109   0.00002  -0.00013   0.00039   0.00027   2.09136
   A132       2.13564   0.00110  -0.00269   0.00791   0.00603   2.14167
   A133       2.05433  -0.00072  -0.00054  -0.00383  -0.00356   2.05077
   A134       2.09272  -0.00040  -0.00019  -0.00338  -0.00275   2.08997
   A135       2.26075   0.00060  -0.00132   0.00398   0.00282   2.26357
   A136       1.88413  -0.00080  -0.00014  -0.00223  -0.00222   1.88191
   A137       2.13797   0.00028   0.00113  -0.00156  -0.00027   2.13770
   A138       2.01537   0.00169   0.00146   0.00174   0.00321   2.01858
   A139       1.91426   0.00039  -0.00053  -0.00156  -0.00208   1.91218
   A140       1.76523  -0.00007   0.00150   0.00014   0.00164   1.76687
   A141       1.90041   0.00009   0.00144   0.00125   0.00270   1.90311
   A142       1.95958  -0.00032   0.00095  -0.00050   0.00045   1.96003
   A143       1.97744   0.00005  -0.00194   0.00140  -0.00054   1.97690
   A144       1.93440  -0.00013  -0.00100  -0.00085  -0.00185   1.93254
   A145       2.25691   0.00021   0.00231  -0.00208   0.00024   2.25714
   A146       2.11571  -0.00026  -0.00290   0.00266  -0.00024   2.11547
   A147       1.91056   0.00004   0.00059  -0.00058   0.00001   1.91057
   A148       2.01351   0.00008   0.00008   0.00063   0.00070   2.01421
   A149       2.20868  -0.00007   0.00044  -0.00076  -0.00031   2.20837
   A150       2.06098  -0.00001  -0.00051   0.00012  -0.00039   2.06059
   A151       1.95661  -0.00002   0.00015  -0.00031  -0.00016   1.95644
   A152       1.96795   0.00009   0.00024  -0.00016   0.00008   1.96803
   A153       2.19537  -0.00010   0.00141  -0.00106   0.00035   2.19571
   A154       2.11986   0.00002  -0.00166   0.00124  -0.00042   2.11944
   A155       1.57610  -0.00020  -0.00107   0.00047  -0.00060   1.57550
   A156       1.96603   0.00065   0.00161   0.00517   0.00678   1.97282
   A157       1.91403   0.00016  -0.00109   0.00281   0.00171   1.91574
   A158       1.85611  -0.00032  -0.00035  -0.00374  -0.00408   1.85203
   A159       1.95236  -0.00060   0.00048  -0.00211  -0.00164   1.95072
   A160       1.89144  -0.00020  -0.00285  -0.00181  -0.00465   1.88678
   A161       1.87916   0.00031   0.00218  -0.00076   0.00142   1.88059
   A162       1.97885  -0.00017  -0.00137   0.00053  -0.00083   1.97802
   A163       1.96352  -0.00022   0.00020   0.00034   0.00056   1.96408
   A164       1.95330  -0.00067  -0.00375  -0.00184  -0.00557   1.94772
   A165       1.85804   0.00039   0.00477  -0.00104   0.00374   1.86178
   A166       1.84339   0.00033   0.00107   0.00002   0.00109   1.84448
   A167       1.85754   0.00046  -0.00060   0.00210   0.00154   1.85908
   A168       1.93242  -0.00003  -0.00008  -0.00038  -0.00046   1.93196
   A169       1.96984  -0.00038  -0.00198   0.00001  -0.00198   1.96786
   A170       1.95472   0.00026   0.00088   0.00044   0.00132   1.95603
   A171       1.85187   0.00017   0.00237  -0.00027   0.00210   1.85397
   A172       1.86525  -0.00016  -0.00072  -0.00055  -0.00127   1.86398
   A173       1.88376   0.00015  -0.00034   0.00070   0.00037   1.88413
   A174       1.91575   0.00014   0.00000   0.00010   0.00011   1.91585
   A175       2.24344  -0.00015  -0.00017   0.00093   0.00077   2.24421
   A176       2.12398   0.00001   0.00016  -0.00104  -0.00087   2.12310
   A177       1.58107  -0.00018  -0.00054   0.00007  -0.00047   1.58060
    D1        1.16801  -0.00006  -0.03286   0.01383  -0.01903   1.14898
    D2       -2.96571  -0.00009  -0.03500   0.01578  -0.01920  -2.98492
    D3       -0.91093  -0.00002  -0.03312   0.01447  -0.01865  -0.92958
    D4       -3.02718  -0.00014  -0.03364   0.01316  -0.02048  -3.04766
    D5       -0.87772  -0.00016  -0.03578   0.01511  -0.02065  -0.89838
    D6        1.17706  -0.00009  -0.03390   0.01380  -0.02010   1.15696
    D7       -0.92093  -0.00006  -0.03104   0.01250  -0.01854  -0.93947
    D8        1.22853  -0.00009  -0.03318   0.01446  -0.01871   1.20982
    D9       -2.99987  -0.00002  -0.03130   0.01315  -0.01816  -3.01803
   D10        1.07553  -0.00001  -0.02490  -0.00093  -0.02584   1.04969
   D11       -3.10380   0.00000  -0.02593   0.00021  -0.02573  -3.12953
   D12       -1.01398  -0.00009  -0.02682  -0.00089  -0.02772  -1.04170
   D13       -1.07870  -0.00003  -0.02715   0.00082  -0.02632  -1.10502
   D14        1.02515  -0.00003  -0.02818   0.00196  -0.02621   0.99894
   D15        3.11497  -0.00012  -0.02906   0.00085  -0.02820   3.08677
   D16       -3.12776  -0.00006  -0.02515  -0.00072  -0.02586   3.12957
   D17       -1.02390  -0.00005  -0.02618   0.00043  -0.02576  -1.04966
   D18        1.06592  -0.00015  -0.02706  -0.00068  -0.02774   1.03817
   D19        2.14965   0.00008   0.08096  -0.06401   0.01693   2.16658
   D20       -0.99882   0.00008   0.07694  -0.05732   0.01960  -0.97921
   D21       -1.96613  -0.00009   0.07974  -0.06400   0.01576  -1.95037
   D22        1.16859  -0.00009   0.07573  -0.05731   0.01843   1.18702
   D23        0.08844  -0.00002   0.07873  -0.06306   0.01567   0.10410
   D24       -3.06003  -0.00002   0.07471  -0.05637   0.01834  -3.04169
   D25        3.13396   0.00003  -0.00314   0.00618   0.00303   3.13698
   D26       -0.00130   0.00003   0.00054   0.00001   0.00056  -0.00073
   D27       -3.13649  -0.00002   0.00309  -0.00561  -0.00253  -3.13902
   D28       -0.00086  -0.00003  -0.00041   0.00020  -0.00021  -0.00107
   D29        3.13737  -0.00009  -0.00330   0.00098  -0.00230   3.13507
   D30        0.00364  -0.00003  -0.00044  -0.00030  -0.00075   0.00289
   D31        2.20733  -0.00011  -0.01457  -0.01002  -0.02458   2.18274
   D32       -1.91850   0.00011  -0.01483  -0.00601  -0.02084  -1.93933
   D33        0.09259   0.00011  -0.01291  -0.00751  -0.02042   0.07217
   D34       -0.94333  -0.00019  -0.01780  -0.00855  -0.02634  -0.96967
   D35        1.21404   0.00003  -0.01805  -0.00454  -0.02260   1.19144
   D36       -3.05806   0.00004  -0.01614  -0.00604  -0.02218  -3.08024
   D37       -0.00417   0.00000   0.00012   0.00044   0.00057  -0.00361
   D38       -3.13964  -0.00006  -0.00045   0.00130   0.00084  -3.13880
   D39       -3.13681   0.00008   0.00328  -0.00100   0.00230  -3.13451
   D40        0.01091   0.00001   0.00272  -0.00014   0.00257   0.01349
   D41       -1.27396   0.00034   0.01052  -0.00321   0.00730  -1.26666
   D42        1.30314   0.00001   0.01492   0.00618   0.02111   1.32425
   D43        2.84761   0.00027   0.01210  -0.00748   0.00461   2.85222
   D44       -0.85848  -0.00006   0.01650   0.00192   0.01843  -0.84005
   D45        0.86073   0.00015   0.00862  -0.00668   0.00192   0.86265
   D46       -2.84536  -0.00017   0.01302   0.00271   0.01574  -2.82962
   D47       -1.16934   0.00011   0.05550  -0.03273   0.02270  -1.14664
   D48        3.05072   0.00007   0.05288  -0.03182   0.02096   3.07168
   D49        0.94457   0.00010   0.05528  -0.03376   0.02144   0.96601
   D50        2.50171  -0.00009   0.04967  -0.04154   0.00822   2.50994
   D51        0.43859  -0.00013   0.04705  -0.04064   0.00648   0.44507
   D52       -1.66756  -0.00010   0.04945  -0.04257   0.00696  -1.66060
   D53       -2.85233  -0.00008  -0.02695  -0.00718  -0.03418  -2.88650
   D54        0.30933   0.00012  -0.03085   0.00724  -0.02363   0.28570
   D55       -0.27973  -0.00073  -0.02281   0.00113  -0.02165  -0.30138
   D56        2.88193  -0.00052  -0.02671   0.01555  -0.01111   2.87082
   D57        2.78295   0.00001   0.00159  -0.00296  -0.00163   2.78132
   D58        0.27047   0.00020   0.03358  -0.02030   0.01356   0.28403
   D59       -0.33857   0.00020  -0.00232   0.01145   0.00885  -0.32972
   D60       -2.85105   0.00039   0.02966  -0.00589   0.02404  -2.82701
   D61       -1.76894   0.00070   0.02161  -0.01348   0.00818  -1.76076
   D62        2.40610  -0.00037   0.01599  -0.01594   0.00009   2.40619
   D63        0.33365   0.00007   0.01861  -0.01380   0.00486   0.33852
   D64        0.78121   0.00039  -0.01044   0.00298  -0.00751   0.77370
   D65       -1.32694  -0.00067  -0.01607   0.00052  -0.01560  -1.34254
   D66        2.88380  -0.00024  -0.01344   0.00266  -0.01082   2.87298
   D67       -0.53828  -0.00015   0.00443  -0.02128  -0.01682  -0.55510
   D68        2.59404  -0.00055  -0.00865  -0.01819  -0.02683   2.56721
   D69        1.55576  -0.00023   0.00474  -0.02019  -0.01546   1.54030
   D70       -1.59510  -0.00063  -0.00834  -0.01710  -0.02547  -1.62057
   D71       -2.61587   0.00018   0.00656  -0.01985  -0.01327  -2.62915
   D72        0.51645  -0.00021  -0.00652  -0.01676  -0.02328   0.49317
   D73        1.20589  -0.00002   0.00774  -0.00219   0.00556   1.21145
   D74       -2.89076  -0.00021   0.00873   0.00099   0.00974  -2.88102
   D75       -0.86358   0.00006   0.01055  -0.00051   0.01005  -0.85352
   D76       -0.88104   0.00001   0.00561  -0.00184   0.00375  -0.87730
   D77        1.30549  -0.00017   0.00660   0.00134   0.00793   1.31342
   D78       -2.95051   0.00009   0.00842  -0.00017   0.00824  -2.94227
   D79       -3.01071  -0.00026   0.00491  -0.00370   0.00120  -3.00951
   D80       -0.82418  -0.00045   0.00589  -0.00052   0.00538  -0.81879
   D81        1.20301  -0.00019   0.00771  -0.00202   0.00569   1.20870
   D82        3.07620   0.00000   0.01656  -0.01519   0.00136   3.07756
   D83        0.13326   0.00004   0.01757  -0.00717   0.01038   0.14365
   D84       -0.07460  -0.00039   0.00348  -0.01211  -0.00862  -0.08322
   D85       -3.01754  -0.00036   0.00449  -0.00409   0.00041  -3.01713
   D86        2.41608  -0.00012  -0.05321   0.04875  -0.00446   2.41162
   D87       -1.70574  -0.00033  -0.05520   0.05019  -0.00500  -1.71074
   D88        0.36566   0.00015  -0.05088   0.04893  -0.00194   0.36371
   D89       -0.91485  -0.00011  -0.05398   0.04096  -0.01303  -0.92788
   D90        1.24652  -0.00032  -0.05597   0.04240  -0.01357   1.23295
   D91       -2.96527   0.00016  -0.05165   0.04114  -0.01052  -2.97579
   D92        1.06121   0.00015   0.01363  -0.00787   0.00575   1.06696
   D93       -1.08705   0.00018   0.01506  -0.00802   0.00704  -1.08002
   D94       -3.06239   0.00011   0.01383  -0.00825   0.00557  -3.05681
   D95       -1.08612   0.00006   0.01339  -0.00686   0.00653  -1.07959
   D96        3.04880   0.00008   0.01481  -0.00700   0.00782   3.05662
   D97        1.07347   0.00001   0.01359  -0.00724   0.00635   1.07982
   D98        3.10666  -0.00008   0.01219  -0.00809   0.00409   3.11075
   D99        0.95839  -0.00005   0.01361  -0.00823   0.00538   0.96377
   D100      -1.01695  -0.00012   0.01239  -0.00847   0.00392  -1.01303
   D101       1.16631   0.00026   0.00931  -0.00918   0.00012   1.16644
   D102      -0.95388   0.00041   0.00966  -0.00233   0.00732  -0.94656
   D103      -2.97011   0.00056   0.00948  -0.00438   0.00510  -2.96502
   D104      -2.97685  -0.00017   0.00664  -0.00850  -0.00186  -2.97871
   D105       1.18615  -0.00002   0.00699  -0.00165   0.00533   1.19148
   D106      -0.83009   0.00013   0.00681  -0.00370   0.00311  -0.82698
   D107      -0.89320  -0.00015   0.00598  -0.00755  -0.00156  -0.89476
   D108      -3.01339   0.00000   0.00632  -0.00070   0.00563  -3.00776
   D109       1.25356   0.00015   0.00614  -0.00274   0.00341   1.25697
   D110      -1.58249  -0.00002   0.00665  -0.01178  -0.00513  -1.58762
   D111       1.56636  -0.00003   0.00632  -0.01158  -0.00526   1.56109
   D112       0.55408  -0.00016   0.00477  -0.01169  -0.00692   0.54716
   D113      -2.58026  -0.00016   0.00444  -0.01149  -0.00705  -2.58731
   D114       2.55611   0.00000   0.00618  -0.01184  -0.00566   2.55046
   D115      -0.57823   0.00000   0.00585  -0.01164  -0.00578  -0.58401
   D116       3.13723   0.00003   0.00124   0.00029   0.00153   3.13876
   D117      -0.01744   0.00004   0.00214   0.00041   0.00255  -0.01489
   D118      -0.01155   0.00004   0.00157   0.00010   0.00166  -0.00988
   D119       3.11697   0.00004   0.00247   0.00021   0.00268   3.11965
   D120      -3.13826  -0.00003  -0.00091  -0.00024  -0.00115  -3.13941
   D121       0.00849  -0.00002  -0.00048  -0.00037  -0.00085   0.00764
   D122       0.01053  -0.00003  -0.00123  -0.00004  -0.00127   0.00926
   D123      -3.12590  -0.00003  -0.00080  -0.00017  -0.00097  -3.12687
   D124       0.00389  -0.00002  -0.00084  -0.00005  -0.00089   0.00300
   D125      -3.14109  -0.00002  -0.00091   0.00004  -0.00087   3.14122
   D126      -3.12467  -0.00003  -0.00174  -0.00017  -0.00191  -3.12658
   D127       0.01354  -0.00003  -0.00181  -0.00008  -0.00189   0.01165
   D128       0.00486  -0.00001  -0.00024  -0.00005  -0.00028   0.00457
   D129      -3.14114   0.00000  -0.00019   0.00005  -0.00015  -3.14128
   D130      -3.13335   0.00000  -0.00016  -0.00014  -0.00030  -3.13365
   D131       0.00385   0.00000  -0.00012  -0.00004  -0.00016   0.00369
   D132      -0.00587   0.00002   0.00057   0.00010   0.00068  -0.00519
   D133       3.13335   0.00002   0.00058   0.00024   0.00082   3.13418
   D134       3.14012   0.00001   0.00053   0.00001   0.00054   3.14066
   D135      -0.00384   0.00002   0.00054   0.00015   0.00068  -0.00315
   D136      -0.00186   0.00000   0.00016  -0.00006   0.00011  -0.00175
   D137       3.13460   0.00000  -0.00026   0.00007  -0.00019   3.13441
   D138      -3.14109  -0.00001   0.00016  -0.00020  -0.00004  -3.14113
   D139      -0.00463  -0.00001  -0.00027  -0.00007  -0.00034  -0.00497
   D140      -1.75461   0.00051   0.05802  -0.02452   0.03351  -1.72110
   D141       2.54866   0.00003   0.05668  -0.03010   0.02658   2.57524
   D142       0.33490   0.00025   0.05766  -0.02867   0.02898   0.36388
   D143       0.38312   0.00031   0.05628  -0.03018   0.02611   0.40924
   D144      -1.59679  -0.00016   0.05493  -0.03575   0.01918  -1.57760
   D145       2.47264   0.00006   0.05591  -0.03432   0.02158   2.49422
   D146       2.39846   0.00016   0.05806  -0.03120   0.02687   2.42532
   D147       0.41854  -0.00031   0.05672  -0.03678   0.01994   0.43848
   D148      -1.79522  -0.00009   0.05769  -0.03535   0.02234  -1.77288
   D149       2.32053   0.00038  -0.01462   0.01396  -0.00065   2.31989
   D150      -1.88179  -0.00016  -0.01475   0.01545   0.00069  -1.88109
   D151       0.20858  -0.00008  -0.01750   0.01736  -0.00016   0.20842
   D152      -1.00956   0.00008  -0.02391   0.00095  -0.02296  -1.03253
   D153       3.11556  -0.00033  -0.02228  -0.00632  -0.02859   3.08697
   D154       1.11084  -0.00018  -0.02208  -0.00498  -0.02705   1.08379
   D155      -2.99856   0.00031  -0.02488   0.00046  -0.02442  -3.02298
   D156       1.12656  -0.00011  -0.02325  -0.00681  -0.03005   1.09651
   D157      -0.87815   0.00004  -0.02305  -0.00546  -0.02852  -0.90667
   D158       1.20995   0.00034  -0.02217  -0.00066  -0.02284   1.18712
   D159      -0.94811  -0.00008  -0.02053  -0.00793  -0.02846  -0.97658
   D160      -2.95283   0.00007  -0.02033  -0.00659  -0.02693  -2.97975
   D161       2.96876  -0.00001   0.01037  -0.00056   0.00981   2.97858
   D162      -1.16157   0.00002   0.01002  -0.00044   0.00959  -1.15198
   D163       0.83247   0.00000   0.01080  -0.00107   0.00974   0.84220
   D164      -1.17921   0.00003   0.00671   0.00237   0.00908  -1.17013
   D165       0.97364   0.00006   0.00637   0.00249   0.00886   0.98250
   D166       2.96768   0.00004   0.00715   0.00186   0.00900   2.97669
   D167       0.87023   0.00015   0.00847   0.00422   0.01269   0.88292
   D168       3.02308   0.00018   0.00813   0.00435   0.01247   3.03555
   D169      -1.26607   0.00016   0.00891   0.00371   0.01262  -1.25345
   D170       1.27885   0.00051  -0.01771   0.02993   0.01222   1.29107
   D171      -1.89658  -0.00015  -0.05010   0.05362   0.00351  -1.89306
   D172      -0.88571   0.00066  -0.01550   0.02861   0.01312  -0.87259
   D173       2.22206  -0.00001  -0.04789   0.05230   0.00441   2.22647
   D174      -2.97796   0.00053  -0.01748   0.02851   0.01104  -2.96692
   D175       0.12980  -0.00013  -0.04987   0.05221   0.00233   0.13214
   D176       1.77680   0.00001  -0.00750   0.00539  -0.00211   1.77469
   D177      -1.36457   0.00001  -0.00689   0.00471  -0.00218  -1.36674
   D178      -0.36567   0.00000  -0.00713   0.00513  -0.00200  -0.36767
   D179       2.77615   0.00000  -0.00652   0.00445  -0.00207   2.77409
   D180      -2.37631   0.00002  -0.00713   0.00449  -0.00263  -2.37895
   D181       0.76551   0.00002  -0.00652   0.00381  -0.00270   0.76280
   D182       3.14076  -0.00001   0.00060  -0.00087  -0.00027   3.14050
   D183      -0.00093   0.00002   0.00132  -0.00075   0.00057  -0.00036
   D184      -0.00106   0.00000  -0.00001  -0.00019  -0.00020  -0.00125
   D185       3.14044   0.00003   0.00071  -0.00008   0.00064   3.14107
   D186      -3.14110   0.00000  -0.00059   0.00081   0.00022  -3.14088
   D187      -0.00162   0.00001  -0.00061   0.00079   0.00018  -0.00145
   D188       0.00072   0.00000   0.00002   0.00013   0.00015   0.00087
   D189       3.14019   0.00000   0.00000   0.00012   0.00011   3.14031
   D190       0.00090   0.00001   0.00003   0.00011   0.00014   0.00104
   D191      -3.14034   0.00001   0.00007   0.00014   0.00020  -3.14013
   D192      -3.14060  -0.00002  -0.00069   0.00000  -0.00069  -3.14129
   D193       0.00135  -0.00002  -0.00065   0.00002  -0.00063   0.00072
   D194      -0.00039   0.00000  -0.00007   0.00003  -0.00004  -0.00043
   D195      -3.14075   0.00000  -0.00008  -0.00003  -0.00011  -3.14087
   D196       3.14084  -0.00001  -0.00010   0.00000  -0.00010   3.14074
   D197       0.00048  -0.00001  -0.00012  -0.00006  -0.00018   0.00030
   D198       0.00005   0.00000   0.00008  -0.00008   0.00000   0.00005
   D199      -3.14040   0.00000  -0.00001  -0.00012  -0.00013  -3.14053
   D200       3.14041   0.00000   0.00010  -0.00003   0.00007   3.14048
   D201      -0.00004   0.00000   0.00001  -0.00007  -0.00006  -0.00010
   D202      -0.00021   0.00000  -0.00006   0.00000  -0.00005  -0.00027
   D203      -3.13970   0.00000  -0.00003   0.00002  -0.00001  -3.13971
   D204       3.14024   0.00000   0.00003   0.00004   0.00008   3.14031
   D205       0.00075   0.00000   0.00006   0.00006   0.00012   0.00087
   D206       0.01472   0.00065  -0.02409   0.01775  -0.00629   0.00842
   D207      -3.09889  -0.00286  -0.04167   0.00993  -0.03179  -3.13068
   D208      -3.09233   0.00134   0.00900  -0.00644   0.00261  -3.08971
   D209       0.07726  -0.00218  -0.00857  -0.01427  -0.02288   0.05438
   D210       2.92836   0.00235   0.00101   0.00677   0.00768   2.93604
   D211      -0.18763  -0.00087  -0.01525  -0.00049  -0.01564  -0.20328
   D212      -1.49591  -0.00086  -0.01112  -0.00739  -0.01851  -1.51442
   D213       2.71499  -0.00062  -0.01276  -0.00623  -0.01899   2.69599
   D214       0.67691  -0.00048  -0.01294  -0.00583  -0.01876   0.65815
   D215      -0.45813  -0.00007   0.03972  -0.05079  -0.01107  -0.46920
   D216       2.68000   0.00007   0.03817  -0.04799  -0.00983   2.67017
   D217       1.48979  -0.00010   0.04175  -0.05180  -0.01005   1.47974
   D218      -1.65527   0.00004   0.04020  -0.04900  -0.00881  -1.66408
   D219      -2.58551  -0.00051   0.03957  -0.05223  -0.01266  -2.59817
   D220       0.55261  -0.00036   0.03802  -0.04943  -0.01141   0.54120
   D221       3.13865   0.00021  -0.00267   0.00393   0.00127   3.13992
   D222      -0.01035   0.00021   0.00028   0.00203   0.00232  -0.00803
   D223       0.00020   0.00007  -0.00124   0.00139   0.00015   0.00035
   D224       3.13440   0.00008   0.00171  -0.00051   0.00119   3.13559
   D225       3.13964  -0.00017   0.00168  -0.00139   0.00030   3.13993
   D226      -0.00481  -0.00004   0.00042   0.00090   0.00132  -0.00349
   D227       0.00663  -0.00007   0.00169  -0.00388  -0.00219   0.00444
   D228      -3.12822  -0.00007  -0.00100  -0.00214  -0.00314  -3.13136
   D229      -0.01021   0.00003  -0.00129   0.00445   0.00316  -0.00705
   D230       3.13557  -0.00003   0.00009  -0.00365  -0.00357   3.13200
   D231       0.00886   0.00001   0.00052  -0.00317  -0.00264   0.00622
   D232      -3.13671   0.00006  -0.00078   0.00453   0.00375  -3.13296
   D233       0.01612  -0.00030   0.01491  -0.05698  -0.04207  -0.02595
   D234       2.12579  -0.00008   0.02035  -0.05769  -0.03734   2.08846
   D235      -2.06687  -0.00012   0.01717  -0.05605  -0.03890  -2.10577
   D236      -2.14941  -0.00054   0.01474  -0.06304  -0.04830  -2.19770
   D237      -0.03974  -0.00032   0.02018  -0.06375  -0.04356  -0.08330
   D238       2.05079  -0.00036   0.01699  -0.06211  -0.04512   2.00566
   D239       2.06480  -0.00044   0.01358  -0.05970  -0.04612   2.01868
   D240      -2.10871  -0.00022   0.01902  -0.06041  -0.04138  -2.15010
   D241      -0.01819  -0.00026   0.01584  -0.05877  -0.04295  -0.06114
   D242       3.07056  -0.00036  -0.02681  -0.00171  -0.02852   3.04204
   D243      -1.13962  -0.00041  -0.02517  -0.00232  -0.02748  -1.16710
   D244       0.99060  -0.00030  -0.02642  -0.00106  -0.02747   0.96313
   D245      -1.01824   0.00017  -0.02518   0.00559  -0.01959  -1.03784
   D246       1.05475   0.00011  -0.02354   0.00498  -0.01855   1.03620
   D247      -3.09821   0.00022  -0.02479   0.00624  -0.01854  -3.11675
   D248       1.05801  -0.00023  -0.02701   0.00166  -0.02536   1.03265
   D249       3.13101  -0.00029  -0.02537   0.00105  -0.02432   3.10669
   D250      -1.02195  -0.00018  -0.02662   0.00231  -0.02431  -1.04626
   D251       0.00280   0.00001   0.00015  -0.00036  -0.00021   0.00259
   D252       3.13876   0.00007   0.00069  -0.00113  -0.00045   3.13831
         Item               Value     Threshold  Converged?
 Maximum Force            0.003324     0.000450     NO 
 RMS     Force            0.000431     0.000300     NO 
 Maximum Displacement     0.692094     0.001800     NO 
 RMS     Displacement     0.101759     0.001200     NO 
 Predicted change in Energy=-1.680681D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -8.992312   -2.642620    0.141510
      2          6           0       -8.930965   -1.271490   -0.537825
      3          6           0      -10.007700   -0.322176   -0.001881
      4          6           0       -7.575232   -0.659209   -0.370527
      5          7           0       -6.782127   -0.243785   -1.329384
      6          6           0       -5.566053    0.293162   -0.829900
      7          6           0       -4.579490    0.791508   -1.850545
      8          7           0       -4.153951    2.195918   -1.649683
      9          6           0       -5.188133    3.211501   -1.984609
     10          6           0       -3.228918    2.566354   -0.636005
     11          8           0       -3.086054    3.738543   -0.305350
     12          7           0       -2.446422    1.538699   -0.043537
     13          6           0       -1.195157    1.951506    0.639438
     14          6           0       -0.006332    1.666238   -0.300677
     15          8           0       -0.016377    0.728824   -1.091785
     16          7           0        1.069375    2.537422   -0.225522
     17          6           0        2.297466    2.303765   -1.030422
     18          6           0        2.797173    3.644044   -1.617521
     19          6           0        3.166732    4.670917   -0.583363
     20          6           0        2.205323    5.585403   -0.124027
     21          6           0        2.546140    6.537975    0.839302
     22          6           0        3.847257    6.589372    1.349633
     23          6           0        4.809439    5.686035    0.887728
     24          6           0        4.473812    4.730515   -0.075333
     25          6           0        3.379386    1.610559   -0.176783
     26          6           0        2.979074    0.184804    0.218083
     27          8           0        2.466561    0.293380    1.563888
     28          6           0        4.200799   -0.779048    0.330681
     29          6           0        4.975195   -0.876932   -0.995513
     30          6           0        6.270657   -1.619719   -0.831577
     31          6           0        6.371669   -2.957333   -1.241821
     32          6           0        7.577665   -3.646822   -1.090003
     33          6           0        8.687796   -3.008530   -0.528188
     34          6           0        8.588782   -1.674996   -0.117855
     35          6           0        7.386012   -0.980360   -0.267464
     36          7           0        3.720844   -2.112539    0.790633
     37          6           0        3.031510   -2.980921   -0.030811
     38          8           0        2.708839   -2.856068   -1.194637
     39          8           0        2.721724   -4.125335    0.717905
     40          6           0        1.767629   -5.040505    0.105693
     41          6           0        0.390217   -4.620900    0.446202
     42          6           0       -0.060407   -3.925512    1.535680
     43          7           0       -1.449173   -3.679393    1.564566
     44          6           0       -2.060785   -4.180612    0.518577
     45         16           0       -0.951677   -4.994414   -0.599793
     46          6           0       -1.056330    1.160905    1.975899
     47          6           0       -0.770841   -0.329305    1.763958
     48          6           0        0.003751    1.821767    2.860503
     49          6           0       -5.438964    0.278973    0.529315
     50         16           0       -6.861268   -0.412440    1.244807
     51          1           0       -9.924587   -3.161106   -0.112089
     52          1           0       -8.163146   -3.287469   -0.174639
     53          1           0       -8.953153   -2.568161    1.235064
     54          1           0       -9.106945   -1.415316   -1.642485
     55          1           0       -9.908671   -0.142554    1.075457
     56          1           0       -9.964915    0.653658   -0.502080
     57          1           0      -11.010106   -0.733842   -0.168562
     58          1           0       -3.682026    0.125976   -1.871529
     59          1           0       -5.027543    0.714690   -2.876650
     60          1           0       -5.388432    3.172394   -3.067894
     61          1           0       -4.817586    4.226596   -1.739639
     62          1           0       -6.131030    3.050226   -1.438100
     63          1           0       -2.374510    0.627918   -0.511332
     64          1           0       -1.263842    3.054414    0.872654
     65          1           0        1.127991    3.248881    0.499635
     66          1           0        2.019791    1.625934   -1.891453
     67          1           0        2.010834    4.051493   -2.291264
     68          1           0        3.660363    3.442134   -2.285750
     69          1           0        1.192800    5.561785   -0.526320
     70          1           0        1.795233    7.244737    1.190971
     71          1           0        4.110274    7.331873    2.099981
     72          1           0        5.825223    5.727918    1.278007
     73          1           0        5.231334    4.037013   -0.432707
     74          1           0        3.570108    2.193721    0.750909
     75          1           0        4.339051    1.610587   -0.731597
     76          1           0        2.193113   -0.233987   -0.454901
     77          1           0        1.610171   -0.195202    1.649032
     78          1           0        4.875264   -0.392996    1.143970
     79          1           0        4.334993   -1.363033   -1.771413
     80          1           0        5.166096    0.144816   -1.390154
     81          1           0        5.508401   -3.458370   -1.679941
     82          1           0        7.651759   -4.684667   -1.411174
     83          1           0        9.625713   -3.546863   -0.411565
     84          1           0        9.452108   -1.175714    0.318917
     85          1           0        7.317019    0.056625    0.052194
     86          1           0        3.951653   -2.392848    1.741908
     87          1           0        2.047598   -6.000525    0.589445
     88          1           0        1.955968   -5.081932   -0.988404
     89          1           0        0.540959   -3.559621    2.363560
     90          1           0       -3.124726   -4.128333    0.321092
     91          1           0       -2.045473    1.255767    2.498203
     92          1           0       -0.733081   -0.619328    0.702864
     93          1           0        0.184165   -0.643504    2.211288
     94          1           0       -1.549727   -0.958636    2.216312
     95          1           0        0.042883    1.338915    3.845523
     96          1           0        1.017904    1.744414    2.439553
     97          1           0       -0.208993    2.881449    3.035767
     98          1           0       -4.615700    0.630843    1.132113
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0647966      0.0298510      0.0219799
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3562.0418396761 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.245396437613     A.U. after   19 cycles
             Convg  =    0.5637D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000008823   -0.000224454   -0.000029814
      2        6          -0.000020520   -0.000213586   -0.000190862
      3        6          -0.000025690   -0.000090349    0.000131899
      4        6          -0.000042989    0.000229419    0.000094086
      5        7           0.000187320    0.000044967    0.000093683
      6        6           0.000106250    0.000034993   -0.000285057
      7        6           0.000146324    0.000034065    0.000093073
      8        7          -0.001014481   -0.001405240    0.000319204
      9        6           0.000059997    0.000037139    0.000682408
     10        6           0.000616293    0.000995528   -0.002170076
     11        8          -0.000441348    0.000340189    0.000594618
     12        7           0.000285945   -0.001218769    0.001475930
     13        6          -0.000089879    0.000189772   -0.000176462
     14        6          -0.000061607    0.001201873    0.000785125
     15        8           0.000236209   -0.000585723    0.000020654
     16        7           0.000605393   -0.000129995   -0.000736661
     17        6          -0.000574825    0.000174863   -0.000037777
     18        6          -0.000113129    0.000023385    0.000001887
     19        6          -0.000098980   -0.000138772    0.000082731
     20        6          -0.000001315    0.000168119   -0.000063817
     21        6          -0.000042301   -0.000087043    0.000015575
     22        6           0.000077290    0.000017047   -0.000007015
     23        6           0.000030968    0.000036931   -0.000029659
     24        6          -0.000010817   -0.000000435    0.000044404
     25        6          -0.000351331   -0.000057898   -0.000651604
     26        6           0.000345446    0.000410947    0.000976153
     27        8          -0.000575872   -0.000071329   -0.000728731
     28        6          -0.000192596    0.000122125    0.001104581
     29        6           0.000049840    0.000394690   -0.000187998
     30        6          -0.000225745   -0.000141058   -0.000000049
     31        6          -0.000100481    0.000192144    0.000082169
     32        6           0.000086035   -0.000003961   -0.000034016
     33        6          -0.000023061   -0.000044629   -0.000007158
     34        6          -0.000093042    0.000021434    0.000041406
     35        6           0.000263409    0.000014423   -0.000099137
     36        7           0.000019202    0.000197011   -0.000613592
     37        6           0.001200364   -0.000065976   -0.001019948
     38        8          -0.000640476   -0.000554119    0.000339080
     39        8           0.000091259   -0.000199565    0.000075926
     40        6          -0.000081325   -0.000175394   -0.000233976
     41        6          -0.000101120   -0.000051612   -0.000062658
     42        6          -0.000002403   -0.000148908    0.000543572
     43        7           0.000177427   -0.000048777   -0.000289687
     44        6          -0.000069543    0.000074271    0.000440895
     45       16          -0.000062306   -0.000112910   -0.000304306
     46        6           0.000424328    0.000159170   -0.000204182
     47        6          -0.000448788    0.000619014   -0.000034214
     48        6           0.000051888    0.000027852    0.000278837
     49        6          -0.000016203    0.000044158   -0.000133064
     50       16           0.000152689   -0.000111710    0.000123757
     51        1           0.000076841    0.000042684    0.000072091
     52        1           0.000029554    0.000132084   -0.000053145
     53        1          -0.000079474    0.000014035   -0.000045302
     54        1          -0.000048695    0.000054503    0.000077488
     55        1          -0.000158900    0.000072322   -0.000019327
     56        1           0.000001340    0.000009038    0.000027658
     57        1          -0.000028784    0.000072386   -0.000133446
     58        1           0.000201135   -0.000129965    0.000182829
     59        1          -0.000076197   -0.000089402   -0.000135295
     60        1           0.000024099   -0.000055457    0.000077014
     61        1          -0.000168567    0.000002368    0.000038515
     62        1           0.000028566    0.000143312    0.000064324
     63        1          -0.000479157    0.000572998   -0.000390434
     64        1           0.000102261    0.000056363    0.000147214
     65        1          -0.000019805   -0.000356857    0.000054222
     66        1           0.000194203   -0.000263198    0.000047601
     67        1           0.000164378    0.000057109    0.000053196
     68        1           0.000186012   -0.000016258    0.000095985
     69        1           0.000035341    0.000029057    0.000027049
     70        1           0.000002145   -0.000002458   -0.000011147
     71        1          -0.000025629   -0.000005807   -0.000005198
     72        1          -0.000027440   -0.000012533    0.000024297
     73        1          -0.000009635    0.000045178   -0.000000747
     74        1           0.000046614   -0.000372055    0.000187539
     75        1           0.000047176   -0.000187542   -0.000259314
     76        1          -0.000075401   -0.000002455    0.000301943
     77        1           0.000647319    0.000673532    0.000736449
     78        1          -0.000265942    0.000051581    0.000042206
     79        1           0.000065132    0.000077459    0.000079653
     80        1          -0.000089278   -0.000098729   -0.000111487
     81        1           0.000038719    0.000015056   -0.000013377
     82        1          -0.000009372    0.000014326    0.000011829
     83        1           0.000001711   -0.000001532    0.000001369
     84        1          -0.000011358   -0.000003824    0.000004257
     85        1          -0.000060691    0.000004796    0.000024043
     86        1           0.000333025   -0.000133422    0.000019871
     87        1          -0.000291206    0.000095169    0.000229399
     88        1          -0.000026066    0.000239411    0.000037638
     89        1           0.000016628    0.000031801   -0.000206889
     90        1           0.000003782   -0.000070094   -0.000119238
     91        1           0.000254907    0.000336394   -0.000186193
     92        1           0.000464418   -0.000236010   -0.000232037
     93        1          -0.000320814   -0.000155359   -0.000640026
     94        1          -0.000154698   -0.000414999    0.000363406
     95        1           0.000219738   -0.000025101   -0.000060709
     96        1          -0.000122029    0.000081699   -0.000346879
     97        1          -0.000080217   -0.000046089   -0.000040318
     98        1          -0.000256211   -0.000168835   -0.000128714
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002170076 RMS     0.000338960

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001965794 RMS     0.000296663
 Search for a local minimum.
 Step number  21 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   20   21
 DE= -4.63D-04 DEPred=-1.68D-04 R= 2.76D+00
 SS=  1.41D+00  RLast= 2.57D-01 DXNew= 3.2857D+00 7.7061D-01
 Trust test= 2.76D+00 RLast= 2.57D-01 DXMaxT set to 1.95D+00
     Eigenvalues ---    0.00082   0.00159   0.00296   0.00332   0.00427
     Eigenvalues ---    0.00515   0.00555   0.00639   0.00669   0.00726
     Eigenvalues ---    0.00803   0.00834   0.00921   0.00934   0.00943
     Eigenvalues ---    0.01029   0.01043   0.01109   0.01217   0.01220
     Eigenvalues ---    0.01266   0.01275   0.01367   0.01382   0.01394
     Eigenvalues ---    0.01439   0.01510   0.01553   0.01583   0.01597
     Eigenvalues ---    0.01686   0.01747   0.01760   0.01865   0.01926
     Eigenvalues ---    0.01972   0.01988   0.02077   0.02082   0.02194
     Eigenvalues ---    0.02198   0.02203   0.02219   0.02220   0.02258
     Eigenvalues ---    0.02269   0.02290   0.02328   0.02374   0.02406
     Eigenvalues ---    0.02408   0.02414   0.02448   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02632   0.02700   0.02738
     Eigenvalues ---    0.03153   0.03386   0.04022   0.04076   0.04137
     Eigenvalues ---    0.04161   0.04318   0.04421   0.04486   0.04784
     Eigenvalues ---    0.04842   0.04917   0.04938   0.04973   0.05092
     Eigenvalues ---    0.05116   0.05224   0.05398   0.05422   0.05446
     Eigenvalues ---    0.05507   0.05537   0.05545   0.05686   0.05718
     Eigenvalues ---    0.05796   0.05830   0.05860   0.05908   0.05964
     Eigenvalues ---    0.06185   0.06289   0.06434   0.06470   0.06867
     Eigenvalues ---    0.07065   0.07131   0.07437   0.07539   0.08056
     Eigenvalues ---    0.08189   0.08644   0.09494   0.09834   0.10366
     Eigenvalues ---    0.11979   0.12523   0.12905   0.13117   0.13435
     Eigenvalues ---    0.13942   0.13980   0.14330   0.15696   0.15792
     Eigenvalues ---    0.15895   0.15951   0.15986   0.15997   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16003
     Eigenvalues ---    0.16010   0.16011   0.16038   0.16047   0.16050
     Eigenvalues ---    0.16083   0.16112   0.16203   0.16370   0.16895
     Eigenvalues ---    0.17115   0.17399   0.17594   0.17969   0.18197
     Eigenvalues ---    0.18395   0.18555   0.19334   0.20193   0.21144
     Eigenvalues ---    0.21344   0.21683   0.21851   0.21894   0.21997
     Eigenvalues ---    0.22000   0.22000   0.22005   0.22133   0.22154
     Eigenvalues ---    0.22600   0.22843   0.22994   0.23211   0.23447
     Eigenvalues ---    0.23485   0.23666   0.23724   0.24249   0.24380
     Eigenvalues ---    0.24776   0.24957   0.24978   0.24995   0.25002
     Eigenvalues ---    0.25032   0.25078   0.25238   0.25407   0.25564
     Eigenvalues ---    0.28952   0.29438   0.29706   0.29768   0.29900
     Eigenvalues ---    0.30065   0.30170   0.30289   0.30450   0.30726
     Eigenvalues ---    0.30955   0.31227   0.31339   0.31432   0.31441
     Eigenvalues ---    0.31511   0.31556   0.31665   0.31723   0.31990
     Eigenvalues ---    0.32113   0.32382   0.32443   0.32532   0.32592
     Eigenvalues ---    0.32663   0.32776   0.32793   0.32847   0.32944
     Eigenvalues ---    0.32998   0.33020   0.33063   0.33139   0.33159
     Eigenvalues ---    0.33299   0.33369   0.33515   0.33567   0.33630
     Eigenvalues ---    0.33673   0.33727   0.33899   0.33971   0.33990
     Eigenvalues ---    0.34068   0.34166   0.34231   0.34319   0.34345
     Eigenvalues ---    0.34399   0.34489   0.34527   0.34716   0.34806
     Eigenvalues ---    0.35179   0.35342   0.36250   0.36313   0.36359
     Eigenvalues ---    0.36376   0.36633   0.36835   0.36947   0.37140
     Eigenvalues ---    0.37528   0.38431   0.39040   0.39639   0.40996
     Eigenvalues ---    0.41203   0.42138   0.42549   0.42701   0.43002
     Eigenvalues ---    0.43321   0.43886   0.44239   0.44309   0.45140
     Eigenvalues ---    0.46283   0.47553   0.47718   0.48369   0.48530
     Eigenvalues ---    0.48600   0.48936   0.49342   0.49957   0.50295
     Eigenvalues ---    0.50914   0.51240   0.51388   0.53478   0.56340
     Eigenvalues ---    0.58205   0.59229   0.62525   0.65191   0.76021
     Eigenvalues ---    0.78139   0.82968   0.841161000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    21   20   19   18   17
 RFO step:  Lambda=-1.28532310D-04.
 DIIS coeffs:      0.63557      0.83812     -0.92408     -1.40677      1.85716
 Iteration  1 RMS(Cart)=  0.10240054 RMS(Int)=  0.00154778
 Iteration  2 RMS(Cart)=  0.00310662 RMS(Int)=  0.00011831
 Iteration  3 RMS(Cart)=  0.00000340 RMS(Int)=  0.00011829
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00011829
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89397  -0.00007  -0.00033   0.00062   0.00029   2.89426
    R2        2.07205   0.00009   0.00046  -0.00038   0.00008   2.07213
    R3        2.07293   0.00000  -0.00002   0.00002  -0.00001   2.07292
    R4        2.07262  -0.00006  -0.00004  -0.00012  -0.00016   2.07247
    R5        2.89553  -0.00022  -0.00039  -0.00026  -0.00065   2.89489
    R6        2.82884  -0.00029  -0.00096   0.00157   0.00062   2.82946
    R7        2.13123  -0.00001   0.00007  -0.00015  -0.00008   2.13115
    R8        2.07244  -0.00009  -0.00021  -0.00019  -0.00039   2.07205
    R9        2.07378  -0.00003  -0.00011   0.00042   0.00031   2.07409
   R10        2.07188   0.00001  -0.00010   0.00011   0.00001   2.07189
   R11        2.47907  -0.00008  -0.00022  -0.00007  -0.00030   2.47878
   R12        3.36983   0.00018   0.00091   0.00143   0.00234   3.37217
   R13        2.68357  -0.00001   0.00051  -0.00057  -0.00006   2.68351
   R14        2.84300  -0.00039   0.00026   0.00265   0.00292   2.84592
   R15        2.57989  -0.00017  -0.00003  -0.00088  -0.00091   2.57898
   R16        2.79896  -0.00035   0.00056  -0.00002   0.00053   2.79949
   R17        2.11178  -0.00015   0.00043  -0.00067  -0.00025   2.11153
   R18        2.12083   0.00001  -0.00029  -0.00077  -0.00106   2.11976
   R19        2.81126  -0.00054  -0.00177   0.00170  -0.00007   2.81119
   R20        2.68611  -0.00197  -0.00293  -0.00415  -0.00708   2.67903
   R21        2.08312  -0.00010  -0.00031   0.00050   0.00019   2.08331
   R22        2.09388  -0.00003  -0.00024   0.00087   0.00063   2.09451
   R23        2.08191   0.00008   0.00029   0.00122   0.00151   2.08342
   R24        2.31734  -0.00066  -0.00100   0.00201   0.00101   2.31835
   R25        2.68540   0.00000   0.00349   0.00457   0.00806   2.69346
   R26        2.80453  -0.00126  -0.00243   0.00344   0.00101   2.80554
   R27        1.93964   0.00064   0.00360   0.00194   0.00554   1.94518
   R28        2.91441  -0.00080  -0.00033   0.00028  -0.00005   2.91436
   R29        2.94607  -0.00117  -0.00095   0.00435   0.00339   2.94946
   R30        2.13423  -0.00006  -0.00050   0.00020  -0.00030   2.13393
   R31        2.31805  -0.00063  -0.00075   0.00084   0.00009   2.31815
   R32        2.61968   0.00012   0.00116  -0.00031   0.00086   2.62054
   R33        2.80970  -0.00008   0.00081   0.00041   0.00123   2.81093
   R34        1.92294   0.00033   0.00105   0.00211   0.00316   1.92610
   R35        2.92190  -0.00026  -0.00060  -0.00087  -0.00146   2.92043
   R36        2.91520   0.00014   0.00027   0.00095   0.00122   2.91642
   R37        2.13625  -0.00029  -0.00120  -0.00002  -0.00122   2.13504
   R38        2.84121  -0.00005  -0.00038   0.00042   0.00003   2.84125
   R39        2.10284   0.00009   0.00027  -0.00055  -0.00028   2.10256
   R40        2.09785  -0.00021  -0.00095   0.00073  -0.00022   2.09763
   R41        2.65342  -0.00003  -0.00021  -0.00056  -0.00077   2.65265
   R42        2.65243  -0.00005  -0.00017  -0.00001  -0.00017   2.65225
   R43        2.63991   0.00007   0.00009   0.00009   0.00018   2.64009
   R44        2.05937   0.00004   0.00027  -0.00018   0.00009   2.05946
   R45        2.64291  -0.00002   0.00002  -0.00050  -0.00049   2.64242
   R46        2.05889   0.00000   0.00006  -0.00021  -0.00015   2.05874
   R47        2.64235   0.00003  -0.00005   0.00014   0.00009   2.64244
   R48        2.05582   0.00000  -0.00004   0.00001  -0.00003   2.05579
   R49        2.64099  -0.00002  -0.00029  -0.00005  -0.00034   2.64065
   R50        2.05788   0.00003   0.00004   0.00002   0.00006   2.05794
   R51        2.05494   0.00003   0.00000   0.00031   0.00031   2.05525
   R52        2.89624   0.00126   0.00245  -0.00102   0.00142   2.89767
   R53        2.10182   0.00041   0.00029   0.00144   0.00173   2.10355
   R54        2.09476   0.00008   0.00228  -0.00305  -0.00077   2.09400
   R55        2.72910  -0.00024  -0.00271   0.00197  -0.00074   2.72836
   R56        2.94840  -0.00011   0.00005  -0.00387  -0.00382   2.94458
   R57        2.10942  -0.00009  -0.00139   0.00142   0.00003   2.10945
   R58        1.87013   0.00116  -0.00097   0.00639   0.00542   1.87555
   R59        2.90801   0.00037   0.00404  -0.00623  -0.00219   2.90582
   R60        2.81570  -0.00146  -0.00216   0.00076  -0.00140   2.81430
   R61        2.12573   0.00004  -0.00040   0.00084   0.00044   2.12617
   R62        2.83889   0.00012   0.00011  -0.00024  -0.00013   2.83876
   R63        2.11124   0.00007   0.00007   0.00137   0.00143   2.11267
   R64        2.10104   0.00014   0.00116  -0.00257  -0.00142   2.09963
   R65        2.65082   0.00016   0.00029   0.00017   0.00045   2.65127
   R66        2.65304  -0.00008  -0.00037  -0.00021  -0.00058   2.65247
   R67        2.64080  -0.00006  -0.00027  -0.00045  -0.00073   2.64008
   R68        2.05990   0.00003  -0.00034   0.00160   0.00126   2.06117
   R69        2.64254   0.00005  -0.00002   0.00045   0.00043   2.64297
   R70        2.05777   0.00002   0.00009  -0.00027  -0.00018   2.05759
   R71        2.64325   0.00000   0.00000  -0.00054  -0.00054   2.64270
   R72        2.05546   0.00000   0.00003  -0.00023  -0.00020   2.05526
   R73        2.63991   0.00011   0.00023  -0.00004   0.00019   2.64010
   R74        2.05744   0.00001   0.00009  -0.00016  -0.00007   2.05737
   R75        2.05475  -0.00004  -0.00005  -0.00010  -0.00015   2.05460
   R76        2.60758  -0.00094   0.00004   0.00046   0.00050   2.60807
   R77        1.92416   0.00004  -0.00028   0.00177   0.00149   1.92564
   R78        2.29444  -0.00065  -0.00029   0.00088   0.00059   2.29502
   R79        2.64982  -0.00003  -0.00048   0.00070   0.00022   2.65003
   R80        2.75319  -0.00028   0.00021  -0.00122  -0.00100   2.75219
   R81        2.79608  -0.00005  -0.00108   0.00091  -0.00017   2.79591
   R82        2.09924   0.00035   0.00106  -0.00108  -0.00002   2.09922
   R83        2.09941   0.00011   0.00076   0.00080   0.00157   2.10098
   R84        2.58664   0.00022  -0.00013  -0.00014  -0.00027   2.58637
   R85        3.29176  -0.00008   0.00036  -0.00022   0.00014   3.29190
   R86        2.66584   0.00007   0.00075  -0.00123  -0.00048   2.66536
   R87        2.05355  -0.00010  -0.00054   0.00016  -0.00038   2.05317
   R88        2.47791  -0.00004  -0.00108   0.00056  -0.00052   2.47739
   R89        3.35028   0.00008   0.00159  -0.00043   0.00116   3.35144
   R90        2.04728  -0.00002  -0.00014  -0.00026  -0.00040   2.04688
   R91        2.89514  -0.00015  -0.00029   0.00108   0.00079   2.89593
   R92        2.89260  -0.00008   0.00016   0.00012   0.00028   2.89288
   R93        2.12138   0.00018   0.00088   0.00008   0.00096   2.12235
   R94        2.07995  -0.00019  -0.00053   0.00099   0.00046   2.08041
   R95        2.07944   0.00004  -0.00025   0.00359   0.00334   2.08278
   R96        2.07642   0.00000   0.00049  -0.00094  -0.00045   2.07596
   R97        2.07435  -0.00005  -0.00018   0.00034   0.00016   2.07451
   R98        2.08015   0.00022  -0.00032  -0.00027  -0.00058   2.07957
   R99        2.06915   0.00001  -0.00026   0.00041   0.00015   2.06930
   R100       3.28015   0.00006   0.00062   0.00079   0.00141   3.28156
   R101       2.03963   0.00024   0.00117   0.00010   0.00128   2.04090
    A1        1.93353   0.00005   0.00030  -0.00049  -0.00019   1.93334
    A2        1.94787  -0.00002   0.00032  -0.00069  -0.00036   1.94750
    A3        1.96068   0.00001   0.00064  -0.00066  -0.00002   1.96066
    A4        1.87344  -0.00004  -0.00043  -0.00015  -0.00057   1.87287
    A5        1.86822  -0.00002  -0.00118   0.00170   0.00052   1.86874
    A6        1.87578   0.00002   0.00022   0.00042   0.00065   1.87643
    A7        1.95131   0.00001  -0.00068  -0.00037  -0.00107   1.95024
    A8        1.93147   0.00005   0.00240  -0.00434  -0.00193   1.92955
    A9        1.89027  -0.00006  -0.00039   0.00105   0.00067   1.89094
   A10        1.92189  -0.00012  -0.00275   0.00487   0.00211   1.92399
   A11        1.88805   0.00006   0.00090  -0.00094  -0.00003   1.88802
   A12        1.87858   0.00006   0.00056  -0.00027   0.00031   1.87888
   A13        1.96235  -0.00019  -0.00151   0.00126  -0.00024   1.96211
   A14        1.94346   0.00004  -0.00024   0.00086   0.00062   1.94408
   A15        1.93550  -0.00003   0.00007  -0.00081  -0.00074   1.93476
   A16        1.87402   0.00007   0.00031   0.00001   0.00032   1.87434
   A17        1.86858   0.00015   0.00141  -0.00003   0.00138   1.86996
   A18        1.87573  -0.00002   0.00008  -0.00141  -0.00133   1.87440
   A19        2.20851  -0.00007  -0.00053   0.00167   0.00118   2.20969
   A20        2.11816  -0.00005  -0.00017  -0.00075  -0.00089   2.11727
   A21        1.95651   0.00011   0.00060  -0.00090  -0.00028   1.95622
   A22        1.96099  -0.00016  -0.00046   0.00072   0.00025   1.96124
   A23        2.03553   0.00065   0.00198  -0.00057   0.00143   2.03696
   A24        2.01083   0.00017   0.00017   0.00037   0.00054   2.01137
   A25        2.23678  -0.00082  -0.00222   0.00022  -0.00199   2.23479
   A26        1.99378  -0.00063  -0.00133  -0.00088  -0.00222   1.99157
   A27        1.91995  -0.00006  -0.00100   0.00166   0.00066   1.92061
   A28        1.91325   0.00042   0.00146  -0.00355  -0.00209   1.91116
   A29        1.91401   0.00023   0.00121   0.00139   0.00260   1.91661
   A30        1.87926   0.00008  -0.00061   0.00054  -0.00008   1.87918
   A31        1.83660   0.00001   0.00044   0.00093   0.00137   1.83797
   A32        2.00099  -0.00026  -0.00588   0.00111  -0.00414   1.99685
   A33        2.13033   0.00008  -0.00180   0.00655   0.00557   2.13590
   A34        2.02089   0.00000  -0.00624   0.00828   0.00266   2.02355
   A35        1.90006   0.00004   0.00144   0.00158   0.00302   1.90307
   A36        1.92108  -0.00021  -0.00325   0.00320  -0.00006   1.92102
   A37        1.96422  -0.00004   0.00033  -0.00128  -0.00094   1.96328
   A38        1.88655   0.00006   0.00117  -0.00174  -0.00058   1.88596
   A39        1.90369  -0.00003  -0.00028  -0.00228  -0.00255   1.90115
   A40        1.88668   0.00018   0.00065   0.00041   0.00105   1.88773
   A41        2.11440   0.00070   0.00104  -0.00050   0.00054   2.11494
   A42        2.05693  -0.00028   0.00089   0.00259   0.00348   2.06041
   A43        2.11145  -0.00040  -0.00180  -0.00215  -0.00394   2.10751
   A44        2.04314  -0.00079  -0.00796   0.00367  -0.00327   2.03987
   A45        2.08318   0.00009  -0.00593   0.00047  -0.00440   2.07879
   A46        1.97957   0.00043  -0.00289   0.00164  -0.00003   1.97954
   A47        1.89435   0.00012   0.00016  -0.00233  -0.00219   1.89216
   A48        1.90554   0.00082  -0.00139   0.00115  -0.00022   1.90533
   A49        1.89166  -0.00032  -0.00121   0.00112  -0.00007   1.89160
   A50        1.93919  -0.00140   0.00297  -0.00154   0.00143   1.94062
   A51        1.93199   0.00069  -0.00121   0.00419   0.00300   1.93499
   A52        1.90036   0.00013   0.00048  -0.00252  -0.00202   1.89834
   A53        2.12725  -0.00017   0.00025  -0.00232  -0.00207   2.12517
   A54        2.03629   0.00037  -0.00123   0.00310   0.00186   2.03815
   A55        2.11948  -0.00019   0.00083  -0.00083  -0.00001   2.11948
   A56        2.10927  -0.00138   0.00073  -0.00348  -0.00278   2.10649
   A57        2.12083   0.00077   0.00089  -0.00145  -0.00058   2.12025
   A58        2.03541   0.00050  -0.00164   0.00106  -0.00061   2.03480
   A59        1.91376   0.00019  -0.00206   0.00083  -0.00123   1.91252
   A60        1.92873  -0.00053   0.00264  -0.00278  -0.00013   1.92860
   A61        1.87934  -0.00004  -0.00058  -0.00098  -0.00155   1.87780
   A62        1.95300   0.00048  -0.00110   0.00332   0.00222   1.95522
   A63        1.88591  -0.00009  -0.00029  -0.00068  -0.00097   1.88495
   A64        1.90107  -0.00003   0.00134   0.00016   0.00150   1.90258
   A65        1.99357  -0.00003  -0.00081   0.00120   0.00039   1.99396
   A66        1.89538  -0.00007  -0.00043  -0.00057  -0.00100   1.89438
   A67        1.89884   0.00000  -0.00004   0.00061   0.00056   1.89941
   A68        1.91779   0.00005   0.00022  -0.00016   0.00007   1.91786
   A69        1.92530   0.00001   0.00053  -0.00162  -0.00109   1.92421
   A70        1.82513   0.00004   0.00062   0.00052   0.00114   1.82627
   A71        2.09616  -0.00011  -0.00029  -0.00075  -0.00104   2.09512
   A72        2.10233   0.00001  -0.00028   0.00104   0.00075   2.10308
   A73        2.08467   0.00010   0.00058  -0.00029   0.00029   2.08496
   A74        2.09744  -0.00007  -0.00044   0.00038  -0.00006   2.09738
   A75        2.09588   0.00003   0.00005   0.00038   0.00043   2.09631
   A76        2.08980   0.00003   0.00039  -0.00075  -0.00036   2.08944
   A77        2.09862   0.00000   0.00001  -0.00013  -0.00012   2.09850
   A78        2.09066   0.00000  -0.00007  -0.00014  -0.00021   2.09045
   A79        2.09390   0.00000   0.00006   0.00027   0.00033   2.09423
   A80        2.08966   0.00001   0.00011   0.00000   0.00011   2.08977
   A81        2.09634   0.00002   0.00018  -0.00014   0.00004   2.09638
   A82        2.09718  -0.00003  -0.00030   0.00015  -0.00015   2.09703
   A83        2.09912   0.00001   0.00000  -0.00008  -0.00007   2.09905
   A84        2.09281   0.00001   0.00012  -0.00050  -0.00037   2.09244
   A85        2.09125  -0.00001  -0.00012   0.00057   0.00045   2.09170
   A86        2.09681  -0.00004  -0.00026   0.00012  -0.00013   2.09668
   A87        2.09750  -0.00002  -0.00012   0.00013   0.00002   2.09751
   A88        2.08887   0.00006   0.00037  -0.00025   0.00012   2.08898
   A89        1.95779  -0.00076   0.00008  -0.00103  -0.00098   1.95682
   A90        1.92431   0.00030  -0.00076  -0.00261  -0.00338   1.92094
   A91        1.90731   0.00004  -0.00146   0.00632   0.00484   1.91215
   A92        1.89405  -0.00001  -0.00017  -0.00508  -0.00526   1.88879
   A93        1.93381   0.00062   0.00256   0.00147   0.00403   1.93784
   A94        1.84315  -0.00015  -0.00025   0.00091   0.00068   1.84383
   A95        1.83676   0.00000  -0.00158  -0.00093  -0.00252   1.83425
   A96        1.97008   0.00066   0.00436  -0.00448  -0.00013   1.96995
   A97        1.95799   0.00001   0.00421  -0.00152   0.00265   1.96065
   A98        1.83080  -0.00020  -0.00419   0.01209   0.00793   1.83873
   A99        1.91788  -0.00008  -0.00227  -0.00300  -0.00523   1.91265
   A100       1.94237  -0.00040  -0.00138  -0.00122  -0.00260   1.93977
   A101       1.92854   0.00029   0.00194  -0.00483  -0.00289   1.92565
   A102       1.95104   0.00030   0.00353  -0.00719  -0.00361   1.94743
   A103       1.89961  -0.00096  -0.00631   0.00154  -0.00477   1.89484
   A104       1.88564   0.00033   0.00130   0.00062   0.00190   1.88754
   A105       1.95110   0.00029  -0.00087   0.00915   0.00831   1.95942
   A106       1.92110  -0.00013   0.00235  -0.00406  -0.00169   1.91941
   A107       1.85157   0.00015  -0.00024   0.00012  -0.00015   1.85141
   A108       1.95127   0.00014  -0.00002   0.00065   0.00064   1.95190
   A109       1.91541  -0.00014  -0.00001  -0.00052  -0.00053   1.91488
   A110       1.91118   0.00005   0.00124  -0.00177  -0.00053   1.91064
   A111       1.93350  -0.00005   0.00026  -0.00140  -0.00114   1.93235
   A112       1.92309  -0.00007  -0.00113   0.00196   0.00083   1.92393
   A113       1.82526   0.00006  -0.00033   0.00107   0.00073   1.82600
   A114       2.09632  -0.00011  -0.00004  -0.00090  -0.00094   2.09538
   A115       2.09874   0.00003  -0.00035   0.00128   0.00093   2.09967
   A116       2.08813   0.00008   0.00039  -0.00038   0.00001   2.08814
   A117       2.09538  -0.00004  -0.00024   0.00042   0.00018   2.09555
   A118       2.09303  -0.00001   0.00046  -0.00176  -0.00130   2.09173
   A119       2.09478   0.00005  -0.00022   0.00134   0.00112   2.09590
   A120       2.09850   0.00001   0.00005  -0.00033  -0.00027   2.09822
   A121       2.09085   0.00000  -0.00006   0.00076   0.00070   2.09155
   A122       2.09384   0.00000   0.00000  -0.00043  -0.00043   2.09341
   A123       2.09075   0.00002   0.00006   0.00008   0.00014   2.09089
   A124       2.09638  -0.00001  -0.00012  -0.00034  -0.00046   2.09592
   A125       2.09606  -0.00001   0.00006   0.00026   0.00032   2.09638
   A126       2.09854   0.00002   0.00003   0.00004   0.00007   2.09861
   A127       2.09296  -0.00002   0.00004   0.00007   0.00010   2.09306
   A128       2.09168   0.00000  -0.00007  -0.00010  -0.00017   2.09151
   A129       2.09508  -0.00007  -0.00029   0.00017  -0.00012   2.09496
   A130       2.09675   0.00009   0.00058  -0.00069  -0.00011   2.09664
   A131       2.09136  -0.00002  -0.00029   0.00052   0.00023   2.09159
   A132       2.14167  -0.00060  -0.00473   0.01243   0.00843   2.15010
   A133       2.05077   0.00023   0.00071  -0.00621  -0.00477   2.04600
   A134       2.08997   0.00038   0.00093  -0.00502  -0.00336   2.08660
   A135       2.26357  -0.00001  -0.00164   0.00635   0.00478   2.26835
   A136       1.88191  -0.00062  -0.00066  -0.00372  -0.00430   1.87761
   A137       2.13770   0.00063   0.00181  -0.00265  -0.00076   2.13694
   A138       2.01858   0.00019   0.00000   0.00432   0.00432   2.02290
   A139       1.91218  -0.00084  -0.00074  -0.00274  -0.00348   1.90870
   A140       1.76687   0.00022   0.00080   0.00074   0.00154   1.76841
   A141       1.90311   0.00038   0.00095   0.00229   0.00325   1.90636
   A142       1.96003   0.00022   0.00107  -0.00161  -0.00054   1.95949
   A143       1.97690   0.00018  -0.00145   0.00305   0.00160   1.97850
   A144       1.93254  -0.00017  -0.00037  -0.00194  -0.00231   1.93023
   A145       2.25714  -0.00009   0.00152  -0.00223  -0.00071   2.25644
   A146       2.11547   0.00006  -0.00211   0.00303   0.00093   2.11640
   A147       1.91057   0.00003   0.00058  -0.00080  -0.00022   1.91035
   A148       2.01421  -0.00004  -0.00016   0.00078   0.00063   2.01484
   A149       2.20837   0.00000   0.00043  -0.00044   0.00000   2.20837
   A150       2.06059   0.00004  -0.00027  -0.00035  -0.00061   2.05998
   A151       1.95644  -0.00006  -0.00024   0.00010  -0.00014   1.95630
   A152       1.96803   0.00009   0.00062  -0.00064  -0.00001   1.96802
   A153       2.19571  -0.00006   0.00036  -0.00028   0.00008   2.19580
   A154       2.11944  -0.00003  -0.00099   0.00091  -0.00008   2.11936
   A155       1.57550  -0.00003  -0.00084   0.00059  -0.00026   1.57525
   A156       1.97282  -0.00054  -0.00185   0.00534   0.00348   1.97630
   A157       1.91574  -0.00024  -0.00232   0.00173  -0.00058   1.91516
   A158       1.85203   0.00036   0.00165  -0.00301  -0.00136   1.85067
   A159       1.95072   0.00024   0.00156  -0.00479  -0.00322   1.94750
   A160       1.88678   0.00025  -0.00018  -0.00091  -0.00108   1.88570
   A161       1.88059  -0.00002   0.00133   0.00155   0.00288   1.88346
   A162       1.97802  -0.00065  -0.00193  -0.00140  -0.00334   1.97468
   A163       1.96408  -0.00033   0.00032  -0.00128  -0.00094   1.96314
   A164       1.94772   0.00024  -0.00146  -0.00193  -0.00338   1.94435
   A165       1.86178   0.00031   0.00298  -0.00159   0.00139   1.86317
   A166       1.84448   0.00035  -0.00016   0.00206   0.00190   1.84638
   A167       1.85908   0.00016   0.00043   0.00470   0.00517   1.86425
   A168       1.93196   0.00000   0.00052  -0.00081  -0.00030   1.93166
   A169       1.96786  -0.00025  -0.00053  -0.00212  -0.00265   1.96521
   A170       1.95603   0.00010  -0.00018   0.00138   0.00121   1.95724
   A171       1.85397   0.00025   0.00095   0.00157   0.00252   1.85649
   A172       1.86398  -0.00006  -0.00043  -0.00063  -0.00107   1.86291
   A173       1.88413  -0.00003  -0.00029   0.00072   0.00043   1.88456
   A174       1.91585   0.00000   0.00025  -0.00017   0.00009   1.91594
   A175       2.24421  -0.00023  -0.00132   0.00249   0.00120   2.24541
   A176       2.12310   0.00023   0.00104  -0.00235  -0.00129   2.12181
   A177       1.58060  -0.00012  -0.00057  -0.00002  -0.00060   1.58000
    D1        1.14898   0.00000  -0.01120   0.00523  -0.00598   1.14300
    D2       -2.98492  -0.00010  -0.01353   0.00812  -0.00541  -2.99032
    D3       -0.92958  -0.00003  -0.01167   0.00594  -0.00573  -0.93531
    D4       -3.04766  -0.00003  -0.01133   0.00427  -0.00707  -3.05473
    D5       -0.89838  -0.00013  -0.01366   0.00715  -0.00650  -0.90487
    D6        1.15696  -0.00007  -0.01179   0.00497  -0.00682   1.15014
    D7       -0.93947  -0.00001  -0.01034   0.00385  -0.00650  -0.94597
    D8        1.20982  -0.00011  -0.01266   0.00673  -0.00593   1.20389
    D9       -3.01803  -0.00005  -0.01080   0.00455  -0.00625  -3.02428
   D10        1.04969   0.00000  -0.00202  -0.02186  -0.02389   1.02580
   D11       -3.12953  -0.00002  -0.00283  -0.02037  -0.02321   3.13045
   D12       -1.04170  -0.00004  -0.00284  -0.02212  -0.02497  -1.06667
   D13       -1.10502   0.00000  -0.00266  -0.01953  -0.02218  -1.12720
   D14        0.99894  -0.00001  -0.00347  -0.01804  -0.02150   0.97744
   D15        3.08677  -0.00004  -0.00348  -0.01979  -0.02326   3.06351
   D16        3.12957  -0.00003  -0.00233  -0.02139  -0.02372   3.10585
   D17       -1.04966  -0.00005  -0.00314  -0.01990  -0.02303  -1.07269
   D18        1.03817  -0.00007  -0.00315  -0.02165  -0.02480   1.01337
   D19        2.16658   0.00002   0.04500  -0.08510  -0.04012   2.12647
   D20       -0.97921  -0.00007   0.03977  -0.07730  -0.03755  -1.01677
   D21       -1.95037  -0.00001   0.04381  -0.08517  -0.04134  -1.99171
   D22        1.18702  -0.00010   0.03858  -0.07737  -0.03878   1.14824
   D23        0.10410   0.00003   0.04372  -0.08376  -0.04003   0.06407
   D24       -3.04169  -0.00006   0.03850  -0.07596  -0.03747  -3.07916
   D25        3.13698  -0.00005  -0.00440   0.00830   0.00389   3.14087
   D26       -0.00073   0.00004   0.00040   0.00112   0.00153   0.00079
   D27       -3.13902   0.00005   0.00381  -0.00709  -0.00331   3.14086
   D28       -0.00107  -0.00003  -0.00075  -0.00032  -0.00108  -0.00215
   D29        3.13507  -0.00006  -0.00410   0.00106  -0.00302   3.13206
   D30        0.00289  -0.00003   0.00030  -0.00164  -0.00135   0.00154
   D31        2.18274   0.00008   0.00987  -0.03374  -0.02387   2.15887
   D32       -1.93933  -0.00012   0.00970  -0.03125  -0.02155  -1.96088
   D33        0.07217   0.00010   0.01050  -0.03121  -0.02072   0.05145
   D34       -0.96967   0.00005   0.00487  -0.03064  -0.02577  -0.99544
   D35        1.19144  -0.00015   0.00470  -0.02815  -0.02345   1.16799
   D36       -3.08024   0.00007   0.00550  -0.02811  -0.02262  -3.10286
   D37       -0.00361   0.00000  -0.00086   0.00134   0.00049  -0.00312
   D38       -3.13880  -0.00003  -0.00482   0.00621   0.00136  -3.13744
   D39       -3.13451   0.00003   0.00405  -0.00172   0.00235  -3.13215
   D40        0.01349   0.00001   0.00009   0.00315   0.00323   0.01672
   D41       -1.26666  -0.00004   0.01613  -0.01463   0.00147  -1.26519
   D42        1.32425  -0.00036  -0.00847   0.01846   0.01001   1.33426
   D43        2.85222   0.00032   0.01746  -0.01726   0.00019   2.85241
   D44       -0.84005  -0.00001  -0.00713   0.01583   0.00872  -0.83133
   D45        0.86265   0.00015   0.01668  -0.01935  -0.00270   0.85995
   D46       -2.82962  -0.00018  -0.00792   0.01374   0.00583  -2.82379
   D47       -1.14664  -0.00015   0.01342  -0.02738  -0.01412  -1.16076
   D48        3.07168  -0.00013   0.01307  -0.02809  -0.01519   3.05649
   D49        0.96601  -0.00018   0.01430  -0.02999  -0.01587   0.95014
   D50        2.50994   0.00012   0.03452  -0.05793  -0.02322   2.48671
   D51        0.44507   0.00015   0.03418  -0.05864  -0.02430   0.42078
   D52       -1.66060   0.00009   0.03541  -0.06054  -0.02497  -1.68557
   D53       -2.88650   0.00017   0.00223  -0.02841  -0.02623  -2.91273
   D54        0.28570  -0.00026  -0.00334  -0.02591  -0.02929   0.25641
   D55       -0.30138  -0.00023  -0.02250   0.00294  -0.01953  -0.32091
   D56        2.87082  -0.00066  -0.02807   0.00544  -0.02259   2.84823
   D57        2.78132   0.00024   0.00523  -0.00205   0.00292   2.78424
   D58        0.28403   0.00052   0.02681  -0.01195   0.01513   0.29916
   D59       -0.32972  -0.00021  -0.00037   0.00042  -0.00021  -0.32993
   D60       -2.82701   0.00007   0.02122  -0.00948   0.01199  -2.81501
   D61       -1.76076  -0.00044   0.01617  -0.02154  -0.00532  -1.76608
   D62        2.40619   0.00070   0.01331  -0.01893  -0.00559   2.40059
   D63        0.33852   0.00027   0.01413  -0.01720  -0.00301   0.33551
   D64        0.77370  -0.00079  -0.00561  -0.01270  -0.01834   0.75536
   D65       -1.34254   0.00035  -0.00847  -0.01009  -0.01862  -1.36115
   D66        2.87298  -0.00008  -0.00764  -0.00835  -0.01604   2.85695
   D67       -0.55510  -0.00014   0.00407  -0.02594  -0.02186  -0.57696
   D68        2.56721   0.00033  -0.00246  -0.02943  -0.03189   2.53532
   D69        1.54030   0.00010   0.00431  -0.02695  -0.02266   1.51765
   D70       -1.62057   0.00057  -0.00223  -0.03044  -0.03268  -1.65325
   D71       -2.62915  -0.00022   0.00613  -0.02834  -0.02220  -2.65135
   D72        0.49317   0.00025  -0.00041  -0.03183  -0.03223   0.46094
   D73        1.21145   0.00022  -0.00175   0.01931   0.01758   1.22903
   D74       -2.88102  -0.00005  -0.00285   0.01832   0.01548  -2.86554
   D75       -0.85352   0.00000  -0.00154   0.01937   0.01783  -0.83569
   D76       -0.87730   0.00042  -0.00287   0.02242   0.01954  -0.85776
   D77        1.31342   0.00015  -0.00397   0.02143   0.01744   1.33086
   D78       -2.94227   0.00019  -0.00266   0.02247   0.01979  -2.92248
   D79       -3.00951   0.00038  -0.00366   0.01986   0.01621  -2.99329
   D80       -0.81879   0.00011  -0.00476   0.01887   0.01411  -0.80468
   D81        1.20870   0.00015  -0.00345   0.01992   0.01647   1.22517
   D82        3.07756  -0.00090   0.00763  -0.02299  -0.01535   3.06221
   D83        0.14365  -0.00026   0.00729  -0.00067   0.00660   0.15024
   D84       -0.08322  -0.00043   0.00110  -0.02649  -0.02537  -0.10859
   D85       -3.01713   0.00020   0.00076  -0.00417  -0.00342  -3.02055
   D86        2.41162   0.00032  -0.03441   0.07753   0.04313   2.45475
   D87       -1.71074   0.00070  -0.03542   0.08042   0.04501  -1.66573
   D88        0.36371   0.00034  -0.03263   0.07845   0.04582   0.40954
   D89       -0.92788  -0.00024  -0.03377   0.05601   0.02224  -0.90565
   D90        1.23295   0.00014  -0.03478   0.05890   0.02411   1.25706
   D91       -2.97579  -0.00021  -0.03199   0.05692   0.02493  -2.95086
   D92        1.06696  -0.00005   0.01434  -0.01011   0.00423   1.07119
   D93       -1.08002  -0.00004   0.01491  -0.01029   0.00462  -1.07540
   D94       -3.05681  -0.00005   0.01443  -0.01091   0.00351  -3.05330
   D95       -1.07959   0.00016   0.01317  -0.00943   0.00375  -1.07584
   D96        3.05662   0.00017   0.01374  -0.00961   0.00414   3.06075
   D97        1.07982   0.00016   0.01326  -0.01023   0.00303   1.08285
   D98        3.11075  -0.00004   0.01237  -0.01121   0.00116   3.11191
   D99        0.96377  -0.00003   0.01294  -0.01139   0.00155   0.96532
   D100      -1.01303  -0.00005   0.01246  -0.01201   0.00044  -1.01258
   D101       1.16644  -0.00050   0.00858  -0.01877  -0.01019   1.15624
   D102      -0.94656  -0.00018   0.00927  -0.00978  -0.00051  -0.94707
   D103      -2.96502  -0.00020   0.01085  -0.01306  -0.00221  -2.96723
   D104      -2.97871  -0.00030   0.00705  -0.01736  -0.01031  -2.98902
   D105       1.19148   0.00002   0.00774  -0.00837  -0.00063   1.19084
   D106      -0.82698   0.00001   0.00931  -0.01165  -0.00233  -0.82931
   D107      -0.89476  -0.00013   0.00689  -0.01604  -0.00914  -0.90391
   D108      -3.00776   0.00019   0.00758  -0.00705   0.00053  -3.00723
   D109       1.25697   0.00018   0.00916  -0.01033  -0.00116   1.25581
   D110      -1.58762   0.00000   0.00800  -0.02331  -0.01530  -1.60292
   D111       1.56109   0.00000   0.00807  -0.02318  -0.01511   1.54598
   D112       0.54716  -0.00008   0.00706  -0.02333  -0.01628   0.53088
   D113      -2.58731  -0.00008   0.00712  -0.02320  -0.01608  -2.60339
   D114       2.55046   0.00001   0.00824  -0.02373  -0.01549   2.53497
   D115      -0.58401   0.00001   0.00831  -0.02360  -0.01529  -0.59931
   D116       3.13876   0.00002   0.00072   0.00112   0.00185   3.14061
   D117      -0.01489   0.00002   0.00052   0.00232   0.00284  -0.01206
   D118      -0.00988   0.00001   0.00066   0.00100   0.00166  -0.00823
   D119       3.11965   0.00002   0.00045   0.00219   0.00265   3.12230
   D120      -3.13941  -0.00001  -0.00052  -0.00086  -0.00137  -3.14078
   D121       0.00764  -0.00001  -0.00037  -0.00103  -0.00140   0.00624
   D122       0.00926  -0.00001  -0.00045  -0.00073  -0.00118   0.00808
   D123      -3.12687  -0.00001  -0.00031  -0.00090  -0.00120  -3.12808
   D124       0.00300  -0.00001  -0.00042  -0.00052  -0.00094   0.00206
   D125       3.14122  -0.00001  -0.00054  -0.00027  -0.00081   3.14041
   D126      -3.12658  -0.00001  -0.00021  -0.00172  -0.00193  -3.12851
   D127       0.01165  -0.00001  -0.00034  -0.00146  -0.00180   0.00984
   D128       0.00457   0.00000  -0.00003  -0.00024  -0.00028   0.00429
   D129      -3.14128   0.00000  -0.00005   0.00006   0.00001  -3.14127
   D130      -3.13365   0.00000   0.00009  -0.00050  -0.00040  -3.13405
   D131       0.00369   0.00000   0.00008  -0.00019  -0.00011   0.00357
   D132      -0.00519   0.00001   0.00024   0.00052   0.00076  -0.00443
   D133       3.13418   0.00001   0.00030   0.00077   0.00107   3.13524
   D134       3.14066   0.00001   0.00025   0.00022   0.00047   3.14113
   D135      -0.00315   0.00001   0.00031   0.00046   0.00078  -0.00238
   D136      -0.00175   0.00000   0.00001  -0.00004  -0.00003  -0.00178
   D137       3.13441   0.00000  -0.00014   0.00013   0.00000   3.13440
   D138      -3.14113   0.00000  -0.00005  -0.00028  -0.00033  -3.14146
   D139      -0.00497  -0.00001  -0.00020  -0.00011  -0.00031  -0.00527
   D140      -1.72110   0.00009   0.02285  -0.03030  -0.00745  -1.72855
   D141       2.57524   0.00000   0.02660  -0.04196  -0.01535   2.55990
   D142       0.36388   0.00000   0.02146  -0.03534  -0.01389   0.34999
   D143       0.40924  -0.00003   0.02183  -0.03777  -0.01593   0.39331
   D144      -1.57760  -0.00012   0.02558  -0.04942  -0.02383  -1.60143
   D145       2.49422  -0.00012   0.02044  -0.04281  -0.02237   2.47185
   D146       2.42532   0.00012   0.02285  -0.03880  -0.01596   2.40937
   D147       0.43848   0.00003   0.02660  -0.05046  -0.02385   0.41463
   D148      -1.77288   0.00003   0.02146  -0.04384  -0.02240  -1.79528
   D149       2.31989  -0.00011  -0.01139   0.02857   0.01720   2.33708
   D150      -1.88109   0.00055  -0.00909   0.02864   0.01955  -1.86154
   D151       0.20842  -0.00007  -0.01422   0.03253   0.01828   0.22670
   D152      -1.03253  -0.00022  -0.01713  -0.01224  -0.02938  -1.06191
   D153       3.08697  -0.00012  -0.01404  -0.02010  -0.03412   3.05285
   D154       1.08379   0.00003  -0.01110  -0.02136  -0.03247   1.05132
   D155      -3.02298  -0.00042  -0.01493  -0.01600  -0.03095  -3.05393
   D156       1.09651  -0.00032  -0.01183  -0.02386  -0.03569   1.06082
   D157      -0.90667  -0.00017  -0.00889  -0.02512  -0.03404  -0.94071
   D158       1.18712  -0.00001  -0.00912  -0.01893  -0.02804   1.15908
   D159      -0.97658   0.00009  -0.00602  -0.02679  -0.03278  -1.00936
   D160      -2.97975   0.00024  -0.00309  -0.02805  -0.03113  -3.01089
   D161       2.97858   0.00052   0.00439   0.00793   0.01232   2.99089
   D162      -1.15198   0.00046   0.00470   0.00623   0.01092  -1.14107
   D163       0.84220   0.00048   0.00498   0.00624   0.01120   0.85341
   D164      -1.17013  -0.00029  -0.00185   0.01135   0.00951  -1.16062
   D165       0.98250  -0.00035  -0.00155   0.00965   0.00811   0.99061
   D166       2.97669  -0.00033  -0.00127   0.00966   0.00840   2.98508
   D167       0.88292  -0.00001  -0.00117   0.01458   0.01341   0.89633
   D168       3.03555  -0.00007  -0.00086   0.01288   0.01201   3.04756
   D169      -1.25345  -0.00005  -0.00059   0.01289   0.01230  -1.24115
   D170       1.29107   0.00001  -0.01191   0.05432   0.04239   1.33346
   D171      -1.89306   0.00011  -0.03558   0.08702   0.05141  -1.84165
   D172      -0.87259   0.00011  -0.01142   0.05615   0.04475  -0.82784
   D173       2.22647   0.00021  -0.03510   0.08886   0.05378   2.28024
   D174      -2.96692   0.00001  -0.01367   0.05585   0.04219  -2.92472
   D175       0.13214   0.00011  -0.03734   0.08856   0.05122   0.18335
   D176       1.77469  -0.00007  -0.00242   0.00399   0.00156   1.77625
   D177      -1.36674  -0.00007  -0.00194   0.00305   0.00111  -1.36563
   D178      -0.36767   0.00004  -0.00258   0.00519   0.00262  -0.36505
   D179       2.77409   0.00004  -0.00210   0.00426   0.00216   2.77625
   D180      -2.37895   0.00003  -0.00165   0.00355   0.00190  -2.37705
   D181       0.76280   0.00003  -0.00117   0.00261   0.00145   0.76425
   D182       3.14050   0.00000   0.00052  -0.00121  -0.00070   3.13980
   D183      -0.00036   0.00000   0.00101  -0.00129  -0.00028  -0.00064
   D184      -0.00125   0.00000   0.00004  -0.00029  -0.00025  -0.00150
   D185       3.14107   0.00000   0.00053  -0.00036   0.00017   3.14124
   D186      -3.14088   0.00000  -0.00054   0.00119   0.00065  -3.14023
   D187      -0.00145   0.00000  -0.00044   0.00109   0.00065  -0.00080
   D188       0.00087   0.00000  -0.00006   0.00026   0.00020   0.00107
   D189       3.14031   0.00000   0.00004   0.00016   0.00020   3.14050
   D190       0.00104   0.00000   0.00003   0.00010   0.00013   0.00117
   D191      -3.14013   0.00000   0.00001   0.00008   0.00010  -3.14004
   D192      -3.14129   0.00000  -0.00047   0.00018  -0.00029  -3.14158
   D193       0.00072   0.00000  -0.00048   0.00016  -0.00032   0.00040
   D194      -0.00043   0.00000  -0.00007   0.00011   0.00004  -0.00039
   D195      -3.14087   0.00000  -0.00013  -0.00002  -0.00015  -3.14101
   D196       3.14074   0.00000  -0.00005   0.00013   0.00007   3.14081
   D197       0.00030   0.00000  -0.00012   0.00000  -0.00011   0.00019
   D198       0.00005   0.00000   0.00004  -0.00013  -0.00009  -0.00004
   D199      -3.14053   0.00000  -0.00005  -0.00021  -0.00026  -3.14080
   D200       3.14048   0.00000   0.00011  -0.00001   0.00010   3.14058
   D201      -0.00010   0.00000   0.00002  -0.00009  -0.00007  -0.00017
   D202      -0.00027   0.00000   0.00002  -0.00005  -0.00003  -0.00030
   D203      -3.13971   0.00000  -0.00008   0.00005  -0.00003  -3.13974
   D204       3.14031   0.00000   0.00011   0.00003   0.00014   3.14045
   D205       0.00087   0.00000   0.00002   0.00013   0.00014   0.00101
   D206       0.00842   0.00034  -0.00739   0.01226   0.00498   0.01340
   D207      -3.13068  -0.00030  -0.04181   0.01903  -0.02290   3.12961
   D208      -3.08971   0.00025   0.01680  -0.02114  -0.00422  -3.09393
   D209       0.05438  -0.00040  -0.01762  -0.01437  -0.03210   0.02228
   D210       2.93604   0.00013   0.02330  -0.01242   0.01063   2.94667
   D211      -0.20328  -0.00045  -0.00868  -0.00627  -0.01470  -0.21798
   D212      -1.51442  -0.00008  -0.00278  -0.02694  -0.02973  -1.54415
   D213       2.69599  -0.00010  -0.00410  -0.02433  -0.02844   2.66756
   D214       0.65815  -0.00017  -0.00446  -0.02342  -0.02787   0.63028
   D215      -0.46920  -0.00001   0.02688  -0.08320  -0.05632  -0.52551
   D216       2.67017  -0.00009   0.02470  -0.08049  -0.05579   2.61438
   D217       1.47974  -0.00010   0.02800  -0.08477  -0.05677   1.42297
   D218      -1.66408  -0.00019   0.02581  -0.08206  -0.05625  -1.72033
   D219      -2.59817   0.00000   0.02717  -0.08624  -0.05906  -2.65723
   D220       0.54120  -0.00008   0.02499  -0.08353  -0.05854   0.48266
   D221       3.13992  -0.00009  -0.00358   0.00559   0.00202  -3.14124
   D222      -0.00803   0.00009   0.00206   0.00276   0.00482  -0.00320
   D223       0.00035  -0.00001  -0.00158   0.00312   0.00154   0.00189
   D224       3.13559   0.00017   0.00405   0.00030   0.00435   3.13994
   D225       3.13993   0.00000   0.00114  -0.00270  -0.00155   3.13838
   D226      -0.00349  -0.00007  -0.00064  -0.00048  -0.00112  -0.00461
   D227       0.00444   0.00013   0.00385  -0.00506  -0.00121   0.00324
   D228      -3.13136  -0.00004  -0.00129  -0.00248  -0.00376  -3.13513
   D229      -0.00705  -0.00018  -0.00422   0.00449   0.00027  -0.00678
   D230       3.13200   0.00011   0.00146  -0.00322  -0.00176   3.13025
   D231       0.00622   0.00015   0.00288  -0.00238   0.00050   0.00672
   D232      -3.13296  -0.00012  -0.00251   0.00495   0.00243  -3.13053
   D233      -0.02595  -0.00043   0.01611  -0.13599  -0.11988  -0.14583
   D234       2.08846  -0.00075   0.01885  -0.14010  -0.12124   1.96722
   D235      -2.10577  -0.00060   0.01870  -0.13630  -0.11762  -2.22338
   D236      -2.19770   0.00012   0.01939  -0.13866  -0.11926  -2.31696
   D237      -0.08330  -0.00020   0.02213  -0.14276  -0.12062  -0.20391
   D238       2.00566  -0.00005   0.02198  -0.13897  -0.11700   1.88867
   D239       2.01868  -0.00015   0.01694  -0.13716  -0.12022   1.89846
   D240      -2.15010  -0.00046   0.01969  -0.14127  -0.12158  -2.27168
   D241      -0.06114  -0.00031   0.01953  -0.13748  -0.11796  -0.17910
   D242       3.04204   0.00027  -0.00369  -0.01521  -0.01891   3.02313
   D243      -1.16710   0.00042  -0.00248  -0.01518  -0.01766  -1.18477
   D244       0.96313   0.00028  -0.00338  -0.01478  -0.01815   0.94497
   D245      -1.03784  -0.00044  -0.00670  -0.01047  -0.01717  -1.05501
   D246       1.03620  -0.00029  -0.00549  -0.01044  -0.01593   1.02027
   D247      -3.11675  -0.00043  -0.00639  -0.01004  -0.01642  -3.13317
   D248       1.03265  -0.00001  -0.00517  -0.01340  -0.01857   1.01409
   D249       3.10669   0.00014  -0.00395  -0.01337  -0.01733   3.08937
   D250      -1.04626  -0.00001  -0.00485  -0.01296  -0.01782  -1.06408
   D251       0.00259   0.00002   0.00088  -0.00058   0.00030   0.00290
   D252       3.13831   0.00004   0.00457  -0.00503  -0.00049   3.13782
         Item               Value     Threshold  Converged?
 Maximum Force            0.001966     0.000450     NO 
 RMS     Force            0.000297     0.000300     YES
 Maximum Displacement     0.436088     0.001800     NO 
 RMS     Displacement     0.103041     0.001200     NO 
 Predicted change in Energy=-4.390415D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -8.930825   -2.635175   -0.092394
      2          6           0       -8.887329   -1.206579   -0.642807
      3          6           0       -9.948547   -0.314721    0.009225
      4          6           0       -7.525692   -0.612489   -0.456074
      5          7           0       -6.739575   -0.147057   -1.397339
      6          6           0       -5.513021    0.348516   -0.881080
      7          6           0       -4.529501    0.896077   -1.881521
      8          7           0       -4.113932    2.293580   -1.618997
      9          6           0       -5.160041    3.310803   -1.908690
     10          6           0       -3.185217    2.631220   -0.602478
     11          8           0       -3.033061    3.793953   -0.241950
     12          7           0       -2.405289    1.583375   -0.032163
     13          6           0       -1.152180    1.979162    0.658629
     14          6           0        0.033853    1.702870   -0.287633
     15          8           0        0.024726    0.764325   -1.077487
     16          7           0        1.099273    2.588574   -0.229090
     17          6           0        2.330294    2.349418   -1.029083
     18          6           0        2.850213    3.691040   -1.593069
     19          6           0        3.230872    4.696558   -0.542062
     20          6           0        2.285319    5.628263   -0.085667
     21          6           0        2.635770    6.563029    0.891687
     22          6           0        3.930562    6.578137    1.419467
     23          6           0        4.877004    5.656298    0.961470
     24          6           0        4.531791    4.719062   -0.015802
     25          6           0        3.396205    1.627414   -0.178009
     26          6           0        2.964821    0.206301    0.203568
     27          8           0        2.460871    0.315685    1.552118
     28          6           0        4.161999   -0.787337    0.289903
     29          6           0        4.889529   -0.914858   -1.058779
     30          6           0        6.161894   -1.703756   -0.934873
     31          6           0        6.200617   -3.044159   -1.347440
     32          6           0        7.384401   -3.777406   -1.234292
     33          6           0        8.534760   -3.180330   -0.708686
     34          6           0        8.497902   -1.844645   -0.296044
     35          6           0        7.317164   -1.106181   -0.407218
     36          7           0        3.655835   -2.097840    0.784151
     37          6           0        2.955080   -2.984537   -0.007982
     38          8           0        2.638546   -2.903652   -1.177688
     39          8           0        2.654880   -4.107424    0.776590
     40          6           0        1.703282   -5.048700    0.202521
     41          6           0        0.329347   -4.646316    0.575894
     42          6           0       -0.108263   -3.994339    1.696885
     43          7           0       -1.497009   -3.754887    1.755261
     44          6           0       -2.121788   -4.217353    0.699590
     45         16           0       -1.025824   -4.983404   -0.465468
     46          6           0       -1.018319    1.165089    1.983553
     47          6           0       -0.715384   -0.319337    1.753017
     48          6           0        0.028553    1.819510    2.888696
     49          6           0       -5.370720    0.253553    0.472891
     50         16           0       -6.791673   -0.466801    1.163910
     51          1           0       -9.872739   -3.127420   -0.362320
     52          1           0       -8.115162   -3.247935   -0.495515
     53          1           0       -8.854946   -2.662955    1.001328
     54          1           0       -9.093944   -1.246664   -1.750751
     55          1           0       -9.833771   -0.255896    1.098095
     56          1           0       -9.904842    0.710154   -0.381113
     57          1           0      -10.956283   -0.698353   -0.189210
     58          1           0       -3.629001    0.236604   -1.933663
     59          1           0       -4.981157    0.862255   -2.907749
     60          1           0       -5.353496    3.328715   -2.993877
     61          1           0       -4.806473    4.316733   -1.606087
     62          1           0       -6.105605    3.105588   -1.380206
     63          1           0       -2.331716    0.685778   -0.530615
     64          1           0       -1.217031    3.077650    0.912158
     65          1           0        1.157102    3.304580    0.494001
     66          1           0        2.047586    1.689944   -1.901807
     67          1           0        2.071058    4.119307   -2.261985
     68          1           0        3.713077    3.488396   -2.261304
     69          1           0        1.277345    5.631973   -0.500010
     70          1           0        1.897113    7.283900    1.240410
     71          1           0        4.201229    7.306694    2.180661
     72          1           0        5.887807    5.669687    1.366509
     73          1           0        5.277208    4.010762   -0.370089
     74          1           0        3.586384    2.196897    0.759338
     75          1           0        4.361232    1.617335   -0.722524
     76          1           0        2.162299   -0.187370   -0.465046
     77          1           0        1.598925   -0.168711    1.638503
     78          1           0        4.873419   -0.411414    1.076328
     79          1           0        4.207562   -1.380127   -1.812647
     80          1           0        5.103300    0.098342   -1.461539
     81          1           0        5.304764   -3.511972   -1.757648
     82          1           0        7.410647   -4.816993   -1.556974
     83          1           0        9.455315   -3.752993   -0.622072
     84          1           0        9.392385   -1.377615    0.112709
     85          1           0        7.296329   -0.067675   -0.086000
     86          1           0        3.871550   -2.347340    1.748304
     87          1           0        2.012005   -5.996852    0.692125
     88          1           0        1.862578   -5.106063   -0.896302
     89          1           0        0.503668   -3.655268    2.528171
     90          1           0       -3.188596   -4.162993    0.520118
     91          1           0       -2.014554    1.241233    2.496454
     92          1           0       -0.782540   -0.615340    0.694778
     93          1           0        0.292111   -0.602482    2.098761
     94          1           0       -1.427436   -0.961729    2.288865
     95          1           0        0.049842    1.332035    3.872081
     96          1           0        1.047923    1.741144    2.481567
     97          1           0       -0.183869    2.878928    3.066431
     98          1           0       -4.537883    0.562874    1.086979
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0635523      0.0302874      0.0221294
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3562.9153100510 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.245662867062     A.U. after   18 cycles
             Convg  =    0.7115D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000045847   -0.000074687   -0.000095613
      2        6          -0.000209728   -0.000406218   -0.000181377
      3        6          -0.000017060   -0.000119976   -0.000181509
      4        6           0.000030167    0.000103437    0.000298923
      5        7           0.000201681    0.000098677    0.000129380
      6        6          -0.000652001   -0.000057815   -0.000957564
      7        6           0.000611113   -0.000072258    0.001100146
      8        7          -0.000340014    0.000710149   -0.000092337
      9        6           0.000474166   -0.000427279    0.000413594
     10        6          -0.001197958   -0.001207655   -0.000007530
     11        8          -0.000552732    0.001000483    0.000886868
     12        7           0.001240923    0.000056061   -0.000066537
     13        6          -0.000416125    0.000689890    0.000669810
     14        6           0.000418120    0.000423456    0.000438910
     15        8           0.000079047   -0.000270405    0.000205762
     16        7           0.000947278   -0.000569936    0.000009685
     17        6          -0.000750894    0.000132856    0.000184324
     18        6          -0.000250148   -0.000200903    0.000013909
     19        6          -0.000139965    0.000031984    0.000075096
     20        6           0.000317437    0.000051326   -0.000053023
     21        6           0.000064084   -0.000011090   -0.000008164
     22        6           0.000044057   -0.000112433    0.000012206
     23        6          -0.000006068   -0.000056564    0.000013347
     24        6          -0.000223557    0.000005282    0.000001453
     25        6           0.000229880   -0.000143309   -0.000410647
     26        6           0.001152689    0.000162560   -0.000091715
     27        8          -0.002435607   -0.001155082   -0.001388801
     28        6           0.000225226   -0.000578686    0.001459791
     29        6           0.000027018    0.001053025   -0.000069607
     30        6          -0.000359727    0.000053245    0.000039905
     31        6           0.000113430    0.000322052   -0.000038106
     32        6          -0.000023700   -0.000086965   -0.000006415
     33        6          -0.000062212    0.000076361    0.000048562
     34        6          -0.000109037   -0.000104068    0.000030904
     35        6           0.000330694   -0.000080975   -0.000155256
     36        7          -0.000176070    0.000764811   -0.000075343
     37        6          -0.001394003    0.000292607   -0.001557562
     38        8           0.000278654   -0.001251412    0.000818628
     39        8           0.000664621   -0.000335734    0.000233269
     40        6           0.000017730    0.000109831   -0.000632466
     41        6          -0.000157469    0.000298322   -0.000263690
     42        6          -0.000071012   -0.000433789    0.000528356
     43        7           0.000310423   -0.000428417   -0.000395069
     44        6          -0.000296709    0.000604529    0.000370540
     45       16           0.000197163   -0.000254922   -0.000189659
     46        6           0.000679214    0.000177751   -0.000981904
     47        6           0.001234341    0.001340074   -0.000765106
     48        6           0.000642158    0.000310205    0.000379149
     49        6           0.000105660   -0.000283845    0.000446352
     50       16          -0.000006075    0.000111161   -0.000268341
     51        1           0.000093318    0.000023819    0.000085610
     52        1           0.000005534    0.000080923   -0.000048500
     53        1          -0.000100255    0.000009387   -0.000050689
     54        1          -0.000131454    0.000053867    0.000081996
     55        1          -0.000055940    0.000016562    0.000017249
     56        1          -0.000001399    0.000022763    0.000083481
     57        1           0.000036323    0.000025818   -0.000012946
     58        1           0.000326722   -0.000294709    0.000160581
     59        1          -0.000180579    0.000091797   -0.000369213
     60        1          -0.000230170   -0.000074612    0.000177210
     61        1          -0.000079683    0.000133322    0.000004864
     62        1          -0.000279359   -0.000008343   -0.000048874
     63        1           0.000104219   -0.000795096   -0.000652118
     64        1           0.000027603    0.000015033    0.000096836
     65        1          -0.000310801    0.000464151    0.000176034
     66        1          -0.000010396   -0.000029803    0.000193509
     67        1           0.000145908    0.000092590   -0.000129870
     68        1           0.000107599    0.000044953    0.000064883
     69        1           0.000003759    0.000007295   -0.000011934
     70        1           0.000040872   -0.000035063   -0.000000089
     71        1          -0.000022434   -0.000036771    0.000000852
     72        1          -0.000050072    0.000016695    0.000012684
     73        1           0.000040117    0.000015962   -0.000034022
     74        1          -0.000233324   -0.000335293   -0.000022085
     75        1           0.000471324    0.000075911   -0.000214085
     76        1          -0.000059015    0.000190825   -0.000131354
     77        1           0.000094260    0.000733406    0.000862874
     78        1          -0.000332758    0.000135855    0.000218381
     79        1          -0.000088322   -0.000058749    0.000158316
     80        1          -0.000169877   -0.000126932   -0.000261814
     81        1          -0.000003621   -0.000068628    0.000031756
     82        1           0.000015937    0.000061593    0.000017406
     83        1          -0.000043355   -0.000026135    0.000006714
     84        1          -0.000018784   -0.000010195   -0.000001359
     85        1          -0.000089448   -0.000021044    0.000021963
     86        1           0.000358870   -0.000023224   -0.000085163
     87        1          -0.000300904    0.000057558    0.000241080
     88        1           0.000052318   -0.000211082    0.000262448
     89        1          -0.000046410   -0.000127870   -0.000057251
     90        1           0.000113291   -0.000031342   -0.000200335
     91        1           0.000023323    0.000226375   -0.000363953
     92        1           0.000363293   -0.000469621   -0.000250164
     93        1           0.000522766    0.000570365    0.000490520
     94        1          -0.000485046   -0.000539609    0.000653058
     95        1           0.000054063    0.000040389   -0.000111991
     96        1          -0.000243581   -0.000223509   -0.000633555
     97        1          -0.000095990    0.000024513   -0.000061095
     98        1          -0.000081697    0.000060192   -0.000243370
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002435607 RMS     0.000430074

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.006050550 RMS     0.000767276
 Search for a local minimum.
 Step number  22 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   21   22
 DE= -2.66D-04 DEPred=-4.39D-04 R= 6.07D-01
 SS=  1.41D+00  RLast= 4.76D-01 DXNew= 3.2857D+00 1.4289D+00
 Trust test= 6.07D-01 RLast= 4.76D-01 DXMaxT set to 1.95D+00
     Eigenvalues ---    0.00068   0.00135   0.00245   0.00327   0.00423
     Eigenvalues ---    0.00512   0.00543   0.00632   0.00667   0.00720
     Eigenvalues ---    0.00802   0.00830   0.00922   0.00935   0.00946
     Eigenvalues ---    0.01026   0.01037   0.01107   0.01219   0.01227
     Eigenvalues ---    0.01244   0.01273   0.01380   0.01392   0.01394
     Eigenvalues ---    0.01440   0.01536   0.01580   0.01584   0.01624
     Eigenvalues ---    0.01722   0.01747   0.01829   0.01923   0.01926
     Eigenvalues ---    0.01976   0.02065   0.02079   0.02194   0.02199
     Eigenvalues ---    0.02203   0.02214   0.02220   0.02258   0.02269
     Eigenvalues ---    0.02289   0.02328   0.02362   0.02374   0.02406
     Eigenvalues ---    0.02408   0.02414   0.02449   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02629   0.02700   0.02755
     Eigenvalues ---    0.03290   0.03622   0.04018   0.04071   0.04139
     Eigenvalues ---    0.04199   0.04374   0.04440   0.04488   0.04777
     Eigenvalues ---    0.04853   0.04916   0.04969   0.04995   0.05050
     Eigenvalues ---    0.05127   0.05290   0.05396   0.05437   0.05446
     Eigenvalues ---    0.05531   0.05544   0.05576   0.05697   0.05718
     Eigenvalues ---    0.05797   0.05834   0.05902   0.05941   0.05970
     Eigenvalues ---    0.06218   0.06300   0.06445   0.06624   0.06900
     Eigenvalues ---    0.07122   0.07329   0.07512   0.07848   0.08031
     Eigenvalues ---    0.08578   0.08724   0.09492   0.09835   0.10352
     Eigenvalues ---    0.11962   0.12720   0.12906   0.13117   0.13413
     Eigenvalues ---    0.13904   0.13939   0.14323   0.15573   0.15743
     Eigenvalues ---    0.15883   0.15951   0.15987   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16006
     Eigenvalues ---    0.16010   0.16032   0.16041   0.16046   0.16067
     Eigenvalues ---    0.16113   0.16131   0.16212   0.16427   0.16883
     Eigenvalues ---    0.17111   0.17370   0.17615   0.17967   0.18232
     Eigenvalues ---    0.18460   0.18906   0.19344   0.20220   0.21179
     Eigenvalues ---    0.21612   0.21688   0.21852   0.21905   0.21999
     Eigenvalues ---    0.22000   0.22001   0.22005   0.22157   0.22219
     Eigenvalues ---    0.22795   0.22942   0.23058   0.23446   0.23483
     Eigenvalues ---    0.23663   0.23723   0.24126   0.24333   0.24591
     Eigenvalues ---    0.24856   0.24955   0.24988   0.25001   0.25011
     Eigenvalues ---    0.25040   0.25100   0.25330   0.25533   0.28890
     Eigenvalues ---    0.29336   0.29664   0.29763   0.29876   0.29934
     Eigenvalues ---    0.30154   0.30250   0.30414   0.30611   0.30750
     Eigenvalues ---    0.30973   0.31333   0.31430   0.31435   0.31457
     Eigenvalues ---    0.31544   0.31658   0.31696   0.31732   0.31993
     Eigenvalues ---    0.32118   0.32382   0.32478   0.32539   0.32612
     Eigenvalues ---    0.32661   0.32775   0.32812   0.32892   0.32948
     Eigenvalues ---    0.33013   0.33046   0.33076   0.33153   0.33206
     Eigenvalues ---    0.33327   0.33514   0.33564   0.33578   0.33672
     Eigenvalues ---    0.33709   0.33892   0.33940   0.33987   0.34025
     Eigenvalues ---    0.34152   0.34230   0.34293   0.34338   0.34398
     Eigenvalues ---    0.34483   0.34519   0.34707   0.34768   0.35147
     Eigenvalues ---    0.35280   0.36043   0.36250   0.36313   0.36375
     Eigenvalues ---    0.36554   0.36634   0.36835   0.36950   0.37189
     Eigenvalues ---    0.37568   0.38417   0.39033   0.40264   0.41002
     Eigenvalues ---    0.41210   0.42322   0.42629   0.42696   0.42985
     Eigenvalues ---    0.43322   0.43677   0.44275   0.44312   0.45136
     Eigenvalues ---    0.46257   0.47581   0.48221   0.48369   0.48559
     Eigenvalues ---    0.48614   0.48950   0.49395   0.49970   0.50317
     Eigenvalues ---    0.50922   0.51243   0.51388   0.55311   0.56337
     Eigenvalues ---    0.58181   0.59312   0.62545   0.65190   0.76265
     Eigenvalues ---    0.78219   0.83677   1.064161000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    22   21   20   19   18
 RFO step:  Lambda=-4.42713595D-04.
 DIIS coeffs:      0.37487      0.29178      0.61171     -1.33440      1.05604
 Iteration  1 RMS(Cart)=  0.15977793 RMS(Int)=  0.00137033
 Iteration  2 RMS(Cart)=  0.00551377 RMS(Int)=  0.00008367
 Iteration  3 RMS(Cart)=  0.00000585 RMS(Int)=  0.00008365
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00008365
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89426  -0.00007  -0.00073   0.00024  -0.00049   2.89377
    R2        2.07213   0.00009   0.00049  -0.00004   0.00044   2.07257
    R3        2.07292   0.00002   0.00000   0.00000   0.00000   2.07293
    R4        2.07247  -0.00006   0.00001   0.00002   0.00003   2.07250
    R5        2.89489  -0.00002   0.00118  -0.00086   0.00032   2.89520
    R6        2.82946  -0.00061  -0.00070  -0.00055  -0.00125   2.82821
    R7        2.13115  -0.00001  -0.00005   0.00014   0.00008   2.13124
    R8        2.07205  -0.00001  -0.00008   0.00017   0.00009   2.07214
    R9        2.07409  -0.00008  -0.00005  -0.00006  -0.00010   2.07399
   R10        2.07189   0.00004  -0.00024   0.00025   0.00001   2.07189
   R11        2.47878  -0.00023   0.00030  -0.00094  -0.00064   2.47813
   R12        3.37217  -0.00014  -0.00089   0.00154   0.00065   3.37282
   R13        2.68351  -0.00010  -0.00014   0.00080   0.00066   2.68417
   R14        2.84592  -0.00125  -0.00198   0.00016  -0.00183   2.84409
   R15        2.57898   0.00012   0.00070  -0.00066   0.00004   2.57902
   R16        2.79949  -0.00052   0.00160  -0.00125   0.00035   2.79985
   R17        2.11153  -0.00030   0.00014  -0.00032  -0.00019   2.11134
   R18        2.11976   0.00028   0.00024  -0.00006   0.00018   2.11994
   R19        2.81119  -0.00037   0.00104  -0.00112  -0.00008   2.81112
   R20        2.67903  -0.00059   0.00344  -0.00460  -0.00116   2.67787
   R21        2.08331  -0.00017  -0.00044  -0.00019  -0.00063   2.08268
   R22        2.09451  -0.00013  -0.00042   0.00025  -0.00017   2.09433
   R23        2.08342  -0.00026  -0.00064   0.00063  -0.00002   2.08340
   R24        2.31835  -0.00138  -0.00146   0.00041  -0.00105   2.31730
   R25        2.69346  -0.00250   0.00049   0.00081   0.00130   2.69476
   R26        2.80554  -0.00160   0.00005  -0.00040  -0.00035   2.80519
   R27        1.94518  -0.00085   0.00082   0.00045   0.00127   1.94644
   R28        2.91436   0.00095  -0.00007  -0.00164  -0.00170   2.91266
   R29        2.94946  -0.00211  -0.00281  -0.00208  -0.00489   2.94457
   R30        2.13393  -0.00004   0.00030  -0.00010   0.00019   2.13413
   R31        2.31815  -0.00028  -0.00082   0.00022  -0.00060   2.31755
   R32        2.62054   0.00187   0.00027  -0.00050  -0.00023   2.62030
   R33        2.81093   0.00243   0.00039   0.00042   0.00082   2.81175
   R34        1.92610  -0.00052  -0.00109   0.00043  -0.00066   1.92544
   R35        2.92043   0.00013   0.00128  -0.00017   0.00111   2.92155
   R36        2.91642   0.00089  -0.00060  -0.00116  -0.00176   2.91465
   R37        2.13504  -0.00007  -0.00013  -0.00062  -0.00075   2.13429
   R38        2.84125   0.00013  -0.00007   0.00016   0.00009   2.84133
   R39        2.10256   0.00022   0.00066  -0.00007   0.00059   2.10316
   R40        2.09763  -0.00012  -0.00083   0.00022  -0.00061   2.09702
   R41        2.65265   0.00033   0.00043  -0.00010   0.00033   2.65298
   R42        2.65225   0.00011   0.00011   0.00017   0.00028   2.65253
   R43        2.64009   0.00015  -0.00008   0.00036   0.00028   2.64038
   R44        2.05946   0.00001   0.00029  -0.00007   0.00022   2.05968
   R45        2.64242   0.00016   0.00037  -0.00022   0.00014   2.64256
   R46        2.05874   0.00005   0.00009   0.00005   0.00013   2.05887
   R47        2.64244   0.00014  -0.00010   0.00033   0.00023   2.64267
   R48        2.05579   0.00003  -0.00007   0.00011   0.00004   2.05583
   R49        2.64065   0.00009   0.00013  -0.00006   0.00007   2.64072
   R50        2.05794   0.00003  -0.00003   0.00007   0.00004   2.05798
   R51        2.05525  -0.00004  -0.00023   0.00011  -0.00012   2.05513
   R52        2.89767  -0.00045  -0.00119   0.00085  -0.00034   2.89733
   R53        2.10355   0.00026  -0.00086   0.00089   0.00003   2.10358
   R54        2.09400  -0.00034   0.00122  -0.00125  -0.00002   2.09397
   R55        2.72836  -0.00144  -0.00182   0.00098  -0.00085   2.72751
   R56        2.94458   0.00111   0.00170   0.00188   0.00358   2.94816
   R57        2.10945   0.00017  -0.00116   0.00081  -0.00035   2.10910
   R58        1.87555   0.00090  -0.00553   0.00338  -0.00215   1.87340
   R59        2.90582   0.00081   0.00328  -0.00140   0.00188   2.90770
   R60        2.81430  -0.00140  -0.00054  -0.00047  -0.00101   2.81329
   R61        2.12617   0.00004  -0.00114   0.00079  -0.00035   2.12582
   R62        2.83876   0.00023   0.00005   0.00013   0.00018   2.83894
   R63        2.11267  -0.00011  -0.00164   0.00075  -0.00089   2.11178
   R64        2.09963   0.00028   0.00113  -0.00054   0.00059   2.10022
   R65        2.65127   0.00012  -0.00002   0.00037   0.00035   2.65162
   R66        2.65247   0.00006   0.00010  -0.00034  -0.00024   2.65223
   R67        2.64008   0.00007   0.00034  -0.00035  -0.00002   2.64006
   R68        2.06117  -0.00006  -0.00132   0.00083  -0.00049   2.06068
   R69        2.64297   0.00008  -0.00025   0.00047   0.00022   2.64319
   R70        2.05759   0.00005   0.00023  -0.00004   0.00019   2.05778
   R71        2.64270   0.00013   0.00031  -0.00029   0.00001   2.64272
   R72        2.05526   0.00004   0.00017   0.00000   0.00018   2.05544
   R73        2.64010   0.00020   0.00008   0.00047   0.00055   2.64065
   R74        2.05737   0.00002   0.00017  -0.00009   0.00008   2.05745
   R75        2.05460  -0.00003   0.00010  -0.00013  -0.00002   2.05458
   R76        2.60807  -0.00177  -0.00003  -0.00168  -0.00171   2.60636
   R77        1.92564  -0.00009  -0.00115   0.00071  -0.00044   1.92520
   R78        2.29502  -0.00141  -0.00044  -0.00061  -0.00105   2.29398
   R79        2.65003  -0.00031  -0.00199   0.00196  -0.00003   2.65000
   R80        2.75219  -0.00050  -0.00034   0.00093   0.00060   2.75279
   R81        2.79591   0.00002  -0.00071   0.00117   0.00046   2.79637
   R82        2.09922   0.00036   0.00097  -0.00012   0.00085   2.10007
   R83        2.10098  -0.00033  -0.00020  -0.00003  -0.00023   2.10075
   R84        2.58637   0.00051  -0.00011   0.00019   0.00008   2.58645
   R85        3.29190  -0.00006   0.00028   0.00076   0.00105   3.29294
   R86        2.66536   0.00027   0.00082   0.00069   0.00151   2.66687
   R87        2.05317   0.00011  -0.00018   0.00027   0.00009   2.05326
   R88        2.47739   0.00039  -0.00070  -0.00002  -0.00071   2.47668
   R89        3.35144  -0.00014   0.00121   0.00056   0.00177   3.35321
   R90        2.04688   0.00010   0.00006   0.00019   0.00024   2.04713
   R91        2.89593  -0.00024   0.00114  -0.00285  -0.00172   2.89422
   R92        2.89288  -0.00032  -0.00014  -0.00089  -0.00103   2.89185
   R93        2.12235  -0.00010  -0.00001   0.00012   0.00011   2.12246
   R94        2.08041  -0.00032  -0.00119  -0.00033  -0.00152   2.07890
   R95        2.08278  -0.00050  -0.00334   0.00012  -0.00322   2.07956
   R96        2.07596   0.00008   0.00026  -0.00108  -0.00082   2.07515
   R97        2.07451  -0.00012  -0.00033   0.00004  -0.00029   2.07422
   R98        2.07957   0.00045   0.00018  -0.00002   0.00016   2.07973
   R99        2.06930  -0.00004  -0.00016  -0.00016  -0.00033   2.06897
   R100       3.28156  -0.00020  -0.00106   0.00149   0.00043   3.28199
   R101       2.04090  -0.00006   0.00019   0.00050   0.00070   2.04160
    A1        1.93334   0.00006   0.00016   0.00000   0.00016   1.93350
    A2        1.94750  -0.00004   0.00055  -0.00042   0.00014   1.94764
    A3        1.96066   0.00000   0.00128  -0.00049   0.00079   1.96145
    A4        1.87287  -0.00001  -0.00062   0.00068   0.00006   1.87294
    A5        1.86874  -0.00002  -0.00197   0.00045  -0.00152   1.86722
    A6        1.87643   0.00001   0.00041  -0.00014   0.00027   1.87671
    A7        1.95024   0.00016  -0.00030   0.00011  -0.00021   1.95003
    A8        1.92955   0.00001   0.00551  -0.00287   0.00266   1.93220
    A9        1.89094  -0.00012  -0.00088  -0.00056  -0.00143   1.88951
   A10        1.92399  -0.00018  -0.00527   0.00312  -0.00216   1.92184
   A11        1.88802   0.00006   0.00100   0.00008   0.00109   1.88912
   A12        1.87888   0.00007  -0.00009   0.00012   0.00005   1.87893
   A13        1.96211  -0.00010  -0.00173   0.00054  -0.00119   1.96091
   A14        1.94408   0.00005  -0.00085   0.00092   0.00007   1.94415
   A15        1.93476   0.00003   0.00067  -0.00034   0.00033   1.93509
   A16        1.87434   0.00002   0.00031  -0.00020   0.00012   1.87447
   A17        1.86996   0.00003   0.00137  -0.00085   0.00052   1.87047
   A18        1.87440  -0.00002   0.00038  -0.00016   0.00022   1.87462
   A19        2.20969  -0.00017  -0.00194   0.00142  -0.00049   2.20919
   A20        2.11727  -0.00002   0.00129  -0.00115   0.00017   2.11744
   A21        1.95622   0.00020   0.00057  -0.00027   0.00031   1.95653
   A22        1.96124  -0.00019  -0.00065   0.00045  -0.00020   1.96103
   A23        2.03696   0.00040   0.00109  -0.00022   0.00088   2.03783
   A24        2.01137   0.00011  -0.00005   0.00022   0.00017   2.01154
   A25        2.23479  -0.00052  -0.00106   0.00000  -0.00106   2.23374
   A26        1.99157  -0.00049   0.00263  -0.00349  -0.00085   1.99072
   A27        1.92061  -0.00008  -0.00223   0.00079  -0.00145   1.91917
   A28        1.91116   0.00051   0.00266  -0.00014   0.00252   1.91368
   A29        1.91661   0.00004  -0.00088   0.00043  -0.00046   1.91615
   A30        1.87918   0.00005  -0.00203   0.00203   0.00000   1.87918
   A31        1.83797   0.00002  -0.00034   0.00074   0.00041   1.83838
   A32        1.99685   0.00062  -0.00345   0.00238  -0.00039   1.99647
   A33        2.13590  -0.00074  -0.00694   0.00496  -0.00127   2.13462
   A34        2.02355   0.00000  -0.00816   0.00525  -0.00227   2.02129
   A35        1.90307  -0.00035  -0.00019   0.00076   0.00057   1.90364
   A36        1.92102   0.00004  -0.00306   0.00158  -0.00148   1.91954
   A37        1.96328  -0.00009   0.00215  -0.00217  -0.00002   1.96326
   A38        1.88596   0.00009   0.00041   0.00062   0.00103   1.88699
   A39        1.90115   0.00020   0.00026  -0.00036  -0.00009   1.90105
   A40        1.88773   0.00012   0.00040  -0.00034   0.00005   1.88778
   A41        2.11494   0.00103   0.00141   0.00035   0.00179   2.11673
   A42        2.06041  -0.00108  -0.00178   0.00060  -0.00116   2.05925
   A43        2.10751   0.00005   0.00057  -0.00133  -0.00073   2.10677
   A44        2.03987  -0.00058  -0.00431  -0.00056  -0.00434   2.03553
   A45        2.07879   0.00011  -0.00608  -0.00049  -0.00601   2.07278
   A46        1.97954   0.00018  -0.00426   0.00025  -0.00337   1.97617
   A47        1.89216  -0.00059   0.00285  -0.00308  -0.00024   1.89192
   A48        1.90533  -0.00237  -0.00186  -0.00006  -0.00189   1.90343
   A49        1.89160   0.00073  -0.00038   0.00130   0.00092   1.89252
   A50        1.94062   0.00364   0.00426  -0.00025   0.00400   1.94463
   A51        1.93499  -0.00141  -0.00547   0.00344  -0.00202   1.93297
   A52        1.89834  -0.00010   0.00048  -0.00133  -0.00084   1.89750
   A53        2.12517  -0.00004   0.00165  -0.00112   0.00049   2.12566
   A54        2.03815  -0.00016  -0.00240  -0.00039  -0.00284   2.03532
   A55        2.11948   0.00014   0.00086   0.00095   0.00177   2.12125
   A56        2.10649   0.00258   0.00347   0.00032   0.00379   2.11028
   A57        2.12025  -0.00108   0.00063   0.00004   0.00067   2.12092
   A58        2.03480  -0.00095  -0.00073   0.00074   0.00001   2.03481
   A59        1.91252  -0.00240  -0.00214  -0.00033  -0.00247   1.91005
   A60        1.92860   0.00605   0.00443  -0.00087   0.00356   1.93216
   A61        1.87780  -0.00136   0.00018  -0.00056  -0.00039   1.87741
   A62        1.95522  -0.00349  -0.00313   0.00091  -0.00222   1.95300
   A63        1.88495   0.00144  -0.00029   0.00112   0.00083   1.88577
   A64        1.90258  -0.00026   0.00099  -0.00028   0.00072   1.90330
   A65        1.99396   0.00003  -0.00142   0.00111  -0.00031   1.99366
   A66        1.89438  -0.00004   0.00000  -0.00078  -0.00078   1.89360
   A67        1.89941  -0.00003  -0.00012   0.00069   0.00056   1.89997
   A68        1.91786   0.00000  -0.00037  -0.00025  -0.00061   1.91724
   A69        1.92421   0.00003   0.00197  -0.00074   0.00122   1.92544
   A70        1.82627   0.00001   0.00004  -0.00014  -0.00009   1.82617
   A71        2.09512   0.00003   0.00038  -0.00052  -0.00014   2.09498
   A72        2.10308  -0.00005  -0.00061   0.00043  -0.00018   2.10290
   A73        2.08496   0.00002   0.00023   0.00008   0.00031   2.08528
   A74        2.09738  -0.00006  -0.00030  -0.00002  -0.00032   2.09706
   A75        2.09631   0.00003  -0.00041   0.00044   0.00003   2.09635
   A76        2.08944   0.00003   0.00070  -0.00041   0.00029   2.08972
   A77        2.09850   0.00001   0.00013  -0.00003   0.00010   2.09860
   A78        2.09045   0.00002   0.00007  -0.00013  -0.00005   2.09040
   A79        2.09423  -0.00002  -0.00020   0.00016  -0.00004   2.09419
   A80        2.08977   0.00001   0.00002   0.00002   0.00004   2.08981
   A81        2.09638   0.00002   0.00009   0.00012   0.00022   2.09660
   A82        2.09703  -0.00003  -0.00011  -0.00015  -0.00026   2.09677
   A83        2.09905   0.00004   0.00005   0.00002   0.00008   2.09912
   A84        2.09244   0.00003   0.00026  -0.00008   0.00018   2.09262
   A85        2.09170  -0.00006  -0.00032   0.00005  -0.00026   2.09144
   A86        2.09668  -0.00001  -0.00014  -0.00008  -0.00021   2.09646
   A87        2.09751  -0.00003  -0.00010  -0.00005  -0.00014   2.09737
   A88        2.08898   0.00004   0.00023   0.00012   0.00036   2.08934
   A89        1.95682   0.00434   0.00143  -0.00155  -0.00010   1.95671
   A90        1.92094  -0.00041   0.00347  -0.00302   0.00047   1.92141
   A91        1.91215  -0.00239  -0.00456   0.00198  -0.00258   1.90957
   A92        1.88879  -0.00138   0.00384  -0.00289   0.00098   1.88976
   A93        1.93784  -0.00101  -0.00305   0.00401   0.00097   1.93881
   A94        1.84383   0.00063  -0.00115   0.00152   0.00035   1.84418
   A95        1.83425  -0.00043   0.00309  -0.00439  -0.00128   1.83297
   A96        1.96995   0.00129  -0.00046   0.00287   0.00241   1.97235
   A97        1.96065  -0.00003   0.00090  -0.00103  -0.00009   1.96056
   A98        1.83873  -0.00123  -0.00707   0.00728   0.00020   1.83892
   A99        1.91265   0.00095   0.00489  -0.00443   0.00049   1.91315
   A100       1.93977  -0.00060  -0.00142  -0.00027  -0.00170   1.93807
   A101       1.92565  -0.00002   0.00354  -0.00618  -0.00265   1.92300
   A102       1.94743   0.00067   0.00133  -0.00197  -0.00062   1.94682
   A103       1.89484  -0.00106  -0.00086  -0.00123  -0.00208   1.89276
   A104       1.88754   0.00033   0.00095   0.00391   0.00486   1.89239
   A105       1.95942  -0.00012  -0.00563   0.00159  -0.00403   1.95539
   A106       1.91941  -0.00008   0.00221  -0.00074   0.00146   1.92087
   A107       1.85141   0.00025   0.00217  -0.00141   0.00075   1.85216
   A108       1.95190   0.00020  -0.00099   0.00068  -0.00031   1.95159
   A109       1.91488  -0.00012  -0.00031  -0.00037  -0.00068   1.91420
   A110       1.91064   0.00013   0.00040   0.00025   0.00065   1.91129
   A111       1.93235  -0.00013   0.00212  -0.00223  -0.00011   1.93224
   A112       1.92393  -0.00015  -0.00066   0.00063  -0.00003   1.92390
   A113       1.82600   0.00007  -0.00054   0.00108   0.00054   1.82654
   A114       2.09538  -0.00013   0.00090  -0.00129  -0.00039   2.09499
   A115       2.09967   0.00002  -0.00115   0.00103  -0.00011   2.09955
   A116       2.08814   0.00011   0.00024   0.00026   0.00050   2.08864
   A117       2.09555  -0.00007  -0.00031  -0.00007  -0.00038   2.09518
   A118       2.09173   0.00002   0.00146  -0.00110   0.00036   2.09209
   A119       2.09590   0.00005  -0.00115   0.00117   0.00002   2.09592
   A120       2.09822   0.00004   0.00023  -0.00007   0.00016   2.09839
   A121       2.09155  -0.00006  -0.00043   0.00021  -0.00022   2.09133
   A122       2.09341   0.00002   0.00019  -0.00014   0.00006   2.09347
   A123       2.09089   0.00000  -0.00006   0.00006   0.00000   2.09089
   A124       2.09592   0.00003   0.00023  -0.00022   0.00002   2.09594
   A125       2.09638  -0.00003  -0.00018   0.00016  -0.00002   2.09636
   A126       2.09861   0.00000  -0.00002   0.00007   0.00005   2.09866
   A127       2.09306  -0.00001  -0.00008   0.00014   0.00006   2.09312
   A128       2.09151   0.00001   0.00010  -0.00020  -0.00010   2.09141
   A129       2.09496  -0.00008  -0.00009  -0.00024  -0.00034   2.09462
   A130       2.09664   0.00013   0.00049   0.00039   0.00088   2.09752
   A131       2.09159  -0.00005  -0.00039  -0.00015  -0.00054   2.09104
   A132       2.15010  -0.00150  -0.01072   0.00592  -0.00417   2.14593
   A133       2.04600   0.00074   0.00473  -0.00322   0.00213   2.04813
   A134       2.08660   0.00077   0.00311  -0.00183   0.00190   2.08851
   A135       2.26835  -0.00033  -0.00553   0.00349  -0.00205   2.26630
   A136       1.87761  -0.00023   0.00283  -0.00311  -0.00029   1.87732
   A137       2.13694   0.00059   0.00287  -0.00078   0.00208   2.13903
   A138       2.02290  -0.00115  -0.00370   0.00279  -0.00091   2.02199
   A139       1.90870  -0.00146   0.00042  -0.00469  -0.00426   1.90444
   A140       1.76841   0.00039   0.00014   0.00017   0.00031   1.76871
   A141       1.90636   0.00043  -0.00123   0.00229   0.00107   1.90743
   A142       1.95949   0.00059   0.00307  -0.00100   0.00208   1.96157
   A143       1.97850   0.00022  -0.00323   0.00356   0.00032   1.97882
   A144       1.93023  -0.00018   0.00110  -0.00074   0.00036   1.93059
   A145       2.25644  -0.00032   0.00196  -0.00127   0.00068   2.25712
   A146       2.11640   0.00025  -0.00269   0.00152  -0.00118   2.11522
   A147       1.91035   0.00007   0.00073  -0.00026   0.00046   1.91082
   A148       2.01484  -0.00018  -0.00055   0.00002  -0.00053   2.01431
   A149       2.20837   0.00006  -0.00001   0.00090   0.00090   2.20926
   A150       2.05998   0.00012   0.00056  -0.00092  -0.00037   2.05961
   A151       1.95630  -0.00006   0.00015   0.00024   0.00040   1.95670
   A152       1.96802   0.00008   0.00030  -0.00026   0.00001   1.96803
   A153       2.19580  -0.00004   0.00052   0.00085   0.00133   2.19713
   A154       2.11936  -0.00004  -0.00080  -0.00053  -0.00136   2.11800
   A155       1.57525   0.00010  -0.00062   0.00019  -0.00042   1.57482
   A156       1.97630  -0.00050  -0.00183   0.00061  -0.00122   1.97508
   A157       1.91516  -0.00054  -0.00235  -0.00122  -0.00357   1.91159
   A158       1.85067   0.00020   0.00149  -0.00209  -0.00059   1.85008
   A159       1.94750   0.00145   0.00422  -0.00211   0.00211   1.94961
   A160       1.88570  -0.00065  -0.00080   0.00081   0.00000   1.88570
   A161       1.88346  -0.00001  -0.00083   0.00430   0.00346   1.88692
   A162       1.97468  -0.00084   0.00181  -0.00320  -0.00138   1.97330
   A163       1.96314   0.00081   0.00057   0.00043   0.00103   1.96417
   A164       1.94435   0.00023  -0.00062   0.00086   0.00025   1.94460
   A165       1.86317   0.00014   0.00392  -0.00196   0.00197   1.86514
   A166       1.84638   0.00046  -0.00054   0.00465   0.00411   1.85049
   A167       1.86425  -0.00084  -0.00555  -0.00052  -0.00603   1.85822
   A168       1.93166   0.00003   0.00091  -0.00026   0.00065   1.93231
   A169       1.96521   0.00005   0.00108  -0.00150  -0.00042   1.96479
   A170       1.95724  -0.00006  -0.00097  -0.00012  -0.00109   1.95615
   A171       1.85649   0.00016   0.00037   0.00258   0.00295   1.85944
   A172       1.86291   0.00003  -0.00003   0.00075   0.00072   1.86363
   A173       1.88456  -0.00020  -0.00139  -0.00121  -0.00260   1.88196
   A174       1.91594  -0.00009   0.00010  -0.00022  -0.00011   1.91584
   A175       2.24541  -0.00021  -0.00275   0.00210  -0.00064   2.24476
   A176       2.12181   0.00031   0.00265  -0.00191   0.00075   2.12257
   A177       1.58000  -0.00003   0.00002  -0.00018  -0.00017   1.57983
    D1        1.14300   0.00001  -0.01408  -0.00348  -0.01757   1.12544
    D2       -2.99032  -0.00010  -0.01713  -0.00145  -0.01858  -3.00891
    D3       -0.93531  -0.00008  -0.01458  -0.00329  -0.01787  -0.95318
    D4       -3.05473   0.00001  -0.01439  -0.00290  -0.01729  -3.07202
    D5       -0.90487  -0.00010  -0.01744  -0.00087  -0.01830  -0.92317
    D6        1.15014  -0.00008  -0.01488  -0.00270  -0.01759   1.13255
    D7       -0.94597   0.00000  -0.01254  -0.00373  -0.01627  -0.96224
    D8        1.20389  -0.00011  -0.01559  -0.00169  -0.01729   1.18660
    D9       -3.02428  -0.00009  -0.01304  -0.00353  -0.01657  -3.04086
   D10        1.02580   0.00000   0.01528  -0.02054  -0.00526   1.02054
   D11        3.13045  -0.00001   0.01388  -0.01976  -0.00588   3.12456
   D12       -1.06667   0.00001   0.01425  -0.01958  -0.00534  -1.07201
   D13       -1.12720   0.00000   0.01220  -0.01918  -0.00697  -1.13417
   D14        0.97744  -0.00001   0.01080  -0.01840  -0.00760   0.96985
   D15        3.06351   0.00001   0.01116  -0.01822  -0.00705   3.05646
   D16        3.10585  -0.00002   0.01466  -0.02111  -0.00645   3.09939
   D17       -1.07269  -0.00003   0.01326  -0.02033  -0.00708  -1.07977
   D18        1.01337  -0.00001   0.01362  -0.02016  -0.00654   1.00684
   D19        2.12647  -0.00004   0.10114  -0.05067   0.05045   2.17692
   D20       -1.01677  -0.00013   0.09365  -0.04894   0.04469  -0.97208
   D21       -1.99171   0.00005   0.10084  -0.05034   0.05051  -1.94120
   D22        1.14824  -0.00004   0.09335  -0.04861   0.04476   1.19300
   D23        0.06407   0.00006   0.09911  -0.04845   0.05066   0.11473
   D24       -3.07916  -0.00003   0.09162  -0.04672   0.04490  -3.03426
   D25        3.14087  -0.00008  -0.00685   0.00239  -0.00448   3.13639
   D26        0.00079   0.00001   0.00003   0.00079   0.00083   0.00162
   D27        3.14086   0.00008   0.00640  -0.00211   0.00425  -3.13807
   D28       -0.00215   0.00000  -0.00013  -0.00061  -0.00074  -0.00289
   D29        3.13206  -0.00001  -0.00101  -0.00030  -0.00131   3.13075
   D30        0.00154  -0.00001   0.00012  -0.00064  -0.00052   0.00101
   D31        2.15887   0.00017   0.02981  -0.02401   0.00579   2.16466
   D32       -1.96088  -0.00020   0.02883  -0.02542   0.00342  -1.95746
   D33        0.05145   0.00006   0.02868  -0.02416   0.00453   0.05598
   D34       -0.99544   0.00017   0.02854  -0.02363   0.00490  -0.99054
   D35        1.16799  -0.00020   0.02756  -0.02503   0.00252   1.17052
   D36       -3.10286   0.00007   0.02741  -0.02378   0.00363  -3.09922
   D37       -0.00312   0.00000  -0.00021   0.00016  -0.00005  -0.00317
   D38       -3.13744   0.00002  -0.00523   0.00465  -0.00061  -3.13804
   D39       -3.13215   0.00000   0.00103  -0.00022   0.00083  -3.13133
   D40        0.01672   0.00001  -0.00399   0.00427   0.00027   0.01699
   D41       -1.26519  -0.00016   0.02578  -0.01408   0.01169  -1.25350
   D42        1.33426  -0.00036  -0.00874   0.01214   0.00340   1.33765
   D43        2.85241   0.00028   0.02747  -0.01288   0.01459   2.86700
   D44       -0.83133   0.00008  -0.00705   0.01334   0.00629  -0.82504
   D45        0.85995   0.00021   0.02941  -0.01506   0.01435   0.87430
   D46       -2.82379   0.00001  -0.00511   0.01115   0.00605  -2.81774
   D47       -1.16076  -0.00023   0.03694  -0.01070   0.02617  -1.13459
   D48        3.05649  -0.00016   0.03835  -0.01283   0.02545   3.08194
   D49        0.95014  -0.00028   0.03856  -0.01204   0.02643   0.97657
   D50        2.48671   0.00022   0.06869  -0.03513   0.03363   2.52035
   D51        0.42078   0.00029   0.07010  -0.03726   0.03291   0.45369
   D52       -1.68557   0.00017   0.07031  -0.03648   0.03390  -1.65167
   D53       -2.91273   0.00010   0.02515  -0.03262  -0.00741  -2.92014
   D54        0.25641  -0.00021   0.01399  -0.01741  -0.00336   0.25305
   D55       -0.32091   0.00007  -0.00835  -0.00685  -0.01527  -0.33618
   D56        2.84823  -0.00025  -0.01951   0.00835  -0.01122   2.83701
   D57        2.78424   0.00010   0.01177  -0.01100   0.00063   2.78487
   D58        0.29916   0.00048   0.03248  -0.00985   0.02278   0.32194
   D59       -0.32993  -0.00023   0.00065   0.00411   0.00462  -0.32531
   D60       -2.81501   0.00015   0.02137   0.00527   0.02677  -2.78824
   D61       -1.76608   0.00162   0.02930  -0.00725   0.02208  -1.74400
   D62        2.40059  -0.00103   0.02349  -0.00503   0.01849   2.41908
   D63        0.33551   0.00000   0.02415  -0.00414   0.02004   0.35555
   D64        0.75536   0.00125   0.00879  -0.00859   0.00018   0.75554
   D65       -1.36115  -0.00141   0.00299  -0.00637  -0.00341  -1.36456
   D66        2.85695  -0.00037   0.00365  -0.00548  -0.00186   2.85509
   D67       -0.57696   0.00046   0.01760  -0.02096  -0.00335  -0.58031
   D68        2.53532  -0.00196   0.02217  -0.04264  -0.02045   2.51487
   D69        1.51765  -0.00062   0.01978  -0.02316  -0.00340   1.51425
   D70       -1.65325  -0.00305   0.02435  -0.04484  -0.02050  -1.67375
   D71       -2.65135   0.00076   0.01953  -0.02267  -0.00313  -2.65448
   D72        0.46094  -0.00166   0.02410  -0.04435  -0.02024   0.44070
   D73        1.22903  -0.00100  -0.01893   0.01189  -0.00703   1.22201
   D74       -2.86554   0.00013  -0.01654   0.00861  -0.00793  -2.87347
   D75       -0.83569  -0.00005  -0.01789   0.01191  -0.00597  -0.84166
   D76       -0.85776  -0.00100  -0.02389   0.01591  -0.00799  -0.86575
   D77        1.33086   0.00012  -0.02151   0.01262  -0.00890   1.32196
   D78       -2.92248  -0.00005  -0.02285   0.01592  -0.00693  -2.92941
   D79       -2.99329  -0.00152  -0.02014   0.01265  -0.00748  -3.00077
   D80       -0.80468  -0.00040  -0.01775   0.00937  -0.00839  -0.81306
   D81        1.22517  -0.00057  -0.01909   0.01267  -0.00642   1.21874
   D82        3.06221   0.00428   0.02279   0.02157   0.04437   3.10658
   D83        0.15024   0.00153   0.00386   0.01577   0.01963   0.16987
   D84       -0.10859   0.00186   0.02736  -0.00007   0.02729  -0.08130
   D85       -3.02055  -0.00088   0.00842  -0.00587   0.00255  -3.01801
   D86        2.45475  -0.00189  -0.09187   0.02823  -0.06363   2.39112
   D87       -1.66573  -0.00385  -0.09430   0.02857  -0.06573  -1.73146
   D88        0.40954  -0.00154  -0.09046   0.02740  -0.06307   0.34647
   D89       -0.90565   0.00068  -0.07369   0.03368  -0.04001  -0.94566
   D90        1.25706  -0.00128  -0.07612   0.03401  -0.04211   1.21495
   D91       -2.95086   0.00103  -0.07228   0.03284  -0.03944  -2.99031
   D92        1.07119   0.00191   0.01876  -0.01016   0.00860   1.07979
   D93       -1.07540   0.00192   0.02020  -0.01001   0.01019  -1.06521
   D94       -3.05330   0.00195   0.02022  -0.00980   0.01041  -3.04289
   D95       -1.07584  -0.00172   0.01676  -0.00943   0.00733  -1.06851
   D96        3.06075  -0.00171   0.01821  -0.00929   0.00892   3.06967
   D97        1.08285  -0.00168   0.01822  -0.00908   0.00914   1.09199
   D98        3.11191  -0.00021   0.01763  -0.01038   0.00725   3.11916
   D99        0.96532  -0.00020   0.01908  -0.01024   0.00885   0.97416
   D100      -1.01258  -0.00017   0.01910  -0.01003   0.00907  -1.00352
   D101       1.15624   0.00117   0.02422  -0.02402   0.00019   1.15644
   D102      -0.94707   0.00032   0.01595  -0.01726  -0.00131  -0.94838
   D103      -2.96723   0.00118   0.01800  -0.01851  -0.00051  -2.96774
   D104      -2.98902  -0.00002   0.02244  -0.02443  -0.00199  -2.99102
   D105       1.19084  -0.00087   0.01417  -0.01767  -0.00349   1.18735
   D106      -0.82931  -0.00001   0.01623  -0.01892  -0.00269  -0.83200
   D107      -0.90391  -0.00058   0.02078  -0.02265  -0.00188  -0.90579
   D108      -3.00723  -0.00142   0.01251  -0.01589  -0.00338  -3.01060
   D109       1.25581  -0.00057   0.01457  -0.01714  -0.00258   1.25323
   D110      -1.60292   0.00003   0.02545  -0.01517   0.01028  -1.59264
   D111       1.54598   0.00004   0.02550  -0.01481   0.01070   1.55668
   D112       0.53088   0.00000   0.02417  -0.01559   0.00858   0.53947
   D113      -2.60339   0.00001   0.02422  -0.01522   0.00900  -2.59439
   D114       2.53497   0.00003   0.02513  -0.01632   0.00881   2.54378
   D115      -0.59931   0.00004   0.02519  -0.01595   0.00923  -0.59008
   D116       3.14061   0.00000  -0.00050   0.00095   0.00045   3.14106
   D117      -0.01206   0.00000  -0.00137   0.00191   0.00055  -0.01151
   D118      -0.00823  -0.00001  -0.00056   0.00059   0.00003  -0.00819
   D119       3.12230  -0.00001  -0.00142   0.00155   0.00013   3.12243
   D120      -3.14078   0.00000   0.00036  -0.00070  -0.00034  -3.14112
   D121       0.00624   0.00001   0.00084  -0.00066   0.00019   0.00643
   D122       0.00808   0.00001   0.00041  -0.00033   0.00008   0.00816
   D123      -3.12808   0.00002   0.00089  -0.00029   0.00060  -3.12747
   D124       0.00206   0.00000   0.00028  -0.00038  -0.00010   0.00196
   D125       3.14041   0.00000  -0.00011  -0.00016  -0.00027   3.14014
   D126      -3.12851   0.00000   0.00115  -0.00135  -0.00020  -3.12871
   D127       0.00984   0.00000   0.00076  -0.00112  -0.00037   0.00948
   D128       0.00429   0.00000   0.00015  -0.00009   0.00006   0.00435
   D129      -3.14127   0.00000  -0.00035   0.00011  -0.00024  -3.14151
   D130      -3.13405   0.00000   0.00054  -0.00032   0.00022  -3.13383
   D131       0.00357   0.00000   0.00004  -0.00012  -0.00007   0.00350
   D132      -0.00443   0.00000  -0.00030   0.00036   0.00005  -0.00438
   D133       3.13524   0.00000  -0.00060   0.00044  -0.00016   3.13508
   D134       3.14113   0.00000   0.00019   0.00015   0.00035   3.14148
   D135      -0.00238   0.00000  -0.00011   0.00024   0.00013  -0.00225
   D136      -0.00178  -0.00001   0.00002  -0.00014  -0.00012  -0.00190
   D137       3.13440  -0.00001  -0.00046  -0.00018  -0.00064   3.13376
   D138      -3.14146   0.00000   0.00032  -0.00023   0.00010  -3.14136
   D139      -0.00527  -0.00001  -0.00016  -0.00027  -0.00043  -0.00570
   D140      -1.72855  -0.00184   0.04371  -0.01708   0.02664  -1.70191
   D141       2.55990  -0.00075   0.05054  -0.02456   0.02598   2.58588
   D142       0.34999  -0.00098   0.05211  -0.02571   0.02639   0.37638
   D143       0.39331  -0.00054   0.05164  -0.02381   0.02783   0.42114
   D144      -1.60143   0.00055   0.05848  -0.03129   0.02718  -1.57425
   D145       2.47185   0.00033   0.06004  -0.03244   0.02758   2.49943
   D146       2.40937  -0.00114   0.05081  -0.02147   0.02935   2.43872
   D147       0.41463  -0.00005   0.05765  -0.02895   0.02870   0.44333
   D148      -1.79528  -0.00027   0.05921  -0.03010   0.02911  -1.76617
   D149       2.33708   0.00024  -0.03177   0.01786  -0.01392   2.32316
   D150      -1.86154   0.00094  -0.03413   0.02245  -0.01169  -1.87323
   D151       0.22670   0.00003  -0.03731   0.02395  -0.01333   0.21336
   D152      -1.06191  -0.00084   0.01430  -0.03872  -0.02442  -1.08633
   D153       3.05285  -0.00039   0.02109  -0.03854  -0.01744   3.03541
   D154       1.05132  -0.00030   0.01851  -0.03829  -0.01977   1.03155
   D155      -3.05393  -0.00023   0.01497  -0.03915  -0.02419  -3.07812
   D156       1.06082   0.00022   0.02176  -0.03897  -0.01721   1.04361
   D157      -0.94071   0.00030   0.01918  -0.03872  -0.01954  -0.96025
   D158       1.15908  -0.00033   0.01402  -0.03801  -0.02400   1.13507
   D159      -1.00936   0.00012   0.02081  -0.03783  -0.01702  -1.02638
   D160      -3.01089   0.00021   0.01823  -0.03758  -0.01935  -3.03024
   D161       2.99089   0.00067  -0.00500   0.01279   0.00779   2.99868
   D162      -1.14107   0.00055  -0.00319   0.01014   0.00695  -1.13412
   D163       0.85341   0.00064  -0.00378   0.01136   0.00758   0.86099
   D164      -1.16062  -0.00031  -0.00916   0.01091   0.00175  -1.15887
   D165       0.99061  -0.00043  -0.00735   0.00825   0.00090   0.99151
   D166       2.98508  -0.00034  -0.00794   0.00948   0.00154   2.98662
   D167       0.89633  -0.00013  -0.00856   0.00966   0.00111   0.89744
   D168       3.04756  -0.00025  -0.00675   0.00701   0.00027   3.04782
   D169      -1.24115  -0.00016  -0.00734   0.00823   0.00090  -1.24025
   D170       1.33346  -0.00020  -0.05872   0.02902  -0.02972   1.30374
   D171      -1.84165   0.00034  -0.09364   0.05947  -0.03418  -1.87583
   D172      -0.82784  -0.00021  -0.05607   0.03133  -0.02474  -0.85258
   D173       2.28024   0.00033  -0.09100   0.06178  -0.02920   2.25104
   D174      -2.92472  -0.00020  -0.05694   0.03224  -0.02471  -2.94943
   D175       0.18335   0.00034  -0.09186   0.06268  -0.02917   0.15419
   D176       1.77625  -0.00011  -0.00492  -0.00014  -0.00506   1.77119
   D177      -1.36563  -0.00011  -0.00387  -0.00053  -0.00441  -1.37004
   D178      -0.36505   0.00000  -0.00535   0.00146  -0.00389  -0.36894
   D179       2.77625   0.00000  -0.00430   0.00107  -0.00323   2.77302
   D180      -2.37705   0.00008  -0.00555   0.00108  -0.00447  -2.38151
   D181       0.76425   0.00008  -0.00450   0.00069  -0.00381   0.76044
   D182       3.13980   0.00001   0.00127  -0.00049   0.00078   3.14058
   D183      -0.00064  -0.00002   0.00145  -0.00096   0.00048  -0.00016
   D184      -0.00150   0.00001   0.00023  -0.00010   0.00013  -0.00138
   D185       3.14124  -0.00002   0.00040  -0.00057  -0.00017   3.14107
   D186      -3.14023  -0.00001  -0.00118   0.00048  -0.00069  -3.14092
   D187      -0.00080  -0.00001  -0.00129   0.00057  -0.00072  -0.00152
   D188       0.00107  -0.00001  -0.00013   0.00009  -0.00004   0.00103
   D189       3.14050   0.00000  -0.00025   0.00018  -0.00007   3.14044
   D190       0.00117  -0.00001  -0.00011   0.00000  -0.00012   0.00105
   D191      -3.14004  -0.00001  -0.00010  -0.00010  -0.00020  -3.14024
   D192      -3.14158   0.00002  -0.00029   0.00047   0.00018  -3.14140
   D193       0.00040   0.00002  -0.00027   0.00037   0.00009   0.00049
   D194      -0.00039   0.00000  -0.00010   0.00012   0.00002  -0.00037
   D195      -3.14101   0.00000   0.00003  -0.00001   0.00002  -3.14099
   D196       3.14081   0.00001  -0.00011   0.00022   0.00011   3.14092
   D197       0.00019   0.00001   0.00002   0.00009   0.00011   0.00030
   D198      -0.00004   0.00000   0.00019  -0.00012   0.00007   0.00002
   D199      -3.14080   0.00000   0.00026  -0.00017   0.00009  -3.14071
   D200       3.14058   0.00000   0.00006   0.00000   0.00006   3.14064
   D201      -0.00017   0.00000   0.00013  -0.00004   0.00008  -0.00009
   D202      -0.00030   0.00000  -0.00008   0.00002  -0.00006  -0.00036
   D203      -3.13974   0.00000   0.00004  -0.00007  -0.00003  -3.13977
   D204       3.14045   0.00000  -0.00014   0.00006  -0.00008   3.14038
   D205       0.00101   0.00000  -0.00003  -0.00002  -0.00005   0.00096
   D206       0.01340  -0.00002  -0.02534   0.03136   0.00599   0.01939
   D207       3.12961   0.00153  -0.01630   0.01268  -0.00363   3.12597
   D208      -3.09393  -0.00057   0.01027   0.00025   0.01055  -3.08338
   D209       0.02228   0.00098   0.01932  -0.01842   0.00092   0.02320
   D210       2.94667  -0.00130  -0.00242  -0.01928  -0.02170   2.92497
   D211      -0.21798   0.00010   0.00562  -0.03616  -0.03054  -0.24851
   D212      -1.54415   0.00048   0.01876  -0.01740   0.00136  -1.54279
   D213       2.66756   0.00022   0.01501  -0.01438   0.00063   2.66819
   D214       0.63028   0.00006   0.01418  -0.01455  -0.00036   0.62992
   D215      -0.52551  -0.00002   0.08341  -0.04796   0.03545  -0.49006
   D216       2.61438  -0.00023   0.08295  -0.05485   0.02810   2.64248
   D217       1.42297  -0.00007   0.08548  -0.05101   0.03447   1.45744
   D218      -1.72033  -0.00028   0.08503  -0.05790   0.02712  -1.69320
   D219      -2.65723   0.00035   0.08687  -0.04992   0.03696  -2.62027
   D220       0.48266   0.00014   0.08642  -0.05681   0.02962   0.51228
   D221      -3.14124  -0.00029  -0.00364  -0.00165  -0.00529   3.13665
   D222      -0.00320  -0.00002  -0.00235  -0.00086  -0.00320  -0.00640
   D223       0.00189  -0.00009  -0.00322   0.00460   0.00137   0.00327
   D224       3.13994   0.00017  -0.00193   0.00539   0.00346  -3.13979
   D225       3.13838   0.00013   0.00354  -0.00140   0.00214   3.14052
   D226      -0.00461  -0.00004   0.00317  -0.00706  -0.00389  -0.00849
   D227       0.00324   0.00023   0.00131   0.00183   0.00315   0.00638
   D228      -3.13513  -0.00001   0.00014   0.00110   0.00125  -3.13388
   D229      -0.00678  -0.00026   0.00125  -0.00737  -0.00612  -0.01290
   D230       3.13025   0.00015  -0.00012   0.00585   0.00574   3.13599
   D231       0.00672   0.00018  -0.00260   0.00851   0.00591   0.01262
   D232      -3.13053  -0.00021  -0.00130  -0.00407  -0.00536  -3.13589
   D233      -0.14583   0.00008   0.12497  -0.07897   0.04600  -0.09983
   D234       1.96722   0.00025   0.13193  -0.08360   0.04834   2.01556
   D235      -2.22338  -0.00010   0.12487  -0.08337   0.04149  -2.18189
   D236      -2.31696   0.00004   0.12618  -0.07614   0.05004  -2.26692
   D237      -0.20391   0.00021   0.13314  -0.08077   0.05238  -0.15153
   D238       1.88867  -0.00015   0.12608  -0.08054   0.04553   1.93419
   D239       1.89846  -0.00039   0.12522  -0.08067   0.04456   1.94302
   D240      -2.27168  -0.00022   0.13219  -0.08529   0.04690  -2.22478
   D241      -0.17910  -0.00057   0.12512  -0.08507   0.04005  -0.13905
   D242       3.02313  -0.00002   0.00817  -0.00908  -0.00091   3.02222
   D243      -1.18477   0.00024   0.00998  -0.00698   0.00299  -1.18177
   D244       0.94497  -0.00003   0.00823  -0.00977  -0.00154   0.94343
   D245      -1.05501   0.00000   0.00712  -0.01076  -0.00365  -1.05866
   D246       1.02027   0.00025   0.00893  -0.00866   0.00026   1.02053
   D247      -3.13317  -0.00002   0.00718  -0.01145  -0.00427  -3.13744
   D248       1.01409   0.00003   0.00808  -0.00832  -0.00023   1.01386
   D249       3.08937   0.00029   0.00989  -0.00622   0.00368   3.09305
   D250      -1.06408   0.00002   0.00814  -0.00900  -0.00085  -1.06493
   D251       0.00290   0.00000   0.00018   0.00023   0.00042   0.00331
   D252       3.13782  -0.00001   0.00482  -0.00386   0.00092   3.13874
         Item               Value     Threshold  Converged?
 Maximum Force            0.006051     0.000450     NO 
 RMS     Force            0.000767     0.000300     NO 
 Maximum Displacement     0.758920     0.001800     NO 
 RMS     Displacement     0.161162     0.001200     NO 
 Predicted change in Energy=-1.548262D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.064597   -2.716207   -0.229749
      2          6           0       -8.988272   -1.292378   -0.788153
      3          6           0      -10.059736   -0.384678   -0.175537
      4          6           0       -7.628885   -0.708006   -0.563518
      5          7           0       -6.832228   -0.208472   -1.477575
      6          6           0       -5.613184    0.270899   -0.928323
      7          6           0       -4.617265    0.853404   -1.894729
      8          7           0       -4.202584    2.238928   -1.572945
      9          6           0       -5.249134    3.266614   -1.820909
     10          6           0       -3.282979    2.532606   -0.535560
     11          8           0       -3.124951    3.679203   -0.130522
     12          7           0       -2.513620    1.458331    0.000638
     13          6           0       -1.267080    1.825963    0.717960
     14          6           0       -0.075809    1.614031   -0.236818
     15          8           0       -0.071416    0.719522   -1.075790
     16          7           0        0.968112    2.521357   -0.138521
     17          6           0        2.184955    2.380904   -0.983181
     18          6           0        2.596534    3.768261   -1.527249
     19          6           0        2.956641    4.766665   -0.462246
     20          6           0        1.971489    5.615008    0.067581
     21          6           0        2.303231    6.543271    1.057793
     22          6           0        3.617961    6.634756    1.525328
     23          6           0        4.603018    5.796254    0.994090
     24          6           0        4.277011    4.865969    0.003615
     25          6           0        3.325927    1.712840   -0.188968
     26          6           0        3.003409    0.257871    0.171244
     27          8           0        2.508669    0.308793    1.526185
     28          6           0        4.269840   -0.651466    0.227567
     29          6           0        4.969333   -0.731437   -1.140596
     30          6           0        6.291265   -1.439552   -1.051282
     31          6           0        6.401083   -2.776462   -1.463011
     32          6           0        7.630577   -3.434813   -1.381186
     33          6           0        8.755914   -2.766258   -0.888171
     34          6           0        8.647999   -1.434078   -0.476644
     35          6           0        7.421113   -0.769971   -0.556397
     36          7           0        3.863959   -1.994020    0.726685
     37          6           0        3.178642   -2.906644   -0.047731
     38          8           0        2.810443   -2.826494   -1.201683
     39          8           0        2.982750   -4.057867    0.728678
     40          6           0        2.038858   -5.030754    0.195221
     41          6           0        0.677472   -4.694756    0.667945
     42          6           0        0.290955   -4.050861    1.812200
     43          7           0       -1.100814   -3.877528    1.968908
     44          6           0       -1.777007   -4.385293    0.967600
     45         16           0       -0.731351   -5.107222   -0.270976
     46          6           0       -1.136221    0.943715    1.995653
     47          6           0       -0.831840   -0.524823    1.685167
     48          6           0       -0.090711    1.552510    2.932722
     49          6           0       -5.488045    0.129207    0.423280
     50         16           0       -6.916545   -0.617025    1.070456
     51          1           0      -10.010899   -3.194181   -0.510702
     52          1           0       -8.253610   -3.345500   -0.616506
     53          1           0       -9.006869   -2.739022    0.865213
     54          1           0       -9.160438   -1.339808   -1.901727
     55          1           0       -9.980601   -0.324423    0.916474
     56          1           0       -9.989085    0.638341   -0.566644
     57          1           0      -11.065094   -0.755716   -0.407218
     58          1           0       -3.717297    0.194394   -1.958470
     59          1           0       -5.053872    0.859969   -2.928083
     60          1           0       -5.460975    3.311388   -2.901539
     61          1           0       -4.885277    4.262889   -1.499487
     62          1           0       -6.186475    3.052604   -1.281396
     63          1           0       -2.426488    0.589879   -0.546287
     64          1           0       -1.341262    2.908489    1.031052
     65          1           0        1.016993    3.196675    0.622868
     66          1           0        1.915504    1.725928   -1.862947
     67          1           0        1.763859    4.164302   -2.150503
     68          1           0        3.440589    3.639627   -2.236086
     69          1           0        0.946707    5.559033   -0.299365
     70          1           0        1.534038    7.199521    1.463634
     71          1           0        3.874174    7.358134    2.296431
     72          1           0        5.628975    5.869458    1.351943
     73          1           0        5.051720    4.223443   -0.408336
     74          1           0        3.513722    2.272675    0.754671
     75          1           0        4.267393    1.780527   -0.769403
     76          1           0        2.223977   -0.181416   -0.495964
     77          1           0        1.679010   -0.227687    1.607709
     78          1           0        4.974792   -0.232034    0.997375
     79          1           0        4.298630   -1.238016   -1.877040
     80          1           0        5.109122    0.293704   -1.546462
     81          1           0        5.525190   -3.299945   -1.847575
     82          1           0        7.712020   -4.471948   -1.702880
     83          1           0        9.712155   -3.280849   -0.825984
     84          1           0        9.522806   -0.911422   -0.093323
     85          1           0        7.345641    0.266267   -0.236088
     86          1           0        4.141807   -2.244750    1.674226
     87          1           0        2.421277   -5.973814    0.641768
     88          1           0        2.126805   -5.058436   -0.912620
     89          1           0        0.943587   -3.670987    2.593437
     90          1           0       -2.855174   -4.381122    0.862429
     91          1           0       -2.134437    0.991229    2.508284
     92          1           0       -0.851418   -0.750710    0.608679
     93          1           0        0.153948   -0.839563    2.059546
     94          1           0       -1.569001   -1.193820    2.148748
     95          1           0       -0.068919    1.016758    3.890474
     96          1           0        0.928317    1.498907    2.520528
     97          1           0       -0.304755    2.601438    3.162141
     98          1           0       -4.662945    0.418237    1.057997
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0637339      0.0295393      0.0218180
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3552.8525792605 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.245213606106     A.U. after   19 cycles
             Convg  =    0.7919D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000017810   -0.000019894    0.000070288
      2        6          -0.000039062    0.000018536   -0.000004938
      3        6           0.000001127   -0.000123417   -0.000084071
      4        6           0.000064339   -0.000105709    0.000315833
      5        7          -0.000171164   -0.000173476   -0.000025073
      6        6          -0.000271091    0.000208011   -0.000495494
      7        6           0.000422966   -0.000111563    0.000785104
      8        7           0.000189524    0.000959865   -0.000425164
      9        6           0.000480348   -0.000380553    0.000362400
     10        6          -0.001998456   -0.001034606    0.000079183
     11        8           0.000222110    0.000425567    0.000577672
     12        7           0.001138589    0.000530534   -0.000462050
     13        6          -0.000135462    0.000362302    0.000417679
     14        6           0.000475472    0.000481971   -0.000943523
     15        8          -0.000556528   -0.000317674    0.000346460
     16        7          -0.000035268   -0.000357651    0.000185408
     17        6           0.000095555   -0.000081502    0.000083861
     18        6          -0.000077137   -0.000074453   -0.000081043
     19        6          -0.000076578    0.000033472    0.000043715
     20        6           0.000108906   -0.000097553    0.000025309
     21        6           0.000008622    0.000088770   -0.000008378
     22        6          -0.000049828   -0.000028937    0.000001524
     23        6           0.000042803   -0.000036015   -0.000000072
     24        6          -0.000041369    0.000042788   -0.000038925
     25        6          -0.000321441    0.000082443   -0.000076751
     26        6           0.000412339    0.000441189   -0.000498662
     27        8           0.001209567    0.001165188    0.001205484
     28        6           0.000666474   -0.000477941    0.000728446
     29        6           0.000402459    0.000206132   -0.000315089
     30        6          -0.000206866    0.000069114    0.000044590
     31        6           0.000033254    0.000087517   -0.000043536
     32        6          -0.000037262   -0.000077264   -0.000007320
     33        6           0.000004790    0.000056719    0.000020505
     34        6           0.000010727   -0.000034997   -0.000003547
     35        6           0.000051572   -0.000044203   -0.000029414
     36        7          -0.000118735   -0.000110655    0.000026226
     37        6          -0.002565501    0.000578657   -0.000561209
     38        8           0.001005399   -0.000446033    0.000211478
     39        8           0.000831408    0.000016305    0.000138326
     40        6           0.000135414   -0.000301465   -0.000250658
     41        6           0.000079194    0.000384576   -0.000492160
     42        6           0.000278173   -0.000083500    0.000301074
     43        7          -0.000297741   -0.000049210    0.000301443
     44        6          -0.000332643    0.000523797   -0.000590778
     45       16           0.000202091   -0.000375144    0.000347033
     46        6           0.000508586    0.000201883   -0.000274259
     47        6          -0.001379144   -0.000140812   -0.000192456
     48        6           0.000142513    0.000017658    0.000473242
     49        6           0.000143024   -0.000273020    0.000515118
     50       16          -0.000098231    0.000022184   -0.000334548
     51        1           0.000015188   -0.000001071    0.000010996
     52        1          -0.000008824    0.000047106   -0.000046014
     53        1          -0.000087174    0.000015022   -0.000046418
     54        1          -0.000006054   -0.000000601   -0.000017606
     55        1          -0.000041221    0.000006359   -0.000014050
     56        1           0.000009638    0.000033914    0.000041419
     57        1           0.000004487    0.000002170   -0.000019838
     58        1           0.000136671   -0.000159745    0.000082987
     59        1          -0.000104199    0.000025876   -0.000242257
     60        1          -0.000196331   -0.000025050    0.000041214
     61        1          -0.000054073    0.000122789   -0.000037039
     62        1          -0.000219956    0.000027983   -0.000080024
     63        1           0.000186195   -0.000780729   -0.000244950
     64        1           0.000216059    0.000035521   -0.000060604
     65        1          -0.000304305    0.000321365    0.000037013
     66        1          -0.000076034    0.000137609    0.000059249
     67        1           0.000070448    0.000045795   -0.000094654
     68        1           0.000038810    0.000007305    0.000067142
     69        1          -0.000001471   -0.000002986   -0.000015754
     70        1           0.000007214   -0.000008308    0.000008770
     71        1          -0.000002832    0.000002995    0.000001883
     72        1          -0.000002809    0.000014810    0.000005089
     73        1           0.000051033   -0.000006431   -0.000011927
     74        1          -0.000212057   -0.000310292   -0.000013997
     75        1           0.000369072    0.000101530    0.000107035
     76        1          -0.000099119    0.000037471   -0.000155876
     77        1           0.000129766   -0.000231711    0.000240949
     78        1          -0.000052352    0.000232787   -0.000067416
     79        1          -0.000053235    0.000065488    0.000018430
     80        1          -0.000112909    0.000024830    0.000046307
     81        1          -0.000005731   -0.000027527    0.000022293
     82        1           0.000011676    0.000020161    0.000004905
     83        1          -0.000001762   -0.000016262   -0.000007263
     84        1          -0.000005100    0.000010689   -0.000000828
     85        1          -0.000041730    0.000019630    0.000007666
     86        1           0.000458683   -0.000070566    0.000028942
     87        1          -0.000089444    0.000044292    0.000020864
     88        1          -0.000001670   -0.000209380    0.000220971
     89        1          -0.000082395   -0.000036657    0.000025504
     90        1          -0.000009526   -0.000003023    0.000108627
     91        1          -0.000080669   -0.000150825   -0.000114692
     92        1          -0.000166590   -0.000455022   -0.000003321
     93        1           0.000105770    0.000269298   -0.001156902
     94        1          -0.000265100   -0.000552837    0.000674578
     95        1           0.000024734    0.000038648   -0.000057790
     96        1          -0.000051794   -0.000282332   -0.000483722
     97        1           0.000008409   -0.000213668    0.000012463
     98        1           0.000016962    0.000185646   -0.000270639
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002565501 RMS     0.000363753

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.004300738 RMS     0.000680176
 Search for a local minimum.
 Step number  23 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   21   22   23
 DE=  4.49D-04 DEPred=-1.55D-05 R=-2.90D+01
 Trust test=-2.90D+01 RLast= 3.06D-01 DXMaxT set to 9.77D-01
     Eigenvalues ---    0.00085   0.00157   0.00289   0.00328   0.00436
     Eigenvalues ---    0.00517   0.00564   0.00632   0.00669   0.00721
     Eigenvalues ---    0.00800   0.00840   0.00921   0.00935   0.00949
     Eigenvalues ---    0.01019   0.01038   0.01108   0.01220   0.01231
     Eigenvalues ---    0.01271   0.01280   0.01382   0.01395   0.01409
     Eigenvalues ---    0.01441   0.01546   0.01579   0.01587   0.01640
     Eigenvalues ---    0.01719   0.01747   0.01832   0.01924   0.01926
     Eigenvalues ---    0.01977   0.02077   0.02134   0.02194   0.02202
     Eigenvalues ---    0.02203   0.02220   0.02253   0.02258   0.02269
     Eigenvalues ---    0.02290   0.02328   0.02373   0.02405   0.02408
     Eigenvalues ---    0.02413   0.02432   0.02453   0.02483   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02647   0.02700   0.02763
     Eigenvalues ---    0.03293   0.03891   0.04031   0.04110   0.04176
     Eigenvalues ---    0.04213   0.04437   0.04493   0.04594   0.04781
     Eigenvalues ---    0.04858   0.04937   0.04969   0.05026   0.05120
     Eigenvalues ---    0.05231   0.05287   0.05394   0.05442   0.05445
     Eigenvalues ---    0.05525   0.05553   0.05599   0.05707   0.05762
     Eigenvalues ---    0.05798   0.05842   0.05916   0.05948   0.05968
     Eigenvalues ---    0.06225   0.06321   0.06445   0.06624   0.06903
     Eigenvalues ---    0.07138   0.07469   0.07548   0.08021   0.08232
     Eigenvalues ---    0.08569   0.08664   0.09489   0.09832   0.10345
     Eigenvalues ---    0.11953   0.12838   0.12906   0.13116   0.13408
     Eigenvalues ---    0.13801   0.13923   0.14323   0.15687   0.15808
     Eigenvalues ---    0.15897   0.15951   0.15988   0.15997   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16003   0.16007
     Eigenvalues ---    0.16011   0.16035   0.16044   0.16065   0.16077
     Eigenvalues ---    0.16106   0.16118   0.16186   0.16609   0.16880
     Eigenvalues ---    0.17089   0.17337   0.17612   0.17976   0.18251
     Eigenvalues ---    0.18406   0.18937   0.19545   0.20208   0.21396
     Eigenvalues ---    0.21602   0.21744   0.21847   0.21860   0.22000
     Eigenvalues ---    0.22000   0.22001   0.22005   0.22152   0.22402
     Eigenvalues ---    0.22819   0.22908   0.23068   0.23446   0.23485
     Eigenvalues ---    0.23671   0.23727   0.24239   0.24366   0.24829
     Eigenvalues ---    0.24904   0.24960   0.24984   0.25003   0.25019
     Eigenvalues ---    0.25080   0.25168   0.25450   0.25855   0.29001
     Eigenvalues ---    0.29484   0.29653   0.29748   0.29879   0.30036
     Eigenvalues ---    0.30173   0.30249   0.30452   0.30727   0.30961
     Eigenvalues ---    0.31055   0.31321   0.31366   0.31434   0.31464
     Eigenvalues ---    0.31541   0.31632   0.31675   0.31811   0.31997
     Eigenvalues ---    0.32125   0.32390   0.32482   0.32550   0.32638
     Eigenvalues ---    0.32669   0.32782   0.32830   0.32942   0.32976
     Eigenvalues ---    0.33018   0.33045   0.33076   0.33176   0.33208
     Eigenvalues ---    0.33401   0.33514   0.33565   0.33589   0.33671
     Eigenvalues ---    0.33714   0.33889   0.33956   0.33989   0.34008
     Eigenvalues ---    0.34159   0.34230   0.34296   0.34342   0.34397
     Eigenvalues ---    0.34497   0.34545   0.34718   0.34806   0.35163
     Eigenvalues ---    0.35324   0.35803   0.36250   0.36313   0.36375
     Eigenvalues ---    0.36577   0.36637   0.36834   0.36947   0.37188
     Eigenvalues ---    0.37292   0.38459   0.39169   0.40117   0.41050
     Eigenvalues ---    0.41315   0.42293   0.42630   0.42698   0.43255
     Eigenvalues ---    0.43388   0.44023   0.44269   0.44959   0.45136
     Eigenvalues ---    0.46260   0.47579   0.48206   0.48369   0.48570
     Eigenvalues ---    0.48611   0.48948   0.49416   0.49977   0.50292
     Eigenvalues ---    0.50926   0.51242   0.51393   0.56327   0.56871
     Eigenvalues ---    0.58341   0.59392   0.62519   0.65191   0.76218
     Eigenvalues ---    0.78220   0.83731   1.001701000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    23   22   21   20   19
 RFO step:  Lambda=-3.84815220D-04.
 DIIS coeffs:      0.60594      0.64591     -0.23735      0.38932     -0.40382
 Iteration  1 RMS(Cart)=  0.13714575 RMS(Int)=  0.00248585
 Iteration  2 RMS(Cart)=  0.00524941 RMS(Int)=  0.00002297
 Iteration  3 RMS(Cart)=  0.00001352 RMS(Int)=  0.00002145
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002145
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89377   0.00002   0.00079   0.00000   0.00079   2.89456
    R2        2.07257   0.00001  -0.00043   0.00024  -0.00020   2.07238
    R3        2.07293   0.00002  -0.00002   0.00012   0.00010   2.07303
    R4        2.07250  -0.00006   0.00002  -0.00032  -0.00030   2.07220
    R5        2.89520   0.00001  -0.00078  -0.00019  -0.00097   2.89423
    R6        2.82821  -0.00013   0.00053  -0.00052   0.00001   2.82822
    R7        2.13124   0.00001   0.00010  -0.00016  -0.00006   2.13118
    R8        2.07214  -0.00002   0.00009  -0.00033  -0.00024   2.07190
    R9        2.07399  -0.00005  -0.00005  -0.00006  -0.00012   2.07387
   R10        2.07189   0.00000   0.00018   0.00004   0.00022   2.07211
   R11        2.47813   0.00008   0.00002   0.00002   0.00004   2.47817
   R12        3.37282  -0.00014   0.00022   0.00015   0.00037   3.37319
   R13        2.68417  -0.00028   0.00012  -0.00043  -0.00031   2.68386
   R14        2.84409  -0.00061   0.00140  -0.00136   0.00004   2.84413
   R15        2.57902   0.00010  -0.00028   0.00014  -0.00015   2.57887
   R16        2.79985  -0.00026  -0.00115   0.00069  -0.00046   2.79939
   R17        2.11134  -0.00012   0.00014  -0.00068  -0.00053   2.11081
   R18        2.11994   0.00017  -0.00005   0.00020   0.00015   2.12009
   R19        2.81112  -0.00012  -0.00083   0.00011  -0.00073   2.81039
   R20        2.67787   0.00030  -0.00130  -0.00131  -0.00261   2.67526
   R21        2.08268  -0.00004   0.00047  -0.00020   0.00027   2.08296
   R22        2.09433  -0.00010   0.00025  -0.00018   0.00008   2.09441
   R23        2.08340  -0.00022   0.00024  -0.00025  -0.00001   2.08339
   R24        2.31730  -0.00054   0.00096  -0.00113  -0.00017   2.31713
   R25        2.69476  -0.00156  -0.00196  -0.00006  -0.00202   2.69273
   R26        2.80519  -0.00059  -0.00042  -0.00264  -0.00306   2.80213
   R27        1.94644  -0.00080  -0.00149   0.00109  -0.00040   1.94604
   R28        2.91266  -0.00123   0.00066  -0.00040   0.00026   2.91292
   R29        2.94457  -0.00083   0.00252  -0.00068   0.00184   2.94641
   R30        2.13413   0.00009  -0.00032   0.00011  -0.00021   2.13392
   R31        2.31755  -0.00009   0.00061  -0.00060   0.00001   2.31756
   R32        2.62030  -0.00219  -0.00012   0.00093   0.00080   2.62111
   R33        2.81175  -0.00191  -0.00020   0.00083   0.00063   2.81238
   R34        1.92544  -0.00040   0.00058   0.00014   0.00072   1.92616
   R35        2.92155   0.00009  -0.00076   0.00014  -0.00062   2.92093
   R36        2.91465  -0.00087   0.00127  -0.00135  -0.00009   2.91457
   R37        2.13429   0.00013   0.00019  -0.00036  -0.00018   2.13411
   R38        2.84133   0.00001   0.00015   0.00009   0.00024   2.84157
   R39        2.10316   0.00012  -0.00052   0.00056   0.00004   2.10320
   R40        2.09702  -0.00006   0.00068  -0.00060   0.00008   2.09710
   R41        2.65298   0.00011  -0.00017   0.00010  -0.00007   2.65291
   R42        2.65253  -0.00004  -0.00006  -0.00007  -0.00013   2.65240
   R43        2.64038  -0.00005   0.00003   0.00010   0.00013   2.64051
   R44        2.05968   0.00000  -0.00018   0.00003  -0.00016   2.05952
   R45        2.64256   0.00004  -0.00009  -0.00004  -0.00013   2.64243
   R46        2.05887   0.00001  -0.00002  -0.00003  -0.00005   2.05882
   R47        2.64267  -0.00003   0.00001   0.00008   0.00008   2.64275
   R48        2.05583   0.00000   0.00005   0.00000   0.00004   2.05587
   R49        2.64072   0.00002  -0.00011   0.00005  -0.00006   2.64066
   R50        2.05798  -0.00001   0.00002   0.00009   0.00012   2.05810
   R51        2.05513  -0.00005   0.00017   0.00002   0.00019   2.05532
   R52        2.89733   0.00155   0.00049   0.00132   0.00182   2.89915
   R53        2.10358   0.00024   0.00031   0.00176   0.00207   2.10565
   R54        2.09397  -0.00038  -0.00024  -0.00126  -0.00150   2.09247
   R55        2.72751   0.00129   0.00111  -0.00055   0.00056   2.72807
   R56        2.94816  -0.00005  -0.00242   0.00098  -0.00143   2.94673
   R57        2.10910   0.00002   0.00053   0.00035   0.00088   2.10998
   R58        1.87340   0.00004   0.00393   0.00225   0.00618   1.87958
   R59        2.90770   0.00027  -0.00160   0.00124  -0.00036   2.90734
   R60        2.81329  -0.00023   0.00054  -0.00217  -0.00163   2.81166
   R61        2.12582  -0.00021   0.00080  -0.00043   0.00037   2.12620
   R62        2.83894   0.00018  -0.00004   0.00066   0.00062   2.83956
   R63        2.11178   0.00005   0.00124   0.00043   0.00167   2.11344
   R64        2.10022  -0.00006  -0.00051  -0.00031  -0.00082   2.09940
   R65        2.65162   0.00001  -0.00006   0.00032   0.00026   2.65188
   R66        2.65223   0.00002   0.00010  -0.00014  -0.00004   2.65219
   R67        2.64006   0.00002  -0.00015  -0.00008  -0.00023   2.63983
   R68        2.06068  -0.00002   0.00076   0.00035   0.00112   2.06180
   R69        2.64319  -0.00002   0.00004   0.00015   0.00019   2.64338
   R70        2.05778   0.00001  -0.00017   0.00005  -0.00012   2.05766
   R71        2.64272   0.00002   0.00000  -0.00006  -0.00006   2.64265
   R72        2.05544   0.00000  -0.00014  -0.00002  -0.00017   2.05527
   R73        2.64065   0.00000  -0.00019   0.00024   0.00005   2.64070
   R74        2.05745  -0.00001  -0.00009  -0.00002  -0.00011   2.05734
   R75        2.05458  -0.00004  -0.00005  -0.00019  -0.00024   2.05434
   R76        2.60636  -0.00007   0.00034  -0.00079  -0.00045   2.60591
   R77        1.92520   0.00000   0.00056   0.00047   0.00103   1.92623
   R78        2.29398  -0.00036   0.00031  -0.00067  -0.00036   2.29362
   R79        2.65000   0.00009   0.00094  -0.00001   0.00093   2.65093
   R80        2.75279  -0.00014  -0.00015  -0.00094  -0.00109   2.75170
   R81        2.79637  -0.00016  -0.00046   0.00010  -0.00036   2.79601
   R82        2.10007   0.00007  -0.00059   0.00094   0.00035   2.10042
   R83        2.10075  -0.00029  -0.00012  -0.00021  -0.00033   2.10042
   R84        2.58645   0.00010   0.00012   0.00055   0.00067   2.58713
   R85        3.29294  -0.00022  -0.00055  -0.00071  -0.00126   3.29168
   R86        2.66687  -0.00015  -0.00078  -0.00027  -0.00105   2.66583
   R87        2.05326   0.00006   0.00002  -0.00010  -0.00008   2.05318
   R88        2.47668   0.00030   0.00067   0.00038   0.00105   2.47773
   R89        3.35321  -0.00058  -0.00140  -0.00097  -0.00237   3.35084
   R90        2.04713  -0.00001  -0.00009   0.00002  -0.00007   2.04706
   R91        2.89422  -0.00002   0.00042   0.00009   0.00051   2.89473
   R92        2.89185   0.00035   0.00039   0.00079   0.00118   2.89303
   R93        2.12246  -0.00012   0.00006  -0.00018  -0.00012   2.12234
   R94        2.07890  -0.00030   0.00150  -0.00129   0.00021   2.07911
   R95        2.07956  -0.00065   0.00354  -0.00196   0.00158   2.08113
   R96        2.07515   0.00014   0.00064  -0.00046   0.00019   2.07533
   R97        2.07422  -0.00006   0.00027  -0.00028   0.00000   2.07422
   R98        2.07973   0.00022  -0.00018   0.00114   0.00097   2.08069
   R99        2.06897   0.00015   0.00005   0.00050   0.00055   2.06952
   R100       3.28199  -0.00028   0.00048  -0.00050  -0.00003   3.28196
   R101       2.04160  -0.00023  -0.00041   0.00036  -0.00005   2.04155
    A1        1.93350   0.00001   0.00002   0.00021   0.00023   1.93374
    A2        1.94764  -0.00005  -0.00027  -0.00046  -0.00073   1.94691
    A3        1.96145   0.00002  -0.00108   0.00016  -0.00092   1.96053
    A4        1.87294   0.00000   0.00040  -0.00081  -0.00041   1.87253
    A5        1.86722   0.00001   0.00168   0.00043   0.00210   1.86932
    A6        1.87671   0.00001  -0.00062   0.00046  -0.00016   1.87655
    A7        1.95003   0.00016   0.00050   0.00009   0.00059   1.95063
    A8        1.93220  -0.00001  -0.00429  -0.00052  -0.00480   1.92740
    A9        1.88951  -0.00006   0.00101  -0.00045   0.00056   1.89007
   A10        1.92184  -0.00016   0.00356  -0.00035   0.00321   1.92505
   A11        1.88912   0.00000  -0.00088   0.00042  -0.00045   1.88866
   A12        1.87893   0.00007   0.00010   0.00086   0.00096   1.87989
   A13        1.96091  -0.00005   0.00153  -0.00074   0.00079   1.96170
   A14        1.94415   0.00002   0.00045   0.00024   0.00068   1.94483
   A15        1.93509   0.00001  -0.00041  -0.00027  -0.00069   1.93440
   A16        1.87447   0.00001  -0.00034   0.00048   0.00013   1.87460
   A17        1.87047   0.00003  -0.00125   0.00120  -0.00005   1.87042
   A18        1.87462  -0.00002  -0.00009  -0.00085  -0.00094   1.87368
   A19        2.20919  -0.00004   0.00121  -0.00031   0.00089   2.21008
   A20        2.11744  -0.00001  -0.00106   0.00013  -0.00093   2.11651
   A21        1.95653   0.00005  -0.00011   0.00016   0.00005   1.95658
   A22        1.96103  -0.00010   0.00021  -0.00033  -0.00013   1.96091
   A23        2.03783   0.00031  -0.00101   0.00192   0.00091   2.03875
   A24        2.01154   0.00007  -0.00011   0.00030   0.00020   2.01174
   A25        2.23374  -0.00038   0.00112  -0.00223  -0.00111   2.23263
   A26        1.99072  -0.00027  -0.00115  -0.00019  -0.00134   1.98938
   A27        1.91917  -0.00006   0.00164  -0.00206  -0.00043   1.91874
   A28        1.91368   0.00034  -0.00211   0.00299   0.00088   1.91456
   A29        1.91615   0.00001   0.00040  -0.00084  -0.00044   1.91571
   A30        1.87918   0.00000   0.00140  -0.00114   0.00025   1.87943
   A31        1.83838   0.00001  -0.00013   0.00145   0.00131   1.83968
   A32        1.99647   0.00047   0.00170  -0.00344  -0.00187   1.99459
   A33        2.13462  -0.00070   0.00313  -0.00351  -0.00048   2.13414
   A34        2.02129   0.00013   0.00434  -0.00267   0.00156   2.02284
   A35        1.90364  -0.00029  -0.00058  -0.00131  -0.00189   1.90176
   A36        1.91954   0.00006   0.00224   0.00020   0.00243   1.92197
   A37        1.96326  -0.00001  -0.00095   0.00001  -0.00095   1.96231
   A38        1.88699   0.00003  -0.00051  -0.00076  -0.00127   1.88572
   A39        1.90105   0.00014   0.00026  -0.00026  -0.00001   1.90104
   A40        1.88778   0.00009  -0.00045   0.00211   0.00166   1.88944
   A41        2.11673   0.00045  -0.00133   0.00374   0.00240   2.11913
   A42        2.05925  -0.00073   0.00098  -0.00182  -0.00084   2.05841
   A43        2.10677   0.00030   0.00045  -0.00181  -0.00136   2.10541
   A44        2.03553  -0.00018   0.00376  -0.00497  -0.00105   2.03448
   A45        2.07278   0.00007   0.00598  -0.00538   0.00077   2.07354
   A46        1.97617  -0.00001   0.00368  -0.00284   0.00104   1.97721
   A47        1.89192   0.00049  -0.00009  -0.00029  -0.00039   1.89154
   A48        1.90343   0.00316   0.00226   0.00090   0.00316   1.90659
   A49        1.89252  -0.00099   0.00017  -0.00253  -0.00235   1.89017
   A50        1.94463  -0.00430  -0.00473   0.00320  -0.00154   1.94309
   A51        1.93297   0.00188   0.00225   0.00019   0.00244   1.93541
   A52        1.89750  -0.00014   0.00027  -0.00160  -0.00132   1.89618
   A53        2.12566   0.00058   0.00001   0.00187   0.00189   2.12756
   A54        2.03532  -0.00019   0.00067  -0.00298  -0.00230   2.03302
   A55        2.12125  -0.00028  -0.00049   0.00113   0.00065   2.12190
   A56        2.11028  -0.00159  -0.00149   0.00375   0.00228   2.11256
   A57        2.12092   0.00059  -0.00069  -0.00213  -0.00279   2.11812
   A58        2.03481   0.00058   0.00046  -0.00255  -0.00206   2.03275
   A59        1.91005   0.00091   0.00155  -0.00245  -0.00090   1.90915
   A60        1.93216  -0.00405  -0.00091   0.00069  -0.00022   1.93195
   A61        1.87741   0.00132  -0.00044  -0.00017  -0.00061   1.87680
   A62        1.95300   0.00317   0.00107   0.00143   0.00250   1.95550
   A63        1.88577  -0.00087  -0.00065   0.00077   0.00011   1.88589
   A64        1.90330  -0.00047  -0.00069  -0.00031  -0.00100   1.90230
   A65        1.99366  -0.00005   0.00134  -0.00007   0.00127   1.99493
   A66        1.89360   0.00002   0.00038  -0.00063  -0.00025   1.89335
   A67        1.89997  -0.00001  -0.00033   0.00012  -0.00021   1.89976
   A68        1.91724   0.00001   0.00048  -0.00022   0.00026   1.91750
   A69        1.92544   0.00003  -0.00174   0.00024  -0.00151   1.92393
   A70        1.82617   0.00000  -0.00023   0.00061   0.00037   1.82654
   A71        2.09498   0.00005  -0.00004  -0.00041  -0.00045   2.09453
   A72        2.10290  -0.00004   0.00024   0.00017   0.00041   2.10332
   A73        2.08528  -0.00001  -0.00021   0.00024   0.00003   2.08531
   A74        2.09706  -0.00001   0.00020  -0.00019   0.00001   2.09707
   A75        2.09635   0.00001   0.00026   0.00017   0.00042   2.09677
   A76        2.08972   0.00000  -0.00045   0.00002  -0.00043   2.08929
   A77        2.09860   0.00001  -0.00010   0.00005  -0.00006   2.09854
   A78        2.09040   0.00000  -0.00001   0.00002   0.00000   2.09040
   A79        2.09419  -0.00001   0.00012  -0.00006   0.00005   2.09424
   A80        2.08981   0.00000   0.00000   0.00002   0.00001   2.08982
   A81        2.09660   0.00000  -0.00009   0.00012   0.00002   2.09662
   A82        2.09677   0.00000   0.00009  -0.00013  -0.00004   2.09673
   A83        2.09912   0.00001  -0.00004   0.00005   0.00000   2.09913
   A84        2.09262   0.00001  -0.00013   0.00000  -0.00012   2.09250
   A85        2.09144  -0.00002   0.00017  -0.00005   0.00012   2.09156
   A86        2.09646   0.00001   0.00016  -0.00016   0.00000   2.09646
   A87        2.09737  -0.00002   0.00011  -0.00014  -0.00003   2.09734
   A88        2.08934   0.00001  -0.00026   0.00030   0.00003   2.08937
   A89        1.95671  -0.00352   0.00102  -0.00242  -0.00141   1.95530
   A90        1.92141   0.00054  -0.00112   0.00059  -0.00052   1.92089
   A91        1.90957   0.00160   0.00147   0.00005   0.00151   1.91108
   A92        1.88976   0.00165  -0.00222   0.00058  -0.00163   1.88814
   A93        1.93881   0.00053   0.00041   0.00238   0.00279   1.94160
   A94        1.84418  -0.00061   0.00032  -0.00108  -0.00076   1.84342
   A95        1.83297   0.00179  -0.00235   0.00006  -0.00229   1.83067
   A96        1.97235  -0.00153  -0.00069   0.00093   0.00025   1.97260
   A97        1.96056  -0.00022   0.00069   0.00161   0.00229   1.96285
   A98        1.83892  -0.00012   0.00101   0.00067   0.00168   1.84061
   A99        1.91315  -0.00076  -0.00127  -0.00092  -0.00221   1.91094
   A100       1.93807   0.00087   0.00231  -0.00233  -0.00003   1.93804
   A101       1.92300   0.00067   0.00090  -0.00294  -0.00205   1.92096
   A102       1.94682  -0.00043   0.00084  -0.00178  -0.00093   1.94589
   A103       1.89276   0.00130   0.00060  -0.00327  -0.00267   1.89009
   A104       1.89239  -0.00033  -0.00296   0.00346   0.00049   1.89288
   A105       1.95539  -0.00090   0.00393  -0.00033   0.00362   1.95900
   A106       1.92087   0.00040  -0.00121   0.00145   0.00025   1.92112
   A107       1.85216   0.00000  -0.00152   0.00067  -0.00085   1.85130
   A108       1.95159   0.00010   0.00077   0.00089   0.00166   1.95325
   A109       1.91420  -0.00001   0.00059  -0.00055   0.00004   1.91424
   A110       1.91129   0.00005  -0.00024   0.00127   0.00103   1.91232
   A111       1.93224  -0.00009  -0.00106  -0.00171  -0.00277   1.92948
   A112       1.92390  -0.00009   0.00003  -0.00043  -0.00041   1.92349
   A113       1.82654   0.00003  -0.00015   0.00052   0.00037   1.82691
   A114       2.09499   0.00000  -0.00033  -0.00060  -0.00093   2.09406
   A115       2.09955  -0.00002   0.00056   0.00028   0.00084   2.10040
   A116       2.08864   0.00002  -0.00023   0.00032   0.00009   2.08873
   A117       2.09518  -0.00003   0.00025  -0.00021   0.00004   2.09521
   A118       2.09209   0.00002  -0.00076  -0.00043  -0.00119   2.09090
   A119       2.09592   0.00001   0.00051   0.00065   0.00115   2.09708
   A120       2.09839   0.00002  -0.00015   0.00003  -0.00012   2.09826
   A121       2.09133  -0.00003   0.00019   0.00001   0.00020   2.09153
   A122       2.09347   0.00001  -0.00004  -0.00004  -0.00008   2.09339
   A123       2.09089   0.00000   0.00004   0.00005   0.00008   2.09097
   A124       2.09594   0.00002  -0.00012   0.00006  -0.00006   2.09588
   A125       2.09636  -0.00002   0.00008  -0.00010  -0.00002   2.09633
   A126       2.09866   0.00000  -0.00002   0.00009   0.00007   2.09872
   A127       2.09312  -0.00001   0.00004  -0.00015  -0.00012   2.09300
   A128       2.09141   0.00001  -0.00001   0.00006   0.00005   2.09146
   A129       2.09462  -0.00001   0.00012  -0.00027  -0.00016   2.09447
   A130       2.09752   0.00003  -0.00048   0.00046  -0.00002   2.09749
   A131       2.09104  -0.00002   0.00037  -0.00019   0.00018   2.09122
   A132       2.14593  -0.00099   0.00598  -0.00123   0.00458   2.15051
   A133       2.04813   0.00049  -0.00300   0.00034  -0.00282   2.04531
   A134       2.08851   0.00049  -0.00222   0.00120  -0.00119   2.08732
   A135       2.26630  -0.00042   0.00367   0.00050   0.00417   2.27047
   A136       1.87732   0.00054  -0.00114  -0.00141  -0.00256   1.87477
   A137       2.13903  -0.00011  -0.00256   0.00123  -0.00134   2.13769
   A138       2.02199  -0.00039   0.00069   0.00014   0.00082   2.02281
   A139       1.90444   0.00166   0.00167  -0.00072   0.00095   1.90539
   A140       1.76871  -0.00039   0.00000   0.00127   0.00126   1.76998
   A141       1.90743  -0.00074  -0.00058   0.00053  -0.00004   1.90739
   A142       1.96157  -0.00037  -0.00215   0.00101  -0.00114   1.96043
   A143       1.97882  -0.00020   0.00120   0.00035   0.00155   1.98037
   A144       1.93059   0.00005  -0.00022  -0.00233  -0.00255   1.92804
   A145       2.25712   0.00035  -0.00117  -0.00047  -0.00164   2.25548
   A146       2.11522  -0.00044   0.00154   0.00034   0.00188   2.11710
   A147       1.91082   0.00010  -0.00036   0.00013  -0.00022   1.91060
   A148       2.01431  -0.00022   0.00036  -0.00047  -0.00011   2.01420
   A149       2.20926   0.00004  -0.00016  -0.00029  -0.00045   2.20881
   A150       2.05961   0.00018  -0.00020   0.00077   0.00056   2.06017
   A151       1.95670   0.00007  -0.00043   0.00014  -0.00029   1.95641
   A152       1.96803  -0.00003   0.00014  -0.00006   0.00009   1.96812
   A153       2.19713  -0.00002  -0.00100  -0.00044  -0.00143   2.19570
   A154       2.11800   0.00005   0.00086   0.00049   0.00136   2.11936
   A155       1.57482   0.00009   0.00032   0.00024   0.00055   1.57537
   A156       1.97508  -0.00041   0.00055   0.00070   0.00124   1.97632
   A157       1.91159  -0.00027   0.00084  -0.00182  -0.00098   1.91061
   A158       1.85008   0.00058   0.00052   0.00046   0.00098   1.85106
   A159       1.94961  -0.00025  -0.00169  -0.00155  -0.00323   1.94638
   A160       1.88570   0.00075   0.00025  -0.00021   0.00004   1.88573
   A161       1.88692  -0.00032  -0.00040   0.00269   0.00229   1.88922
   A162       1.97330  -0.00016  -0.00029  -0.00332  -0.00362   1.96967
   A163       1.96417  -0.00040   0.00012   0.00026   0.00039   1.96456
   A164       1.94460   0.00030   0.00024  -0.00070  -0.00045   1.94415
   A165       1.86514  -0.00018  -0.00341   0.00024  -0.00318   1.86196
   A166       1.85049   0.00038  -0.00255   0.00839   0.00585   1.85633
   A167       1.85822   0.00009   0.00598  -0.00449   0.00149   1.85971
   A168       1.93231  -0.00005  -0.00029   0.00054   0.00026   1.93257
   A169       1.96479   0.00015  -0.00040  -0.00106  -0.00146   1.96333
   A170       1.95615   0.00012   0.00052   0.00050   0.00103   1.95717
   A171       1.85944   0.00010  -0.00151   0.00340   0.00190   1.86133
   A172       1.86363  -0.00007   0.00001  -0.00096  -0.00095   1.86268
   A173       1.88196  -0.00027   0.00162  -0.00235  -0.00072   1.88123
   A174       1.91584  -0.00001   0.00012  -0.00005   0.00006   1.91590
   A175       2.24476  -0.00023   0.00164  -0.00173  -0.00009   2.24467
   A176       2.12257   0.00025  -0.00176   0.00178   0.00002   2.12258
   A177       1.57983   0.00000  -0.00011  -0.00008  -0.00019   1.57964
    D1        1.12544   0.00004   0.01740  -0.00624   0.01115   1.13659
    D2       -3.00891  -0.00006   0.01925  -0.00700   0.01225  -2.99666
    D3       -0.95318  -0.00002   0.01752  -0.00653   0.01100  -0.94218
    D4       -3.07202   0.00002   0.01774  -0.00742   0.01031  -3.06170
    D5       -0.92317  -0.00008   0.01959  -0.00818   0.01141  -0.91177
    D6        1.13255  -0.00004   0.01787  -0.00771   0.01016   1.14271
    D7       -0.96224   0.00000   0.01598  -0.00704   0.00894  -0.95330
    D8        1.18660  -0.00010   0.01783  -0.00780   0.01003   1.19663
    D9       -3.04086  -0.00005   0.01610  -0.00732   0.00878  -3.03207
   D10        1.02054   0.00000  -0.00330  -0.00574  -0.00904   1.01150
   D11        3.12456  -0.00001  -0.00236  -0.00548  -0.00784   3.11673
   D12       -1.07201  -0.00001  -0.00245  -0.00658  -0.00903  -1.08104
   D13       -1.13417   0.00001  -0.00071  -0.00489  -0.00560  -1.13977
   D14        0.96985   0.00000   0.00024  -0.00462  -0.00439   0.96546
   D15        3.05646   0.00000   0.00014  -0.00573  -0.00558   3.05087
   D16        3.09939   0.00002  -0.00231  -0.00598  -0.00829   3.09110
   D17       -1.07977   0.00001  -0.00137  -0.00571  -0.00708  -1.08686
   D18        1.00684   0.00001  -0.00146  -0.00682  -0.00828   0.99856
   D19        2.17692  -0.00006  -0.07756  -0.01605  -0.09361   2.08331
   D20       -0.97208  -0.00012  -0.07135  -0.02023  -0.09157  -1.06365
   D21       -1.94120   0.00003  -0.07740  -0.01655  -0.09395  -2.03515
   D22        1.19300  -0.00003  -0.07118  -0.02072  -0.09191   1.10109
   D23        0.11473  -0.00002  -0.07642  -0.01573  -0.09216   0.02258
   D24       -3.03426  -0.00008  -0.07021  -0.01991  -0.09012  -3.12438
   D25        3.13639  -0.00004   0.00507  -0.00201   0.00306   3.13946
   D26        0.00162   0.00001  -0.00065   0.00184   0.00118   0.00281
   D27       -3.13807   0.00004  -0.00474   0.00214  -0.00260  -3.14067
   D28       -0.00289  -0.00001   0.00065  -0.00148  -0.00083  -0.00372
   D29        3.13075   0.00000   0.00098  -0.00207  -0.00108   3.12966
   D30        0.00101  -0.00001   0.00031  -0.00137  -0.00106  -0.00005
   D31        2.16466   0.00011  -0.01607   0.00829  -0.00777   2.15689
   D32       -1.95746  -0.00012  -0.01509   0.00543  -0.00967  -1.96713
   D33        0.05598   0.00005  -0.01554   0.00771  -0.00783   0.04815
   D34       -0.99054   0.00013  -0.01530   0.00751  -0.00779  -0.99833
   D35        1.17052  -0.00011  -0.01433   0.00465  -0.00968   1.16084
   D36       -3.09922   0.00006  -0.01477   0.00693  -0.00784  -3.10707
   D37       -0.00317   0.00001   0.00019   0.00020   0.00040  -0.00277
   D38       -3.13804   0.00003   0.00244  -0.00010   0.00234  -3.13570
   D39       -3.13133  -0.00001  -0.00056   0.00096   0.00040  -3.13092
   D40        0.01699   0.00001   0.00169   0.00066   0.00235   0.01934
   D41       -1.25350  -0.00013  -0.01966   0.01479  -0.00488  -1.25838
   D42        1.33765  -0.00026  -0.00143  -0.00453  -0.00595   1.33170
   D43        2.86700   0.00014  -0.02130   0.01831  -0.00300   2.86400
   D44       -0.82504   0.00001  -0.00307  -0.00101  -0.00407  -0.82910
   D45        0.87430   0.00012  -0.02209   0.01765  -0.00445   0.86985
   D46       -2.81774   0.00000  -0.00386  -0.00167  -0.00552  -2.82326
   D47       -1.13459  -0.00024  -0.03439  -0.01786  -0.05226  -1.18686
   D48        3.08194  -0.00013  -0.03474  -0.01627  -0.05102   3.03092
   D49        0.97657  -0.00027  -0.03509  -0.01909  -0.05419   0.92238
   D50        2.52035   0.00016  -0.05109   0.00040  -0.05068   2.46967
   D51        0.45369   0.00027  -0.05144   0.00200  -0.04943   0.40426
   D52       -1.65167   0.00013  -0.05178  -0.00083  -0.05260  -1.70428
   D53       -2.92014   0.00034  -0.00297   0.00404   0.00104  -2.91910
   D54        0.25305  -0.00025  -0.00710   0.00002  -0.00712   0.24594
   D55       -0.33618   0.00031   0.01466  -0.01576  -0.00105  -0.33723
   D56        2.83701  -0.00028   0.01054  -0.01977  -0.00921   2.82780
   D57        2.78487   0.00031  -0.00298   0.00886   0.00583   2.79070
   D58        0.32194   0.00048  -0.02530   0.02957   0.00431   0.32625
   D59       -0.32531  -0.00028  -0.00707   0.00477  -0.00234  -0.32765
   D60       -2.78824  -0.00010  -0.02939   0.02547  -0.00386  -2.79210
   D61       -1.74400  -0.00155  -0.02614   0.01598  -0.01015  -1.75416
   D62        2.41908   0.00148  -0.02167   0.01172  -0.00995   2.40913
   D63        0.35555   0.00042  -0.02338   0.01458  -0.00880   0.34674
   D64        0.75554  -0.00168  -0.00424  -0.00452  -0.00877   0.74677
   D65       -1.36456   0.00135   0.00022  -0.00877  -0.00856  -1.37312
   D66        2.85509   0.00029  -0.00149  -0.00592  -0.00741   2.84767
   D67       -0.58031  -0.00037  -0.01361  -0.01360  -0.02720  -0.60751
   D68        2.51487   0.00241  -0.00795  -0.01280  -0.02075   2.49412
   D69        1.51425   0.00123  -0.01376  -0.01072  -0.02448   1.48977
   D70       -1.67375   0.00401  -0.00810  -0.00993  -0.01803  -1.69179
   D71       -2.65448  -0.00058  -0.01508  -0.01044  -0.02553  -2.68001
   D72        0.44070   0.00221  -0.00942  -0.00965  -0.01908   0.42162
   D73        1.22201   0.00115   0.00242  -0.00246  -0.00004   1.22197
   D74       -2.87347   0.00030   0.00126  -0.00539  -0.00412  -2.87760
   D75       -0.84166   0.00010   0.00149  -0.00289  -0.00140  -0.84306
   D76       -0.86575   0.00116   0.00401  -0.00467  -0.00065  -0.86639
   D77        1.32196   0.00031   0.00286  -0.00759  -0.00474   1.31723
   D78       -2.92941   0.00011   0.00308  -0.00509  -0.00201  -2.93142
   D79       -3.00077   0.00168   0.00408  -0.00590  -0.00182  -3.00259
   D80       -0.81306   0.00083   0.00292  -0.00883  -0.00591  -0.81898
   D81        1.21874   0.00063   0.00315  -0.00633  -0.00318   1.21556
   D82        3.10658  -0.00328  -0.01963   0.00462  -0.01501   3.09157
   D83        0.16987  -0.00085  -0.01049   0.01036  -0.00013   0.16974
   D84       -0.08130  -0.00048  -0.01398   0.00543  -0.00855  -0.08985
   D85       -3.01801   0.00195  -0.00484   0.01117   0.00633  -3.01168
   D86        2.39112   0.00200   0.06530   0.01009   0.07538   2.46650
   D87       -1.73146   0.00389   0.06710   0.01067   0.07777  -1.65369
   D88        0.34647   0.00180   0.06548   0.01059   0.07607   0.42254
   D89       -0.94566  -0.00031   0.05647   0.00462   0.06109  -0.88457
   D90        1.21495   0.00159   0.05827   0.00521   0.06348   1.27843
   D91       -2.99031  -0.00050   0.05666   0.00512   0.06178  -2.92853
   D92        1.07979  -0.00132  -0.01280   0.00702  -0.00577   1.07401
   D93       -1.06521  -0.00131  -0.01462   0.00782  -0.00680  -1.07201
   D94       -3.04289  -0.00131  -0.01438   0.00738  -0.00700  -3.04989
   D95       -1.06851   0.00104  -0.01346   0.00690  -0.00656  -1.07507
   D96        3.06967   0.00104  -0.01529   0.00770  -0.00759   3.06209
   D97        1.09199   0.00104  -0.01504   0.00726  -0.00779   1.08421
   D98        3.11916   0.00026  -0.01284   0.00592  -0.00692   3.11224
   D99        0.97416   0.00027  -0.01467   0.00672  -0.00795   0.96621
   D100      -1.00352   0.00026  -0.01442   0.00627  -0.00815  -1.01167
   D101       1.15644   0.00012  -0.01153   0.00621  -0.00532   1.15112
   D102      -0.94838   0.00000  -0.00864   0.00668  -0.00196  -0.95034
   D103      -2.96774  -0.00048  -0.00924   0.00762  -0.00162  -2.96935
   D104      -2.99102   0.00062  -0.00945   0.00456  -0.00488  -2.99590
   D105       1.18735   0.00050  -0.00655   0.00503  -0.00152   1.18583
   D106      -0.83200   0.00002  -0.00715   0.00597  -0.00118  -0.83318
   D107      -0.90579   0.00121  -0.01004   0.00621  -0.00384  -0.90963
   D108      -3.01060   0.00109  -0.00715   0.00667  -0.00048  -3.01108
   D109       1.25323   0.00060  -0.00775   0.00761  -0.00014   1.25309
   D110      -1.59264   0.00001  -0.01783  -0.00122  -0.01906  -1.61170
   D111       1.55668   0.00001  -0.01778  -0.00075  -0.01853   1.53816
   D112       0.53947   0.00001  -0.01602  -0.00226  -0.01828   0.52118
   D113      -2.59439   0.00001  -0.01597  -0.00178  -0.01775  -2.61215
   D114       2.54378   0.00004  -0.01703  -0.00151  -0.01854   2.52524
   D115      -0.59008   0.00004  -0.01697  -0.00104  -0.01801  -0.60809
   D116       3.14106  -0.00001   0.00007   0.00063   0.00070  -3.14143
   D117      -0.01151  -0.00001   0.00031   0.00050   0.00081  -0.01070
   D118      -0.00819  -0.00001   0.00002   0.00016   0.00018  -0.00802
   D119       3.12243  -0.00001   0.00026   0.00003   0.00029   3.12272
   D120      -3.14112   0.00001  -0.00005  -0.00036  -0.00041  -3.14154
   D121       0.00643   0.00001  -0.00061  -0.00025  -0.00086   0.00557
   D122       0.00816   0.00001   0.00000   0.00012   0.00012   0.00828
   D123      -3.12747   0.00000  -0.00056   0.00023  -0.00033  -3.12780
   D124       0.00196   0.00000   0.00000  -0.00022  -0.00023   0.00173
   D125       3.14014   0.00001   0.00026  -0.00031  -0.00005   3.14009
   D126      -3.12871   0.00000  -0.00024  -0.00010  -0.00034  -3.12905
   D127       0.00948   0.00001   0.00002  -0.00018  -0.00016   0.00931
   D128       0.00435   0.00000  -0.00003   0.00001  -0.00002   0.00433
   D129      -3.14151   0.00000   0.00033  -0.00010   0.00023  -3.14128
   D130      -3.13383   0.00000  -0.00029   0.00010  -0.00019  -3.13402
   D131       0.00350   0.00000   0.00007  -0.00001   0.00005   0.00356
   D132      -0.00438   0.00000   0.00005   0.00026   0.00031  -0.00407
   D133       3.13508   0.00000   0.00030   0.00040   0.00069   3.13578
   D134       3.14148   0.00000  -0.00031   0.00037   0.00006   3.14154
   D135      -0.00225   0.00000  -0.00006   0.00051   0.00045  -0.00180
   D136      -0.00190   0.00000  -0.00004  -0.00032  -0.00036  -0.00226
   D137       3.13376   0.00000   0.00052  -0.00044   0.00008   3.13384
   D138      -3.14136  -0.00001  -0.00028  -0.00046  -0.00074   3.14108
   D139      -0.00570   0.00000   0.00027  -0.00058  -0.00030  -0.00601
   D140      -1.70191   0.00063  -0.04678   0.00154  -0.04524  -1.74716
   D141       2.58588   0.00046  -0.04628   0.00026  -0.04602   2.53986
   D142       0.37638   0.00071  -0.04942   0.00132  -0.04810   0.32828
   D143       0.42114   0.00018  -0.04903   0.00113  -0.04790   0.37324
   D144      -1.57425   0.00002  -0.04853  -0.00015  -0.04868  -1.62293
   D145       2.49943   0.00027  -0.05167   0.00091  -0.05076   2.44867
   D146       2.43872   0.00071  -0.04971   0.00148  -0.04824   2.39048
   D147       0.44333   0.00054  -0.04921   0.00020  -0.04901   0.39432
   D148      -1.76617   0.00079  -0.05235   0.00126  -0.05109  -1.81727
   D149       2.32316   0.00046   0.02673   0.01112   0.03787   2.36103
   D150      -1.87323  -0.00049   0.02535   0.01251   0.03785  -1.83538
   D151       0.21336   0.00008   0.02798   0.00966   0.03762   0.25099
   D152      -1.08633   0.00073   0.00635  -0.01444  -0.00810  -1.09442
   D153       3.03541   0.00124   0.00037  -0.01056  -0.01018   3.02522
   D154       1.03155   0.00074   0.00340  -0.01145  -0.00805   1.02350
   D155      -3.07812  -0.00059   0.00889  -0.01536  -0.00647  -3.08459
   D156       1.04361  -0.00007   0.00291  -0.01148  -0.00856   1.03505
   D157      -0.96025  -0.00058   0.00594  -0.01237  -0.00642  -0.96667
   D158       1.13507  -0.00008   0.00862  -0.01343  -0.00482   1.13026
   D159      -1.02638   0.00044   0.00264  -0.00955  -0.00691  -1.03328
   D160      -3.03024  -0.00007   0.00568  -0.01044  -0.00477  -3.03501
   D161       2.99868  -0.00036  -0.00178   0.01053   0.00875   3.00743
   D162      -1.13412  -0.00041  -0.00218   0.00857   0.00638  -1.12774
   D163       0.86099  -0.00035  -0.00217   0.00959   0.00742   0.86841
   D164      -1.15887   0.00037   0.00242   0.00478   0.00721  -1.15166
   D165       0.99151   0.00032   0.00202   0.00282   0.00484   0.99635
   D166       2.98662   0.00038   0.00203   0.00385   0.00588   2.99250
   D167       0.89744   0.00006   0.00221   0.00636   0.00858   0.90602
   D168       3.04782   0.00002   0.00180   0.00440   0.00621   3.05403
   D169      -1.24025   0.00007   0.00182   0.00543   0.00725  -1.23300
   D170       1.30374   0.00041   0.04701   0.03032   0.07734   1.38107
   D171      -1.87583   0.00006   0.06492   0.03994   0.10485  -1.77098
   D172      -0.85258   0.00064   0.04288   0.03511   0.07799  -0.77459
   D173       2.25104   0.00029   0.06079   0.04473   0.10551   2.35655
   D174      -2.94943   0.00067   0.04306   0.03309   0.07617  -2.87326
   D175       0.15419   0.00032   0.06097   0.04271   0.10368   0.25787
   D176       1.77119  -0.00003   0.00519  -0.00043   0.00476   1.77595
   D177      -1.37004  -0.00004   0.00437  -0.00080   0.00357  -1.36647
   D178      -0.36894  -0.00003   0.00465   0.00087   0.00552  -0.36341
   D179       2.77302  -0.00003   0.00383   0.00050   0.00433   2.77735
   D180      -2.38151   0.00004   0.00544   0.00149   0.00693  -2.37459
   D181       0.76044   0.00004   0.00461   0.00113   0.00574   0.76618
   D182       3.14058   0.00000  -0.00098  -0.00004  -0.00101   3.13957
   D183      -0.00016  -0.00002  -0.00099  -0.00071  -0.00170  -0.00186
   D184      -0.00138   0.00001  -0.00015   0.00033   0.00017  -0.00120
   D185       3.14107  -0.00001  -0.00017  -0.00035  -0.00052   3.14055
   D186      -3.14092   0.00000   0.00088   0.00013   0.00102  -3.13991
   D187      -0.00152   0.00000   0.00100   0.00004   0.00105  -0.00047
   D188       0.00103   0.00000   0.00006  -0.00023  -0.00017   0.00086
   D189       3.14044  -0.00001   0.00018  -0.00032  -0.00014   3.14030
   D190       0.00105  -0.00001   0.00010  -0.00024  -0.00014   0.00091
   D191      -3.14024  -0.00001   0.00011  -0.00034  -0.00023  -3.14047
   D192      -3.14140   0.00001   0.00012   0.00043   0.00055  -3.14085
   D193       0.00049   0.00001   0.00013   0.00034   0.00046   0.00096
   D194      -0.00037   0.00000   0.00005   0.00006   0.00011  -0.00026
   D195      -3.14099   0.00000  -0.00005   0.00006   0.00000  -3.14099
   D196       3.14092   0.00000   0.00004   0.00016   0.00020   3.14112
   D197       0.00030   0.00000  -0.00006   0.00015   0.00009   0.00039
   D198       0.00002   0.00000  -0.00014   0.00003  -0.00010  -0.00008
   D199      -3.14071   0.00000  -0.00019   0.00010  -0.00009  -3.14080
   D200       3.14064   0.00000  -0.00004   0.00004   0.00000   3.14064
   D201      -0.00009   0.00000  -0.00010   0.00011   0.00001  -0.00008
   D202      -0.00036   0.00000   0.00009   0.00005   0.00013  -0.00022
   D203      -3.13977   0.00001  -0.00003   0.00014   0.00011  -3.13967
   D204       3.14038   0.00000   0.00014  -0.00002   0.00012   3.14050
   D205       0.00096   0.00000   0.00002   0.00007   0.00009   0.00105
   D206       0.01939  -0.00058   0.00953  -0.00008   0.00948   0.02887
   D207       3.12597  -0.00025   0.00953   0.01068   0.02021  -3.13701
   D208      -3.08338  -0.00022  -0.00875  -0.00989  -0.01864  -3.10202
   D209       0.02320   0.00011  -0.00875   0.00087  -0.00791   0.01529
   D210       2.92497   0.00087   0.01787   0.00804   0.02587   2.95084
   D211      -0.24851   0.00116   0.01788   0.01783   0.03574  -0.21277
   D212      -1.54279  -0.00032  -0.00731  -0.01092  -0.01823  -1.56102
   D213       2.66819  -0.00039  -0.00556  -0.01241  -0.01797   2.65021
   D214       0.62992   0.00004  -0.00509  -0.01060  -0.01569   0.61423
   D215      -0.49006  -0.00028  -0.05988  -0.03067  -0.09055  -0.58062
   D216       2.64248  -0.00004  -0.05594  -0.02951  -0.08545   2.55703
   D217       1.45744   0.00002  -0.06007  -0.02902  -0.08909   1.36835
   D218      -1.69320   0.00025  -0.05613  -0.02786  -0.08399  -1.77719
   D219      -2.62027  -0.00040  -0.06118  -0.03107  -0.09225  -2.71251
   D220       0.51228  -0.00016  -0.05724  -0.02991  -0.08715   0.42513
   D221       3.13665   0.00020   0.00332   0.00051   0.00383   3.14048
   D222      -0.00640   0.00009   0.00291   0.00447   0.00738   0.00098
   D223       0.00327  -0.00001  -0.00026  -0.00054  -0.00080   0.00247
   D224      -3.13979  -0.00012  -0.00067   0.00342   0.00275  -3.13704
   D225       3.14052  -0.00012  -0.00195  -0.00130  -0.00325   3.13727
   D226      -0.00849   0.00007   0.00128  -0.00035   0.00093  -0.00757
   D227       0.00638  -0.00010  -0.00140   0.00151   0.00011   0.00649
   D228      -3.13388   0.00000  -0.00103  -0.00209  -0.00312  -3.13700
   D229      -0.01290   0.00015   0.00236  -0.00173   0.00063  -0.01227
   D230       3.13599  -0.00008  -0.00332   0.00111  -0.00222   3.13377
   D231       0.01262  -0.00014  -0.00215   0.00123  -0.00092   0.01171
   D232      -3.13589   0.00009   0.00324  -0.00147   0.00177  -3.13411
   D233      -0.09983  -0.00053  -0.08837  -0.05846  -0.14684  -0.24667
   D234       2.01556  -0.00117  -0.09300  -0.06041  -0.15341   1.86216
   D235      -2.18189  -0.00112  -0.08507  -0.06648  -0.15154  -2.33344
   D236      -2.26692   0.00036  -0.08858  -0.05536  -0.14395  -2.41087
   D237      -0.15153  -0.00029  -0.09321  -0.05731  -0.15052  -0.30205
   D238       1.93419  -0.00024  -0.08528  -0.06337  -0.14865   1.78554
   D239       1.94302   0.00043  -0.08726  -0.05762  -0.14488   1.79814
   D240      -2.22478  -0.00022  -0.09188  -0.05957  -0.15145  -2.37622
   D241      -0.13905  -0.00016  -0.08395  -0.06563  -0.14958  -0.28863
   D242       3.02222   0.00046  -0.00063   0.00667   0.00603   3.02825
   D243      -1.18177   0.00066  -0.00301   0.01066   0.00765  -1.17412
   D244       0.94343   0.00050  -0.00079   0.00719   0.00639   0.94982
   D245      -1.05866  -0.00046  -0.00053   0.00508   0.00456  -1.05410
   D246       1.02053  -0.00027  -0.00291   0.00908   0.00617   1.02671
   D247      -3.13744  -0.00042  -0.00069   0.00560   0.00491  -3.13253
   D248       1.01386   0.00010  -0.00147   0.00561   0.00414   1.01800
   D249       3.09305   0.00029  -0.00385   0.00961   0.00575   3.09880
   D250      -1.06493   0.00014  -0.00164   0.00613   0.00449  -1.06044
   D251       0.00331   0.00000  -0.00045   0.00067   0.00022   0.00353
   D252       3.13874  -0.00002  -0.00251   0.00093  -0.00157   3.13717
         Item               Value     Threshold  Converged?
 Maximum Force            0.004301     0.000450     NO 
 RMS     Force            0.000680     0.000300     NO 
 Maximum Displacement     0.634969     0.001800     NO 
 RMS     Displacement     0.136202     0.001200     NO 
 Predicted change in Energy=-5.340008D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -8.917925   -2.703665   -0.204935
      2          6           0       -8.888739   -1.257322   -0.708374
      3          6           0       -9.949094   -0.394282   -0.018090
      4          6           0       -7.528794   -0.663623   -0.513507
      5          7           0       -6.734093   -0.204243   -1.450080
      6          6           0       -5.512444    0.294707   -0.925009
      7          6           0       -4.516902    0.833381   -1.916925
      8          7           0       -4.107076    2.233363   -1.658940
      9          6           0       -5.155664    3.243371   -1.962408
     10          6           0       -3.196185    2.577284   -0.631239
     11          8           0       -3.041560    3.741026   -0.277274
     12          7           0       -2.436587    1.529839   -0.034326
     13          6           0       -1.200210    1.930930    0.679295
     14          6           0        0.003869    1.657957   -0.243605
     15          8           0        0.028890    0.701156   -1.010394
     16          7           0        1.039535    2.579464   -0.198046
     17          6           0        2.278130    2.382122   -0.999183
     18          6           0        2.751234    3.744068   -1.556341
     19          6           0        3.101577    4.756370   -0.501065
     20          6           0        2.129083    5.660183   -0.044776
     21          6           0        2.451369    6.602239    0.935581
     22          6           0        3.744040    6.652025    1.466432
     23          6           0        4.716880    5.757739    1.008619
     24          6           0        4.400305    4.813733    0.028162
     25          6           0        3.368838    1.691613   -0.155196
     26          6           0        2.979740    0.257363    0.225833
     27          8           0        2.504260    0.350828    1.585710
     28          6           0        4.199941   -0.712148    0.277869
     29          6           0        4.869842   -0.849545   -1.100294
     30          6           0        6.151224   -1.630807   -1.025569
     31          6           0        6.177376   -2.975091   -1.427453
     32          6           0        7.368422   -3.702006   -1.360847
     33          6           0        8.538583   -3.094912   -0.893030
     34          6           0        8.514070   -1.755611   -0.491427
     35          6           0        7.325884   -1.022972   -0.556043
     36          7           0        3.734165   -2.020935    0.810670
     37          6           0        3.065207   -2.953049    0.045647
     38          8           0        2.761926   -2.927382   -1.129302
     39          8           0        2.780466   -4.049238    0.873395
     40          6           0        1.862716   -5.038272    0.325780
     41          6           0        0.476254   -4.664597    0.682518
     42          6           0        0.010079   -4.041077    1.808661
     43          7           0       -1.383068   -3.822547    1.846717
     44          6           0       -1.982954   -4.276309    0.772768
     45         16           0       -0.855425   -4.999009   -0.389377
     46          6           0       -1.089886    1.124358    2.009066
     47          6           0       -0.788097   -0.361568    1.791290
     48          6           0       -0.049008    1.781245    2.919450
     49          6           0       -5.383615    0.210215    0.430947
     50         16           0       -6.811699   -0.504703    1.113389
     51          1           0       -9.861820   -3.191476   -0.476518
     52          1           0       -8.106127   -3.298651   -0.641266
     53          1           0       -8.824242   -2.767129    0.885772
     54          1           0       -9.105057   -1.263338   -1.815189
     55          1           0       -9.832932   -0.382143    1.072073
     56          1           0       -9.906786    0.646243   -0.364365
     57          1           0      -10.956980   -0.769447   -0.232017
     58          1           0       -3.614897    0.175234   -1.946917
     59          1           0       -4.951650    0.790475   -2.950282
     60          1           0       -5.321030    3.271769   -3.051815
     61          1           0       -4.820798    4.249385   -1.639673
     62          1           0       -6.112058    3.020460   -1.461317
     63          1           0       -2.344973    0.635272   -0.536168
     64          1           0       -1.275417    3.029684    0.928733
     65          1           0        1.070444    3.307916    0.514231
     66          1           0        2.015201    1.718313   -1.874167
     67          1           0        1.955037    4.149583   -2.219906
     68          1           0        3.617795    3.574904   -2.228633
     69          1           0        1.122115    5.636723   -0.461004
     70          1           0        1.692190    7.301610    1.284147
     71          1           0        3.992933    7.386041    2.229875
     72          1           0        5.725941    5.797889    1.416445
     73          1           0        5.165856    4.127376   -0.326495
     74          1           0        3.545713    2.264977    0.783711
     75          1           0        4.330328    1.714182   -0.703936
     76          1           0        2.169850   -0.152072   -0.424656
     77          1           0        1.665794   -0.173783    1.690821
     78          1           0        4.938375   -0.315332    1.028323
     79          1           0        4.159033   -1.328964   -1.818414
     80          1           0        5.059891    0.159736   -1.523913
     81          1           0        5.265160   -3.449921   -1.791871
     82          1           0        7.385047   -4.744573   -1.674549
     83          1           0        9.464790   -3.662783   -0.842637
     84          1           0        9.423868   -1.281008   -0.127716
     85          1           0        7.315179    0.018258   -0.243747
     86          1           0        3.936523   -2.224213    1.788800
     87          1           0        2.198295   -5.961456    0.845916
     88          1           0        2.029346   -5.126876   -0.769577
     89          1           0        0.602988   -3.705620    2.655063
     90          1           0       -3.046953   -4.231426    0.574431
     91          1           0       -2.093586    1.206269    2.506271
     92          1           0       -0.939156   -0.680004    0.749054
     93          1           0        0.247958   -0.625440    2.055481
     94          1           0       -1.439350   -0.996914    2.406343
     95          1           0       -0.036441    1.299785    3.905772
     96          1           0        0.972693    1.702017    2.516745
     97          1           0       -0.260271    2.842293    3.089383
     98          1           0       -4.556690    0.525590    1.050524
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0629890      0.0303093      0.0221623
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3561.3456724506 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.246070257080     A.U. after   19 cycles
             Convg  =    0.6583D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000021318    0.000072860   -0.000047468
      2        6          -0.000176281   -0.000019064    0.000002920
      3        6           0.000097151   -0.000016803   -0.000204248
      4        6           0.000186231   -0.000334400    0.000279144
      5        7          -0.000178671   -0.000048096   -0.000038734
      6        6          -0.000304378    0.000372958   -0.000509265
      7        6           0.000376073    0.000167305    0.000934722
      8        7           0.000356523    0.001539482   -0.000956970
      9        6           0.000628363   -0.000414126   -0.000035548
     10        6          -0.000927994   -0.001574897    0.000534226
     11        8           0.000241947    0.000173874   -0.000009036
     12        7           0.000493802    0.001256695   -0.000042938
     13        6          -0.000866293   -0.000106759    0.000911580
     14        6          -0.000115808    0.000025374   -0.000143935
     15        8          -0.000046312   -0.000233045    0.000010709
     16        7           0.000344396   -0.000534142    0.000160116
     17        6           0.000181704    0.000299342    0.000123199
     18        6          -0.000123068   -0.000090818   -0.000054577
     19        6          -0.000038382    0.000078979    0.000020159
     20        6           0.000155841   -0.000129725    0.000036031
     21        6           0.000001951    0.000108276   -0.000009434
     22        6          -0.000053470   -0.000032064    0.000013527
     23        6           0.000049109   -0.000048661    0.000012502
     24        6          -0.000092979    0.000018445   -0.000042919
     25        6           0.000083449    0.000054079    0.000339983
     26        6           0.000236038   -0.000245197   -0.000703477
     27        8           0.000658093    0.000685884    0.000728536
     28        6           0.000016386   -0.000737345    0.000082418
     29        6           0.000250625    0.000043271   -0.000267801
     30        6          -0.000187643    0.000026699    0.000047597
     31        6          -0.000074674   -0.000043038   -0.000047801
     32        6          -0.000020536   -0.000114889   -0.000028212
     33        6           0.000019278    0.000059655    0.000016008
     34        6          -0.000031492   -0.000025802    0.000007697
     35        6           0.000136108    0.000018723   -0.000053349
     36        7          -0.000461719    0.000216083    0.000571548
     37        6          -0.000687081    0.000237518    0.000168180
     38        8           0.000333706    0.000134735    0.000085217
     39        8           0.000349214   -0.000181901    0.000046284
     40        6           0.000070826    0.000266448   -0.000252920
     41        6          -0.000145542    0.000274015   -0.000184470
     42        6           0.000106745   -0.000178625    0.000031318
     43        7           0.000049076   -0.000388707    0.000075707
     44        6          -0.000321691    0.000349237   -0.000309638
     45       16           0.000211843   -0.000245828    0.000124207
     46        6           0.000239896   -0.000032070   -0.000534631
     47        6          -0.000436178    0.000065009   -0.000297974
     48        6           0.000389998    0.000181832    0.000372458
     49        6           0.000355870   -0.000257381    0.000635287
     50       16          -0.000224336    0.000182507   -0.000391711
     51        1           0.000071469   -0.000061132    0.000064027
     52        1          -0.000014290    0.000045509   -0.000041366
     53        1          -0.000103106   -0.000010861   -0.000017302
     54        1          -0.000128511    0.000004992    0.000021604
     55        1           0.000049279   -0.000004892    0.000055853
     56        1           0.000016463    0.000007197    0.000033699
     57        1           0.000036826   -0.000021218    0.000045978
     58        1          -0.000001415   -0.000022243    0.000054361
     59        1          -0.000110340   -0.000000223   -0.000155664
     60        1          -0.000127877    0.000017445   -0.000009090
     61        1           0.000014955    0.000132115   -0.000041996
     62        1          -0.000144919   -0.000108751   -0.000112473
     63        1           0.000129768   -0.000583752   -0.000120024
     64        1           0.000046779   -0.000384812   -0.000044681
     65        1          -0.000238174    0.000362126    0.000150653
     66        1          -0.000021630    0.000064420    0.000165941
     67        1           0.000015283    0.000031581   -0.000121249
     68        1          -0.000003179    0.000052718    0.000033454
     69        1          -0.000011437   -0.000005392   -0.000032530
     70        1           0.000021551   -0.000016225    0.000006026
     71        1          -0.000004907   -0.000006141    0.000000614
     72        1          -0.000011463    0.000028064   -0.000008757
     73        1           0.000049863   -0.000021245   -0.000029137
     74        1          -0.000330894    0.000078220   -0.000052755
     75        1           0.000287986    0.000164547    0.000100539
     76        1          -0.000144920    0.000066364   -0.000352045
     77        1           0.000311711   -0.000117261    0.000247304
     78        1          -0.000176642    0.000249250   -0.000155644
     79        1          -0.000112148   -0.000064626   -0.000078043
     80        1          -0.000074869   -0.000029854    0.000117980
     81        1           0.000077079    0.000049430   -0.000013907
     82        1           0.000022162    0.000023656   -0.000006353
     83        1          -0.000013911   -0.000017571   -0.000001888
     84        1           0.000006589    0.000008506   -0.000001469
     85        1          -0.000036803    0.000000718    0.000014722
     86        1           0.000384368   -0.000019968   -0.000082023
     87        1          -0.000041725   -0.000060894   -0.000007095
     88        1           0.000053905   -0.000155948    0.000204046
     89        1          -0.000020707   -0.000018259    0.000066693
     90        1           0.000047110   -0.000006650    0.000016443
     91        1          -0.000134150   -0.000052556   -0.000281173
     92        1           0.000035746   -0.000521338    0.000124439
     93        1          -0.000355366    0.000086981   -0.000849541
     94        1          -0.000331922   -0.000148664    0.000329675
     95        1          -0.000152726    0.000129856   -0.000153650
     96        1           0.000041862   -0.000177582   -0.000216522
     97        1          -0.000007689    0.000008842    0.000028309
     98        1           0.000007929    0.000149617   -0.000100204
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001574897 RMS     0.000288412

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003228432 RMS     0.000481476
 Search for a local minimum.
 Step number  24 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   22   23   24
 DE= -8.57D-04 DEPred=-5.34D-04 R= 1.60D+00
 SS=  1.41D+00  RLast= 6.58D-01 DXNew= 1.6429D+00 1.9749D+00
 Trust test= 1.60D+00 RLast= 6.58D-01 DXMaxT set to 1.64D+00
     Eigenvalues ---    0.00050   0.00155   0.00266   0.00326   0.00435
     Eigenvalues ---    0.00497   0.00564   0.00622   0.00665   0.00719
     Eigenvalues ---    0.00787   0.00837   0.00914   0.00935   0.00949
     Eigenvalues ---    0.01028   0.01063   0.01089   0.01221   0.01256
     Eigenvalues ---    0.01279   0.01291   0.01393   0.01395   0.01411
     Eigenvalues ---    0.01441   0.01548   0.01582   0.01588   0.01635
     Eigenvalues ---    0.01744   0.01751   0.01833   0.01918   0.01926
     Eigenvalues ---    0.01982   0.02077   0.02183   0.02194   0.02201
     Eigenvalues ---    0.02203   0.02220   0.02258   0.02269   0.02286
     Eigenvalues ---    0.02293   0.02328   0.02373   0.02406   0.02408
     Eigenvalues ---    0.02414   0.02448   0.02482   0.02485   0.02519
     Eigenvalues ---    0.02527   0.02529   0.02650   0.02700   0.02767
     Eigenvalues ---    0.03304   0.03847   0.04022   0.04117   0.04173
     Eigenvalues ---    0.04204   0.04377   0.04494   0.04541   0.04777
     Eigenvalues ---    0.04908   0.04926   0.04967   0.05009   0.05121
     Eigenvalues ---    0.05194   0.05299   0.05398   0.05424   0.05439
     Eigenvalues ---    0.05524   0.05560   0.05572   0.05714   0.05743
     Eigenvalues ---    0.05794   0.05828   0.05902   0.05964   0.05995
     Eigenvalues ---    0.06220   0.06299   0.06464   0.06587   0.06907
     Eigenvalues ---    0.07137   0.07487   0.07547   0.07869   0.08062
     Eigenvalues ---    0.08362   0.08639   0.09504   0.09842   0.10320
     Eigenvalues ---    0.11952   0.12786   0.12919   0.13123   0.13395
     Eigenvalues ---    0.13807   0.13927   0.14322   0.15673   0.15819
     Eigenvalues ---    0.15882   0.15951   0.15985   0.15997   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16008
     Eigenvalues ---    0.16010   0.16025   0.16046   0.16059   0.16073
     Eigenvalues ---    0.16089   0.16116   0.16191   0.16505   0.16884
     Eigenvalues ---    0.17059   0.17419   0.17619   0.17963   0.18124
     Eigenvalues ---    0.18422   0.18797   0.19387   0.20222   0.21501
     Eigenvalues ---    0.21677   0.21782   0.21850   0.21923   0.22000
     Eigenvalues ---    0.22000   0.22002   0.22006   0.22181   0.22580
     Eigenvalues ---    0.22750   0.22897   0.23433   0.23481   0.23543
     Eigenvalues ---    0.23651   0.23734   0.24235   0.24408   0.24835
     Eigenvalues ---    0.24888   0.24962   0.24997   0.25015   0.25021
     Eigenvalues ---    0.25088   0.25163   0.25432   0.26027   0.28958
     Eigenvalues ---    0.29367   0.29493   0.29731   0.29842   0.29969
     Eigenvalues ---    0.30156   0.30183   0.30381   0.30481   0.30727
     Eigenvalues ---    0.30943   0.31342   0.31432   0.31435   0.31481
     Eigenvalues ---    0.31589   0.31615   0.31670   0.31721   0.31989
     Eigenvalues ---    0.32119   0.32359   0.32472   0.32540   0.32659
     Eigenvalues ---    0.32726   0.32780   0.32825   0.32927   0.32945
     Eigenvalues ---    0.33017   0.33048   0.33080   0.33167   0.33193
     Eigenvalues ---    0.33348   0.33415   0.33525   0.33569   0.33670
     Eigenvalues ---    0.33711   0.33903   0.33942   0.33987   0.33999
     Eigenvalues ---    0.34144   0.34235   0.34315   0.34345   0.34382
     Eigenvalues ---    0.34478   0.34521   0.34652   0.34735   0.34889
     Eigenvalues ---    0.35084   0.35487   0.36225   0.36251   0.36314
     Eigenvalues ---    0.36376   0.36630   0.36833   0.36949   0.37175
     Eigenvalues ---    0.38107   0.38453   0.39225   0.39837   0.41088
     Eigenvalues ---    0.41273   0.42402   0.42619   0.42809   0.43241
     Eigenvalues ---    0.43389   0.43973   0.44256   0.45115   0.45474
     Eigenvalues ---    0.47551   0.47663   0.48368   0.48471   0.48590
     Eigenvalues ---    0.48939   0.49388   0.49964   0.50114   0.50832
     Eigenvalues ---    0.51201   0.51344   0.51420   0.55578   0.56329
     Eigenvalues ---    0.58243   0.59290   0.62639   0.65185   0.76035
     Eigenvalues ---    0.78067   0.83688   1.016931000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    24   23   22   21   20
 RFO step:  Lambda=-1.95680417D-04.
 DIIS coeffs:      0.99571      0.13520      0.56040     -1.22341      0.53210
 Iteration  1 RMS(Cart)=  0.07059361 RMS(Int)=  0.00176399
 Iteration  2 RMS(Cart)=  0.00231465 RMS(Int)=  0.00003196
 Iteration  3 RMS(Cart)=  0.00000762 RMS(Int)=  0.00003143
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003143
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89456  -0.00001   0.00019   0.00032   0.00050   2.89506
    R2        2.07238   0.00000   0.00000   0.00003   0.00003   2.07241
    R3        2.07303   0.00003   0.00003   0.00010   0.00013   2.07316
    R4        2.07220  -0.00002   0.00001  -0.00033  -0.00032   2.07188
    R5        2.89423   0.00020  -0.00048   0.00034  -0.00014   2.89410
    R6        2.82822  -0.00011  -0.00025  -0.00025  -0.00050   2.82772
    R7        2.13118  -0.00001   0.00006  -0.00011  -0.00005   2.13113
    R8        2.07190   0.00005   0.00003  -0.00010  -0.00008   2.07182
    R9        2.07387  -0.00003  -0.00005  -0.00008  -0.00014   2.07374
   R10        2.07211   0.00002   0.00014   0.00003   0.00017   2.07228
   R11        2.47817   0.00004  -0.00033   0.00027  -0.00006   2.47811
   R12        3.37319  -0.00029   0.00067  -0.00086  -0.00018   3.37300
   R13        2.68386  -0.00020   0.00032  -0.00081  -0.00049   2.68337
   R14        2.84413  -0.00034  -0.00007  -0.00036  -0.00043   2.84370
   R15        2.57887   0.00036  -0.00032   0.00094   0.00061   2.57949
   R16        2.79939   0.00048  -0.00016   0.00095   0.00078   2.80017
   R17        2.11081   0.00002  -0.00015  -0.00017  -0.00032   2.11049
   R18        2.12009   0.00009   0.00000   0.00008   0.00008   2.12017
   R19        2.81039   0.00044  -0.00010  -0.00006  -0.00016   2.81023
   R20        2.67526   0.00163  -0.00176   0.00122  -0.00054   2.67473
   R21        2.08296   0.00003  -0.00001   0.00009   0.00009   2.08304
   R22        2.09441  -0.00010   0.00020  -0.00061  -0.00041   2.09400
   R23        2.08339  -0.00020   0.00027  -0.00059  -0.00032   2.08307
   R24        2.31713  -0.00008   0.00000  -0.00023  -0.00023   2.31690
   R25        2.69273   0.00002   0.00076  -0.00054   0.00021   2.69295
   R26        2.80213   0.00091  -0.00044   0.00052   0.00008   2.80221
   R27        1.94604  -0.00058   0.00090  -0.00183  -0.00093   1.94511
   R28        2.91292  -0.00106  -0.00073   0.00047  -0.00026   2.91266
   R29        2.94641  -0.00132  -0.00077  -0.00116  -0.00193   2.94448
   R30        2.13392   0.00034  -0.00010   0.00098   0.00088   2.13480
   R31        2.31756  -0.00019  -0.00008  -0.00002  -0.00011   2.31746
   R32        2.62111  -0.00128   0.00012   0.00016   0.00028   2.62139
   R33        2.81238  -0.00104   0.00056   0.00006   0.00063   2.81301
   R34        1.92616  -0.00041   0.00056  -0.00089  -0.00033   1.92584
   R35        2.92093   0.00017  -0.00042   0.00065   0.00023   2.92115
   R36        2.91457  -0.00035   0.00043  -0.00049  -0.00006   2.91451
   R37        2.13411   0.00003  -0.00054   0.00019  -0.00035   2.13376
   R38        2.84157   0.00003   0.00011  -0.00004   0.00007   2.84164
   R39        2.10320   0.00010   0.00004   0.00038   0.00042   2.10362
   R40        2.09710   0.00000  -0.00001  -0.00023  -0.00024   2.09686
   R41        2.65291   0.00015  -0.00005   0.00015   0.00010   2.65301
   R42        2.65240   0.00001   0.00005  -0.00023  -0.00018   2.65222
   R43        2.64051  -0.00004   0.00018  -0.00019  -0.00001   2.64050
   R44        2.05952   0.00000  -0.00003  -0.00006  -0.00009   2.05943
   R45        2.64243   0.00006  -0.00010   0.00000  -0.00010   2.64233
   R46        2.05882   0.00003   0.00001   0.00002   0.00003   2.05885
   R47        2.64275  -0.00002   0.00013  -0.00017  -0.00004   2.64271
   R48        2.05587   0.00001   0.00005  -0.00003   0.00003   2.05590
   R49        2.64066   0.00001  -0.00002  -0.00016  -0.00017   2.64049
   R50        2.05810  -0.00001   0.00006  -0.00001   0.00005   2.05815
   R51        2.05532  -0.00006   0.00008  -0.00011  -0.00003   2.05529
   R52        2.89915   0.00009   0.00114  -0.00127  -0.00012   2.89902
   R53        2.10565  -0.00016   0.00078   0.00013   0.00091   2.10656
   R54        2.09247  -0.00031  -0.00052  -0.00147  -0.00200   2.09048
   R55        2.72807   0.00092   0.00039  -0.00040   0.00000   2.72807
   R56        2.94673   0.00029  -0.00051   0.00171   0.00119   2.94793
   R57        2.10998   0.00006   0.00018   0.00066   0.00084   2.11082
   R58        1.87958   0.00023   0.00252   0.00266   0.00518   1.88476
   R59        2.90734   0.00019  -0.00065   0.00209   0.00144   2.90878
   R60        2.81166   0.00058  -0.00083   0.00150   0.00067   2.81233
   R61        2.12620  -0.00021   0.00032  -0.00106  -0.00074   2.12546
   R62        2.83956   0.00008   0.00008   0.00077   0.00085   2.84040
   R63        2.11344  -0.00008   0.00040   0.00062   0.00102   2.11447
   R64        2.09940  -0.00010  -0.00019  -0.00088  -0.00107   2.09833
   R65        2.65188  -0.00008   0.00022  -0.00007   0.00015   2.65203
   R66        2.65219  -0.00005  -0.00013  -0.00032  -0.00045   2.65174
   R67        2.63983  -0.00001  -0.00014  -0.00030  -0.00044   2.63939
   R68        2.06180   0.00008   0.00033   0.00093   0.00126   2.06306
   R69        2.64338  -0.00003   0.00018  -0.00005   0.00012   2.64351
   R70        2.05766   0.00001  -0.00002  -0.00005  -0.00006   2.05760
   R71        2.64265   0.00000  -0.00009  -0.00011  -0.00021   2.64244
   R72        2.05527   0.00001  -0.00001  -0.00009  -0.00010   2.05517
   R73        2.64070   0.00002   0.00019   0.00000   0.00020   2.64090
   R74        2.05734  -0.00001  -0.00004  -0.00009  -0.00012   2.05722
   R75        2.05434  -0.00002  -0.00008  -0.00023  -0.00031   2.05403
   R76        2.60591   0.00003  -0.00079   0.00097   0.00018   2.60609
   R77        1.92623  -0.00008   0.00030   0.00045   0.00074   1.92698
   R78        2.29362   0.00004  -0.00037   0.00030  -0.00007   2.29355
   R79        2.65093  -0.00026   0.00057   0.00029   0.00086   2.65178
   R80        2.75170  -0.00020   0.00006  -0.00108  -0.00102   2.75068
   R81        2.79601  -0.00010   0.00012  -0.00108  -0.00096   2.79505
   R82        2.10042   0.00000   0.00027   0.00020   0.00047   2.10089
   R83        2.10042  -0.00026   0.00004  -0.00102  -0.00099   2.09943
   R84        2.58713   0.00024   0.00016   0.00039   0.00056   2.58768
   R85        3.29168  -0.00015   0.00013  -0.00131  -0.00118   3.29051
   R86        2.66583  -0.00005   0.00014  -0.00072  -0.00057   2.66526
   R87        2.05318   0.00005  -0.00005   0.00006   0.00001   2.05319
   R88        2.47773   0.00032   0.00003   0.00088   0.00091   2.47863
   R89        3.35084  -0.00023   0.00003  -0.00207  -0.00204   3.34880
   R90        2.04706   0.00004   0.00008  -0.00003   0.00005   2.04711
   R91        2.89473  -0.00010  -0.00051  -0.00027  -0.00078   2.89394
   R92        2.89303  -0.00022  -0.00017   0.00059   0.00041   2.89344
   R93        2.12234  -0.00023   0.00020  -0.00098  -0.00078   2.12156
   R94        2.07911  -0.00050   0.00019  -0.00213  -0.00195   2.07716
   R95        2.08113   0.00005   0.00099   0.00028   0.00127   2.08240
   R96        2.07533   0.00008  -0.00001  -0.00002  -0.00003   2.07530
   R97        2.07422  -0.00019   0.00005  -0.00082  -0.00077   2.07345
   R98        2.08069   0.00004   0.00020   0.00054   0.00074   2.08143
   R99        2.06952  -0.00002  -0.00001   0.00036   0.00036   2.06987
   R100       3.28196  -0.00030   0.00055  -0.00113  -0.00057   3.28139
   R101       2.04155  -0.00015   0.00048  -0.00078  -0.00030   2.04125
    A1        1.93374   0.00002   0.00012   0.00024   0.00035   1.93409
    A2        1.94691  -0.00004  -0.00017  -0.00072  -0.00089   1.94602
    A3        1.96053   0.00001  -0.00036   0.00023  -0.00014   1.96039
    A4        1.87253   0.00002   0.00007  -0.00012  -0.00004   1.87249
    A5        1.86932  -0.00002   0.00048   0.00035   0.00083   1.87015
    A6        1.87655  -0.00001  -0.00010   0.00005  -0.00005   1.87650
    A7        1.95063   0.00007   0.00010   0.00047   0.00057   1.95120
    A8        1.92740  -0.00002  -0.00161  -0.00110  -0.00271   1.92469
    A9        1.89007  -0.00005  -0.00010  -0.00049  -0.00059   1.88948
   A10        1.92505  -0.00002   0.00112   0.00128   0.00240   1.92744
   A11        1.88866   0.00001   0.00007   0.00006   0.00012   1.88878
   A12        1.87989   0.00001   0.00046  -0.00026   0.00020   1.88008
   A13        1.96170   0.00002   0.00015   0.00008   0.00024   1.96194
   A14        1.94483   0.00003   0.00025   0.00088   0.00113   1.94596
   A15        1.93440   0.00004  -0.00020  -0.00019  -0.00039   1.93401
   A16        1.87460  -0.00002   0.00004   0.00013   0.00016   1.87476
   A17        1.87042  -0.00006  -0.00016  -0.00006  -0.00023   1.87019
   A18        1.87368  -0.00002  -0.00009  -0.00091  -0.00100   1.87268
   A19        2.21008  -0.00012   0.00068  -0.00069  -0.00002   2.21007
   A20        2.11651   0.00007  -0.00071   0.00064  -0.00007   2.11644
   A21        1.95658   0.00005   0.00003   0.00007   0.00010   1.95668
   A22        1.96091  -0.00002   0.00002  -0.00003  -0.00002   1.96089
   A23        2.03875  -0.00012   0.00028   0.00027   0.00055   2.03930
   A24        2.01174  -0.00007   0.00015  -0.00023  -0.00008   2.01166
   A25        2.23263   0.00020  -0.00043  -0.00003  -0.00046   2.23216
   A26        1.98938   0.00037  -0.00070   0.00026  -0.00044   1.98894
   A27        1.91874  -0.00009  -0.00034   0.00070   0.00036   1.91910
   A28        1.91456  -0.00003   0.00045  -0.00027   0.00019   1.91475
   A29        1.91571  -0.00010   0.00007   0.00026   0.00033   1.91604
   A30        1.87943  -0.00021   0.00025  -0.00144  -0.00117   1.87825
   A31        1.83968   0.00003   0.00035   0.00045   0.00080   1.84048
   A32        1.99459   0.00040  -0.00166   0.00344   0.00180   1.99639
   A33        2.13414  -0.00025   0.00007   0.00191   0.00196   2.13610
   A34        2.02284  -0.00016   0.00019   0.00179   0.00198   2.02483
   A35        1.90176  -0.00021  -0.00019  -0.00120  -0.00140   1.90036
   A36        1.92197   0.00011   0.00062   0.00119   0.00181   1.92378
   A37        1.96231   0.00007  -0.00008  -0.00131  -0.00139   1.96092
   A38        1.88572  -0.00002  -0.00027  -0.00032  -0.00059   1.88513
   A39        1.90104   0.00009  -0.00024   0.00047   0.00023   1.90127
   A40        1.88944  -0.00005   0.00016   0.00121   0.00137   1.89081
   A41        2.11913  -0.00018   0.00086   0.00024   0.00109   2.12022
   A42        2.05841  -0.00017   0.00019  -0.00092  -0.00075   2.05766
   A43        2.10541   0.00035  -0.00089   0.00036  -0.00054   2.10487
   A44        2.03448   0.00036  -0.00110   0.00018  -0.00090   2.03358
   A45        2.07354  -0.00010  -0.00119  -0.00020  -0.00137   2.07217
   A46        1.97721  -0.00024   0.00001  -0.00161  -0.00158   1.97564
   A47        1.89154   0.00057  -0.00066   0.00067   0.00001   1.89155
   A48        1.90659   0.00178   0.00081   0.00121   0.00202   1.90861
   A49        1.89017  -0.00057   0.00087  -0.00131  -0.00044   1.88973
   A50        1.94309  -0.00323  -0.00306   0.00006  -0.00299   1.94009
   A51        1.93541   0.00130   0.00246  -0.00022   0.00224   1.93765
   A52        1.89618   0.00023  -0.00034  -0.00043  -0.00076   1.89542
   A53        2.12756  -0.00052  -0.00058   0.00119   0.00062   2.12817
   A54        2.03302   0.00137   0.00052  -0.00101  -0.00049   2.03253
   A55        2.12190  -0.00079  -0.00010  -0.00006  -0.00015   2.12175
   A56        2.11256  -0.00301  -0.00199   0.00238   0.00040   2.11296
   A57        2.11812   0.00139   0.00026  -0.00059  -0.00031   2.11781
   A58        2.03275   0.00132   0.00037  -0.00068  -0.00029   2.03246
   A59        1.90915   0.00123  -0.00014  -0.00174  -0.00188   1.90727
   A60        1.93195  -0.00263   0.00028   0.00281   0.00309   1.93503
   A61        1.87680   0.00039  -0.00118   0.00023  -0.00095   1.87585
   A62        1.95550   0.00158   0.00095  -0.00134  -0.00039   1.95511
   A63        1.88589  -0.00053   0.00012  -0.00004   0.00008   1.88597
   A64        1.90230  -0.00004  -0.00013   0.00009  -0.00003   1.90226
   A65        1.99493   0.00003   0.00053   0.00057   0.00110   1.99603
   A66        1.89335   0.00002  -0.00027  -0.00021  -0.00048   1.89287
   A67        1.89976  -0.00005  -0.00003  -0.00010  -0.00013   1.89963
   A68        1.91750  -0.00002   0.00002   0.00022   0.00024   1.91774
   A69        1.92393   0.00003  -0.00039  -0.00052  -0.00092   1.92301
   A70        1.82654  -0.00002   0.00009   0.00001   0.00010   1.82665
   A71        2.09453   0.00010  -0.00025   0.00007  -0.00018   2.09435
   A72        2.10332  -0.00007   0.00015  -0.00005   0.00010   2.10342
   A73        2.08531  -0.00003   0.00010  -0.00003   0.00007   2.08538
   A74        2.09707  -0.00001  -0.00006  -0.00005  -0.00011   2.09697
   A75        2.09677   0.00000   0.00020   0.00017   0.00037   2.09714
   A76        2.08929   0.00001  -0.00014  -0.00012  -0.00026   2.08903
   A77        2.09854   0.00001   0.00000   0.00002   0.00002   2.09856
   A78        2.09040   0.00000  -0.00003   0.00001  -0.00002   2.09038
   A79        2.09424  -0.00002   0.00004  -0.00003   0.00001   2.09425
   A80        2.08982   0.00000   0.00002  -0.00003  -0.00001   2.08982
   A81        2.09662   0.00001   0.00007   0.00006   0.00014   2.09676
   A82        2.09673  -0.00001  -0.00010  -0.00004  -0.00013   2.09660
   A83        2.09913   0.00002   0.00001   0.00004   0.00005   2.09917
   A84        2.09250   0.00002  -0.00003   0.00011   0.00008   2.09257
   A85        2.09156  -0.00004   0.00002  -0.00015  -0.00012   2.09144
   A86        2.09646   0.00001  -0.00007   0.00005  -0.00002   2.09644
   A87        2.09734  -0.00001  -0.00004  -0.00009  -0.00012   2.09721
   A88        2.08937   0.00000   0.00010   0.00004   0.00014   2.08952
   A89        1.95530  -0.00246   0.00002   0.00201   0.00204   1.95734
   A90        1.92089   0.00062  -0.00039   0.00079   0.00040   1.92129
   A91        1.91108   0.00095   0.00045  -0.00161  -0.00116   1.90992
   A92        1.88814   0.00064  -0.00191   0.00128  -0.00062   1.88752
   A93        1.94160   0.00081   0.00188  -0.00180   0.00009   1.94169
   A94        1.84342  -0.00042  -0.00011  -0.00079  -0.00090   1.84252
   A95        1.83067   0.00041  -0.00091   0.00028  -0.00063   1.83004
   A96        1.97260   0.00065   0.00074  -0.00086  -0.00012   1.97248
   A97        1.96285  -0.00053   0.00063  -0.00029   0.00034   1.96319
   A98        1.84061  -0.00035   0.00170  -0.00019   0.00151   1.84211
   A99        1.91094  -0.00013  -0.00153   0.00129  -0.00023   1.91071
   A100       1.93804  -0.00004  -0.00068  -0.00009  -0.00077   1.93726
   A101       1.92096   0.00063  -0.00017  -0.00086  -0.00102   1.91993
   A102       1.94589  -0.00003  -0.00091  -0.00162  -0.00253   1.94335
   A103       1.89009  -0.00100  -0.00184  -0.00216  -0.00400   1.88609
   A104       1.89288   0.00044   0.00175   0.00110   0.00286   1.89574
   A105       1.95900   0.00098   0.00100   0.00678   0.00778   1.96678
   A106       1.92112  -0.00037   0.00004  -0.00253  -0.00248   1.91864
   A107       1.85130  -0.00004   0.00002  -0.00170  -0.00167   1.84964
   A108       1.95325   0.00014   0.00034   0.00194   0.00228   1.95553
   A109       1.91424   0.00012  -0.00045   0.00286   0.00241   1.91665
   A110       1.91232  -0.00010   0.00007  -0.00036  -0.00030   1.91203
   A111       1.92948  -0.00008  -0.00068  -0.00179  -0.00247   1.92700
   A112       1.92349  -0.00010   0.00037  -0.00294  -0.00257   1.92092
   A113       1.82691   0.00002   0.00034   0.00018   0.00052   1.82743
   A114       2.09406   0.00005  -0.00054  -0.00016  -0.00070   2.09336
   A115       2.10040  -0.00009   0.00041  -0.00007   0.00034   2.10074
   A116       2.08873   0.00004   0.00013   0.00023   0.00035   2.08908
   A117       2.09521  -0.00002  -0.00004  -0.00013  -0.00018   2.09504
   A118       2.09090  -0.00003  -0.00044  -0.00086  -0.00129   2.08960
   A119       2.09708   0.00006   0.00048   0.00099   0.00147   2.09855
   A120       2.09826   0.00003  -0.00003   0.00005   0.00002   2.09829
   A121       2.09153  -0.00005   0.00009  -0.00015  -0.00006   2.09147
   A122       2.09339   0.00002  -0.00006   0.00010   0.00004   2.09343
   A123       2.09097  -0.00002   0.00003  -0.00001   0.00002   2.09100
   A124       2.09588   0.00003  -0.00008   0.00011   0.00003   2.09591
   A125       2.09633  -0.00001   0.00005  -0.00010  -0.00006   2.09627
   A126       2.09872  -0.00001   0.00005   0.00000   0.00005   2.09878
   A127       2.09300   0.00001   0.00000  -0.00002  -0.00001   2.09299
   A128       2.09146   0.00000  -0.00005   0.00002  -0.00004   2.09142
   A129       2.09447  -0.00001  -0.00013  -0.00014  -0.00028   2.09419
   A130       2.09749   0.00004   0.00019   0.00026   0.00045   2.09794
   A131       2.09122  -0.00003  -0.00005  -0.00012  -0.00017   2.09105
   A132       2.15051   0.00049   0.00205   0.00566   0.00731   2.15782
   A133       2.04531  -0.00026  -0.00111  -0.00368  -0.00519   2.04012
   A134       2.08732  -0.00022  -0.00061  -0.00164  -0.00265   2.08467
   A135       2.27047   0.00034   0.00152   0.00341   0.00501   2.27548
   A136       1.87477  -0.00022  -0.00182  -0.00166  -0.00339   1.87138
   A137       2.13769  -0.00009  -0.00010  -0.00165  -0.00167   2.13602
   A138       2.02281  -0.00082   0.00116  -0.00169  -0.00053   2.02228
   A139       1.90539  -0.00116  -0.00186  -0.00222  -0.00408   1.90131
   A140       1.76998   0.00031   0.00022   0.00176   0.00198   1.77196
   A141       1.90739   0.00037   0.00095   0.00002   0.00098   1.90836
   A142       1.96043   0.00042  -0.00033   0.00094   0.00060   1.96103
   A143       1.98037   0.00016   0.00143   0.00081   0.00224   1.98261
   A144       1.92804  -0.00010  -0.00055  -0.00128  -0.00183   1.92621
   A145       2.25548  -0.00032  -0.00052  -0.00143  -0.00195   2.25353
   A146       2.11710   0.00030   0.00061   0.00118   0.00179   2.11889
   A147       1.91060   0.00002  -0.00009   0.00025   0.00016   1.91075
   A148       2.01420  -0.00001  -0.00001  -0.00030  -0.00031   2.01389
   A149       2.20881   0.00000   0.00028  -0.00034  -0.00006   2.20875
   A150       2.06017   0.00001  -0.00027   0.00063   0.00036   2.06053
   A151       1.95641  -0.00014   0.00004  -0.00048  -0.00044   1.95597
   A152       1.96812   0.00009  -0.00005   0.00044   0.00038   1.96850
   A153       2.19570  -0.00008   0.00005  -0.00115  -0.00110   2.19460
   A154       2.11936  -0.00001  -0.00002   0.00074   0.00073   2.12008
   A155       1.57537   0.00004   0.00008   0.00016   0.00024   1.57561
   A156       1.97632  -0.00094  -0.00137  -0.00188  -0.00327   1.97304
   A157       1.91061   0.00025  -0.00177   0.00130  -0.00050   1.91012
   A158       1.85106   0.00044   0.00115   0.00178   0.00293   1.85399
   A159       1.94638  -0.00003  -0.00106  -0.00211  -0.00318   1.94320
   A160       1.88573   0.00071   0.00173   0.00029   0.00201   1.88775
   A161       1.88922  -0.00038   0.00168   0.00094   0.00263   1.89184
   A162       1.96967  -0.00026  -0.00203  -0.00293  -0.00497   1.96471
   A163       1.96456  -0.00041  -0.00082   0.00029  -0.00055   1.96401
   A164       1.94415   0.00058   0.00067   0.00106   0.00174   1.94589
   A165       1.86196  -0.00007  -0.00076  -0.00319  -0.00398   1.85798
   A166       1.85633   0.00008   0.00124   0.00786   0.00912   1.86545
   A167       1.85971   0.00010   0.00196  -0.00285  -0.00088   1.85883
   A168       1.93257  -0.00003   0.00013  -0.00011   0.00002   1.93259
   A169       1.96333   0.00015  -0.00083  -0.00046  -0.00129   1.96204
   A170       1.95717  -0.00003  -0.00001   0.00107   0.00106   1.95823
   A171       1.86133  -0.00002   0.00100   0.00133   0.00233   1.86367
   A172       1.86268   0.00006   0.00004  -0.00004  -0.00001   1.86267
   A173       1.88123  -0.00013  -0.00023  -0.00180  -0.00203   1.87920
   A174       1.91590  -0.00004  -0.00001   0.00000  -0.00001   1.91589
   A175       2.24467  -0.00008   0.00034  -0.00065  -0.00031   2.24436
   A176       2.12258   0.00011  -0.00033   0.00065   0.00032   2.12290
   A177       1.57964   0.00008  -0.00018   0.00021   0.00002   1.57966
    D1        1.13659  -0.00006   0.00365  -0.01562  -0.01197   1.12462
    D2       -2.99666  -0.00005   0.00399  -0.01443  -0.01043  -3.00709
    D3       -0.94218  -0.00008   0.00358  -0.01566  -0.01208  -0.95426
    D4       -3.06170  -0.00004   0.00371  -0.01609  -0.01238  -3.07408
    D5       -0.91177  -0.00003   0.00405  -0.01490  -0.01084  -0.92261
    D6        1.14271  -0.00006   0.00364  -0.01613  -0.01249   1.13022
    D7       -0.95330  -0.00006   0.00320  -0.01638  -0.01318  -0.96648
    D8        1.19663  -0.00005   0.00355  -0.01519  -0.01164   1.18499
    D9       -3.03207  -0.00009   0.00313  -0.01642  -0.01329  -3.04536
   D10        1.01150  -0.00001  -0.00342  -0.01643  -0.01985   0.99165
   D11        3.11673   0.00000  -0.00309  -0.01559  -0.01867   3.09806
   D12       -1.08104   0.00002  -0.00317  -0.01628  -0.01945  -1.10049
   D13       -1.13977  -0.00002  -0.00222  -0.01627  -0.01849  -1.15826
   D14        0.96546   0.00000  -0.00189  -0.01543  -0.01732   0.94814
   D15        3.05087   0.00002  -0.00198  -0.01612  -0.01810   3.03278
   D16        3.09110  -0.00002  -0.00345  -0.01671  -0.02016   3.07094
   D17       -1.08686  -0.00001  -0.00311  -0.01586  -0.01898  -1.10583
   D18        0.99856   0.00001  -0.00320  -0.01656  -0.01976   0.97880
   D19        2.08331  -0.00006  -0.02974  -0.02804  -0.05777   2.02553
   D20       -1.06365  -0.00002  -0.03015  -0.02164  -0.05178  -1.11543
   D21       -2.03515   0.00000  -0.02995  -0.02731  -0.05726  -2.09241
   D22        1.10109   0.00004  -0.03036  -0.02090  -0.05127   1.04982
   D23        0.02258   0.00000  -0.02898  -0.02668  -0.05566  -0.03309
   D24       -3.12438   0.00004  -0.02940  -0.02028  -0.04967   3.10914
   D25        3.13946   0.00000   0.00048   0.00329   0.00377  -3.13996
   D26        0.00281  -0.00003   0.00086  -0.00262  -0.00176   0.00105
   D27       -3.14067   0.00000  -0.00037  -0.00260  -0.00297   3.13954
   D28       -0.00372   0.00003  -0.00073   0.00295   0.00222  -0.00150
   D29        3.12966   0.00003  -0.00103   0.00135   0.00032   3.12998
   D30       -0.00005   0.00001  -0.00059   0.00078   0.00019   0.00014
   D31        2.15689  -0.00004  -0.00263  -0.01361  -0.01624   2.14064
   D32       -1.96713   0.00003  -0.00332  -0.01253  -0.01585  -1.98298
   D33        0.04815  -0.00001  -0.00283  -0.01174  -0.01457   0.03358
   D34       -0.99833  -0.00002  -0.00312  -0.01297  -0.01609  -1.01442
   D35        1.16084   0.00004  -0.00381  -0.01188  -0.01569   1.14514
   D36       -3.10707   0.00001  -0.00332  -0.01110  -0.01442  -3.12149
   D37       -0.00277   0.00001   0.00003   0.00147   0.00150  -0.00127
   D38       -3.13570  -0.00001   0.00041   0.00169   0.00210  -3.13360
   D39       -3.13092   0.00000   0.00051   0.00083   0.00134  -3.12958
   D40        0.01934  -0.00003   0.00089   0.00105   0.00194   0.02128
   D41       -1.25838   0.00013  -0.00131   0.00710   0.00578  -1.25259
   D42        1.33170   0.00008  -0.00385   0.02137   0.01753   1.34923
   D43        2.86400   0.00005  -0.00040   0.00578   0.00537   2.86938
   D44       -0.82910   0.00001  -0.00293   0.02005   0.01712  -0.81198
   D45        0.86985   0.00019  -0.00100   0.00589   0.00489   0.87474
   D46       -2.82326   0.00014  -0.00353   0.02017   0.01664  -2.80662
   D47       -1.18686  -0.00005  -0.01819   0.00100  -0.01718  -1.20404
   D48        3.03092   0.00003  -0.01811   0.00141  -0.01668   3.01424
   D49        0.92238  -0.00004  -0.01868  -0.00009  -0.01875   0.90363
   D50        2.46967   0.00004  -0.01581  -0.01232  -0.02815   2.44152
   D51        0.40426   0.00012  -0.01572  -0.01191  -0.02765   0.37662
   D52       -1.70428   0.00006  -0.01630  -0.01340  -0.02972  -1.73399
   D53       -2.91910   0.00016  -0.00092  -0.00776  -0.00865  -2.92774
   D54        0.24594   0.00008  -0.00808   0.00743  -0.00064   0.24529
   D55       -0.33723   0.00027  -0.00397   0.00720   0.00322  -0.33401
   D56        2.82780   0.00019  -0.01113   0.02240   0.01123   2.83903
   D57        2.79070   0.00009   0.00294   0.00035   0.00327   2.79397
   D58        0.32625   0.00015   0.00621   0.00337   0.00957   0.33582
   D59       -0.32765   0.00002  -0.00424   0.01542   0.01118  -0.31647
   D60       -2.79210   0.00008  -0.00098   0.01844   0.01748  -2.77462
   D61       -1.75416  -0.00129  -0.00509   0.01077   0.00568  -1.74848
   D62        2.40913   0.00122  -0.00145   0.00955   0.00810   2.41723
   D63        0.34674   0.00027  -0.00201   0.01014   0.00812   0.35487
   D64        0.74677  -0.00131  -0.00863   0.00840  -0.00022   0.74655
   D65       -1.37312   0.00120  -0.00498   0.00718   0.00220  -1.37092
   D66        2.84767   0.00025  -0.00554   0.00777   0.00223   2.84990
   D67       -0.60751  -0.00012  -0.00648  -0.01036  -0.01683  -0.62434
   D68        2.49412   0.00141  -0.01035  -0.00693  -0.01729   2.47683
   D69        1.48977   0.00047  -0.00778  -0.00839  -0.01616   1.47361
   D70       -1.69179   0.00200  -0.01165  -0.00497  -0.01661  -1.70840
   D71       -2.68001  -0.00055  -0.00859  -0.00904  -0.01763  -2.69763
   D72        0.42162   0.00098  -0.01246  -0.00561  -0.01808   0.40354
   D73        1.22197   0.00068   0.00827   0.00228   0.01055   1.23252
   D74       -2.87760   0.00014   0.00450  -0.00087   0.00362  -2.87397
   D75       -0.84306   0.00006   0.00620   0.00184   0.00804  -0.83502
   D76       -0.86639   0.00083   0.01047   0.00062   0.01110  -0.85529
   D77        1.31723   0.00029   0.00670  -0.00253   0.00417   1.32140
   D78       -2.93142   0.00021   0.00840   0.00018   0.00859  -2.92283
   D79       -3.00259   0.00114   0.00960   0.00114   0.01074  -2.99186
   D80       -0.81898   0.00060   0.00582  -0.00201   0.00381  -0.81517
   D81        1.21556   0.00052   0.00753   0.00070   0.00823   1.22379
   D82        3.09157  -0.00230  -0.00546   0.00705   0.00158   3.09315
   D83        0.16974  -0.00079   0.00160   0.00109   0.00269   0.17243
   D84       -0.08985  -0.00076  -0.00935   0.01049   0.00115  -0.08870
   D85       -3.01168   0.00074  -0.00228   0.00454   0.00226  -3.00942
   D86        2.46650   0.00090   0.02354   0.00223   0.02577   2.49228
   D87       -1.65369   0.00196   0.02483   0.00123   0.02607  -1.62762
   D88        0.42254   0.00066   0.02413   0.00308   0.02721   0.44975
   D89       -0.88457  -0.00049   0.01681   0.00789   0.02470  -0.85986
   D90        1.27843   0.00057   0.01811   0.00689   0.02500   1.30342
   D91       -2.92853  -0.00074   0.01740   0.00874   0.02614  -2.90239
   D92        1.07401  -0.00075   0.00101  -0.00323  -0.00221   1.07180
   D93       -1.07201  -0.00076   0.00081  -0.00373  -0.00292  -1.07494
   D94       -3.04989  -0.00073   0.00085  -0.00358  -0.00273  -3.05262
   D95       -1.07507   0.00066   0.00010  -0.00465  -0.00455  -1.07962
   D96        3.06209   0.00065  -0.00010  -0.00516  -0.00526   3.05683
   D97        1.08421   0.00068  -0.00006  -0.00501  -0.00506   1.07914
   D98        3.11224   0.00009  -0.00040  -0.00392  -0.00432   3.10792
   D99        0.96621   0.00007  -0.00060  -0.00443  -0.00503   0.96119
   D100      -1.01167   0.00011  -0.00055  -0.00428  -0.00483  -1.01650
   D101       1.15112  -0.00087  -0.00706   0.00158  -0.00549   1.14563
   D102      -0.95034  -0.00047  -0.00441  -0.00192  -0.00633  -0.95667
   D103      -2.96935  -0.00086  -0.00430  -0.00049  -0.00480  -2.97415
   D104      -2.99590  -0.00007  -0.00638   0.00041  -0.00597  -3.00187
   D105       1.18583   0.00033  -0.00373  -0.00309  -0.00681   1.17902
   D106      -0.83318  -0.00006  -0.00361  -0.00167  -0.00528  -0.83846
   D107      -0.90963   0.00023  -0.00572  -0.00042  -0.00614  -0.91576
   D108      -3.01108   0.00063  -0.00307  -0.00391  -0.00698  -3.01806
   D109       1.25309   0.00024  -0.00295  -0.00249  -0.00545   1.24764
   D110      -1.61170   0.00002  -0.00642  -0.00641  -0.01283  -1.62453
   D111       1.53816   0.00002  -0.00617  -0.00578  -0.01195   1.52621
   D112       0.52118   0.00005  -0.00637  -0.00612  -0.01249   0.50870
   D113      -2.61215   0.00005  -0.00611  -0.00549  -0.01161  -2.62375
   D114       2.52524   0.00004  -0.00646  -0.00628  -0.01275   2.51250
   D115      -0.60809   0.00004  -0.00621  -0.00566  -0.01186  -0.61995
   D116      -3.14143  -0.00001   0.00052   0.00012   0.00063  -3.14080
   D117      -0.01070  -0.00002   0.00067   0.00013   0.00080  -0.00990
   D118      -0.00802  -0.00002   0.00027  -0.00050  -0.00024  -0.00825
   D119       3.12272  -0.00002   0.00042  -0.00049  -0.00007   3.12265
   D120      -3.14154   0.00001  -0.00038   0.00004  -0.00034   3.14131
   D121       0.00557   0.00001  -0.00049   0.00017  -0.00033   0.00525
   D122       0.00828   0.00001  -0.00013   0.00066   0.00054   0.00881
   D123      -3.12780   0.00002  -0.00024   0.00079   0.00055  -3.12725
   D124       0.00173   0.00001  -0.00019   0.00010  -0.00008   0.00165
   D125       3.14009   0.00001  -0.00013   0.00007  -0.00007   3.14003
   D126      -3.12905   0.00001  -0.00034   0.00009  -0.00025  -3.12930
   D127       0.00931   0.00001  -0.00029   0.00005  -0.00024   0.00908
   D128       0.00433   0.00000  -0.00003   0.00014   0.00011   0.00444
   D129      -3.14128   0.00000   0.00005  -0.00005   0.00000  -3.14128
   D130      -3.13402   0.00001  -0.00009   0.00018   0.00009  -3.13393
   D131       0.00356   0.00000   0.00000  -0.00002  -0.00002   0.00354
   D132      -0.00407  -0.00001   0.00017   0.00002   0.00019  -0.00388
   D133       3.13578  -0.00001   0.00028   0.00000   0.00028   3.13606
   D134       3.14154   0.00000   0.00008   0.00021   0.00030  -3.14135
   D135      -0.00180   0.00000   0.00019   0.00020   0.00039  -0.00141
   D136      -0.00226   0.00000  -0.00009  -0.00042  -0.00051  -0.00277
   D137       3.13384  -0.00001   0.00002  -0.00055  -0.00053   3.13331
   D138       3.14108   0.00000  -0.00019  -0.00041  -0.00060   3.14047
   D139      -0.00601   0.00000  -0.00009  -0.00053  -0.00062  -0.00663
   D140      -1.74716   0.00047  -0.01930   0.00500  -0.01430  -1.76145
   D141       2.53986   0.00034  -0.02116   0.00549  -0.01566   2.52420
   D142       0.32828   0.00029  -0.02137   0.00658  -0.01479   0.31349
   D143       0.37324   0.00012  -0.02106   0.00814  -0.01292   0.36032
   D144      -1.62293  -0.00002  -0.02291   0.00862  -0.01429  -1.63722
   D145       2.44867  -0.00007  -0.02312   0.00971  -0.01341   2.43526
   D146       2.39048   0.00043  -0.02128   0.00695  -0.01433   2.37616
   D147       0.39432   0.00029  -0.02313   0.00744  -0.01569   0.37863
   D148      -1.81727   0.00025  -0.02334   0.00853  -0.01482  -1.83208
   D149       2.36103  -0.00045   0.01025   0.02194   0.03219   2.39322
   D150      -1.83538   0.00031   0.01146   0.02100   0.03245  -1.80292
   D151       0.25099   0.00000   0.01081   0.02145   0.03227   0.28326
   D152      -1.09442   0.00040  -0.01126  -0.01373  -0.02498  -1.11940
   D153       3.02522  -0.00013  -0.01061  -0.01971  -0.03033   2.99489
   D154       1.02350   0.00021  -0.01061  -0.01717  -0.02777   0.99573
   D155      -3.08459  -0.00020  -0.01154  -0.01352  -0.02505  -3.10965
   D156       1.03505  -0.00073  -0.01090  -0.01950  -0.03041   1.00464
   D157      -0.96667  -0.00039  -0.01089  -0.01696  -0.02785  -0.99452
   D158       1.13026   0.00018  -0.01036  -0.01490  -0.02526   1.10500
   D159      -1.03328  -0.00035  -0.00972  -0.02089  -0.03061  -1.06389
   D160      -3.03501  -0.00001  -0.00971  -0.01834  -0.02805  -3.06305
   D161       3.00743   0.00024   0.00428   0.00681   0.01109   3.01852
   D162      -1.12774   0.00032   0.00333   0.00790   0.01122  -1.11651
   D163       0.86841   0.00035   0.00353   0.00949   0.01302   0.88143
   D164      -1.15166  -0.00037   0.00194   0.00769   0.00963  -1.14204
   D165       0.99635  -0.00030   0.00099   0.00878   0.00976   1.00612
   D166       2.99250  -0.00027   0.00119   0.01037   0.01156   3.00406
   D167       0.90602  -0.00005   0.00262   0.00818   0.01081   0.91683
   D168       3.05403   0.00002   0.00167   0.00927   0.01095   3.06498
   D169      -1.23300   0.00005   0.00187   0.01086   0.01274  -1.22026
   D170       1.38107  -0.00045   0.01858   0.02633   0.04492   1.42599
   D171      -1.77098   0.00022   0.02875   0.06357   0.09230  -1.67868
   D172      -0.77459  -0.00036   0.02038   0.02540   0.04580  -0.72879
   D173       2.35655   0.00031   0.03055   0.06264   0.09318   2.44972
   D174      -2.87326  -0.00044   0.01973   0.02569   0.04545  -2.82781
   D175       0.25787   0.00023   0.02990   0.06294   0.09283   0.35070
   D176       1.77595   0.00013   0.00152   0.00503   0.00655   1.78249
   D177      -1.36647   0.00011   0.00133   0.00289   0.00422  -1.36225
   D178      -0.36341  -0.00005   0.00234   0.00127   0.00361  -0.35980
   D179       2.77735  -0.00008   0.00215  -0.00086   0.00129   2.77864
   D180      -2.37459   0.00003   0.00210   0.00382   0.00592  -2.36867
   D181       0.76618   0.00001   0.00191   0.00169   0.00360   0.76978
   D182       3.13957  -0.00001  -0.00024  -0.00135  -0.00158   3.13798
   D183      -0.00186  -0.00001  -0.00043  -0.00138  -0.00180  -0.00366
   D184      -0.00120   0.00001  -0.00005   0.00077   0.00072  -0.00048
   D185       3.14055   0.00001  -0.00024   0.00074   0.00050   3.14106
   D186      -3.13991   0.00001   0.00024   0.00122   0.00146  -3.13844
   D187      -0.00047   0.00001   0.00025   0.00147   0.00173   0.00126
   D188       0.00086  -0.00001   0.00005  -0.00090  -0.00085   0.00001
   D189       3.14030  -0.00001   0.00007  -0.00066  -0.00059   3.13971
   D190       0.00091   0.00000   0.00000  -0.00022  -0.00022   0.00069
   D191      -3.14047   0.00000  -0.00007  -0.00002  -0.00009  -3.14056
   D192      -3.14085   0.00000   0.00019  -0.00019   0.00000  -3.14085
   D193       0.00096   0.00000   0.00012   0.00001   0.00013   0.00109
   D194      -0.00026   0.00000   0.00005  -0.00021  -0.00015  -0.00041
   D195      -3.14099   0.00000  -0.00004   0.00008   0.00005  -3.14094
   D196       3.14112  -0.00001   0.00012  -0.00041  -0.00029   3.14083
   D197       0.00039   0.00000   0.00003  -0.00011  -0.00009   0.00031
   D198      -0.00008   0.00000  -0.00005   0.00007   0.00002  -0.00006
   D199      -3.14080   0.00000  -0.00010   0.00032   0.00022  -3.14058
   D200       3.14064   0.00000   0.00004  -0.00022  -0.00018   3.14046
   D201      -0.00008   0.00000  -0.00001   0.00003   0.00002  -0.00006
   D202      -0.00022   0.00001   0.00000   0.00048   0.00048   0.00026
   D203      -3.13967   0.00000  -0.00002   0.00024   0.00022  -3.13945
   D204       3.14050   0.00000   0.00005   0.00024   0.00029   3.14078
   D205       0.00105   0.00000   0.00003  -0.00001   0.00002   0.00108
   D206       0.02887   0.00007   0.00754   0.02167   0.02922   0.05809
   D207      -3.13701   0.00138   0.00052   0.02637   0.02691  -3.11009
   D208      -3.10202  -0.00061  -0.00285  -0.01642  -0.01929  -3.12131
   D209       0.01529   0.00070  -0.00986  -0.01172  -0.02160  -0.00631
   D210       2.95084  -0.00119   0.00031   0.00318   0.00350   2.95434
   D211      -0.21277   0.00001  -0.00599   0.00753   0.00154  -0.21124
   D212      -1.56102   0.00040  -0.01044  -0.00624  -0.01669  -1.57771
   D213       2.65021   0.00026  -0.00939  -0.00727  -0.01666   2.63355
   D214       0.61423   0.00007  -0.00926  -0.00670  -0.01596   0.59827
   D215      -0.58062  -0.00001  -0.02801  -0.04357  -0.07159  -0.65221
   D216       2.55703  -0.00015  -0.02930  -0.04358  -0.07288   2.48415
   D217       1.36835  -0.00009  -0.02900  -0.04223  -0.07124   1.29711
   D218      -1.77719  -0.00023  -0.03029  -0.04224  -0.07252  -1.84971
   D219      -2.71251   0.00025  -0.02886  -0.04253  -0.07139  -2.78390
   D220       0.42513   0.00012  -0.03014  -0.04253  -0.07267   0.35246
   D221       3.14048  -0.00019   0.00001  -0.00276  -0.00275   3.13773
   D222       0.00098  -0.00012   0.00165  -0.00078   0.00087   0.00185
   D223       0.00247  -0.00006   0.00117  -0.00276  -0.00159   0.00088
   D224      -3.13704   0.00000   0.00281  -0.00078   0.00203  -3.13501
   D225       3.13727   0.00017  -0.00094   0.00404   0.00311   3.14038
   D226      -0.00757   0.00006  -0.00199   0.00404   0.00205  -0.00552
   D227       0.00649   0.00003   0.00074  -0.00081  -0.00007   0.00642
   D228      -3.13700  -0.00003  -0.00075  -0.00261  -0.00336  -3.14036
   D229      -0.01227   0.00002  -0.00230   0.00399   0.00169  -0.01058
   D230       3.13377  -0.00002   0.00144  -0.00314  -0.00169   3.13208
   D231       0.01171  -0.00004   0.00253  -0.00473  -0.00220   0.00950
   D232      -3.13411  -0.00001  -0.00103   0.00204   0.00101  -3.13310
   D233      -0.24667  -0.00024  -0.05384  -0.09878  -0.15263  -0.39929
   D234       1.86216  -0.00082  -0.05696  -0.10490  -0.16185   1.70031
   D235      -2.33344  -0.00057  -0.05453  -0.10762  -0.16214  -2.49558
   D236      -2.41087   0.00018  -0.04958  -0.09741  -0.14701  -2.55788
   D237      -0.30205  -0.00041  -0.05270  -0.10354  -0.15624  -0.45828
   D238       1.78554  -0.00015  -0.05027  -0.10625  -0.15653   1.62902
   D239       1.79814   0.00021  -0.05211  -0.09750  -0.14962   1.64852
   D240      -2.37622  -0.00037  -0.05524  -0.10362  -0.15885  -2.53507
   D241      -0.28863  -0.00012  -0.05281  -0.10633  -0.15914  -0.44777
   D242       3.02825   0.00059   0.00196   0.00515   0.00710   3.03536
   D243      -1.17412   0.00064   0.00277   0.00646   0.00922  -1.16490
   D244       0.94982   0.00056   0.00184   0.00457   0.00640   0.95622
   D245      -1.05410  -0.00047  -0.00194   0.00215   0.00021  -1.05389
   D246       1.02671  -0.00042  -0.00113   0.00346   0.00233   1.02904
   D247      -3.13253  -0.00050  -0.00206   0.00157  -0.00049  -3.13302
   D248       1.01800   0.00015   0.00061   0.00184   0.00245   1.02045
   D249       3.09880   0.00019   0.00142   0.00315   0.00457   3.10337
   D250      -1.06044   0.00011   0.00049   0.00126   0.00175  -1.05869
   D251       0.00353  -0.00003   0.00037  -0.00239  -0.00202   0.00151
   D252       3.13717   0.00000   0.00003  -0.00260  -0.00257   3.13460
         Item               Value     Threshold  Converged?
 Maximum Force            0.003228     0.000450     NO 
 RMS     Force            0.000481     0.000300     NO 
 Maximum Displacement     0.319290     0.001800     NO 
 RMS     Displacement     0.070470     0.001200     NO 
 Predicted change in Energy=-3.469654D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -8.932681   -2.714234   -0.332574
      2          6           0       -8.907356   -1.246128   -0.769669
      3          6           0       -9.964243   -0.415899   -0.035388
      4          6           0       -7.545184   -0.664840   -0.555902
      5          7           0       -6.730595   -0.219187   -1.481915
      6          6           0       -5.511086    0.266280   -0.940197
      7          6           0       -4.493625    0.788971   -1.917974
      8          7           0       -4.086780    2.192162   -1.670544
      9          6           0       -5.127865    3.200893   -2.002366
     10          6           0       -3.181821    2.549153   -0.642449
     11          8           0       -3.024354    3.717360   -0.305265
     12          7           0       -2.423386    1.509110   -0.031020
     13          6           0       -1.193564    1.921357    0.687644
     14          6           0        0.017252    1.652205   -0.227303
     15          8           0        0.060825    0.682893   -0.977275
     16          7           0        1.036956    2.592126   -0.195417
     17          6           0        2.280710    2.403384   -0.991231
     18          6           0        2.749450    3.771289   -1.537711
     19          6           0        3.086781    4.780994   -0.475678
     20          6           0        2.109991    5.687008   -0.032969
     21          6           0        2.420309    6.627166    0.953045
     22          6           0        3.705021    6.672781    1.503106
     23          6           0        4.682073    5.776307    1.058804
     24          6           0        4.377655    4.834448    0.072581
     25          6           0        3.372361    1.712370   -0.148931
     26          6           0        2.988050    0.276347    0.230013
     27          8           0        2.531871    0.363773    1.596883
     28          6           0        4.208769   -0.694521    0.257957
     29          6           0        4.833338   -0.849730   -1.140308
     30          6           0        6.108787   -1.644155   -1.103429
     31          6           0        6.108180   -2.989005   -1.504545
     32          6           0        7.293091   -3.727863   -1.475180
     33          6           0        8.483827   -3.132310   -1.045828
     34          6           0        8.485923   -1.792505   -0.645553
     35          6           0        7.303808   -1.047617   -0.673138
     36          7           0        3.754479   -1.990759    0.830837
     37          6           0        3.100764   -2.961217    0.100949
     38          8           0        2.822608   -3.003144   -1.079697
     39          8           0        2.798000   -4.010463    0.982177
     40          6           0        1.894589   -5.029997    0.469176
     41          6           0        0.503675   -4.646742    0.794968
     42          6           0        0.015741   -4.041712    1.922337
     43          7           0       -1.374192   -3.802395    1.926802
     44          6           0       -1.950099   -4.222370    0.825738
     45         16           0       -0.802343   -4.937877   -0.319280
     46          6           0       -1.080930    1.120818    2.019667
     47          6           0       -0.751114   -0.358981    1.803729
     48          6           0       -0.052378    1.793325    2.933018
     49          6           0       -5.403987    0.185182    0.418183
     50         16           0       -6.849977   -0.511347    1.080879
     51          1           0       -9.882445   -3.187133   -0.610065
     52          1           0       -8.130128   -3.289837   -0.810224
     53          1           0       -8.819680   -2.827809    0.752048
     54          1           0       -9.129687   -1.202491   -1.874421
     55          1           0       -9.854597   -0.468938    1.054186
     56          1           0       -9.912686    0.642796   -0.319535
     57          1           0      -10.973940   -0.769374   -0.276438
     58          1           0       -3.592693    0.128966   -1.919931
     59          1           0       -4.906793    0.733883   -2.959617
     60          1           0       -5.262090    3.228493   -3.096113
     61          1           0       -4.804894    4.207854   -1.671309
     62          1           0       -6.097091    2.974426   -1.528649
     63          1           0       -2.321656    0.613383   -0.527809
     64          1           0       -1.278879    3.020552    0.933983
     65          1           0        1.054286    3.331872    0.505339
     66          1           0        2.023483    1.744406   -1.871307
     67          1           0        1.955274    4.174963   -2.205185
     68          1           0        3.621860    3.610949   -2.204369
     69          1           0        1.109161    5.666876   -0.463794
     70          1           0        1.657969    7.328321    1.291009
     71          1           0        3.944723    7.405291    2.270943
     72          1           0        5.685035    5.812970    1.481787
     73          1           0        5.146552    4.146647   -0.271843
     74          1           0        3.549363    2.284073    0.791534
     75          1           0        4.332513    1.738933   -0.697704
     76          1           0        2.168295   -0.129715   -0.410925
     77          1           0        1.709006   -0.186699    1.717818
     78          1           0        4.973344   -0.289460    0.976568
     79          1           0        4.096410   -1.326817   -1.834083
     80          1           0        5.022160    0.153822   -1.576422
     81          1           0        5.178627   -3.453742   -1.838921
     82          1           0        7.289002   -4.770772   -1.788041
     83          1           0        9.405312   -3.709516   -1.024427
     84          1           0        9.411705   -1.326902   -0.311987
     85          1           0        7.314067   -0.006112   -0.362313
     86          1           0        3.917057   -2.137062    1.826816
     87          1           0        2.229170   -5.927557    1.033462
     88          1           0        2.074768   -5.167734   -0.618400
     89          1           0        0.590414   -3.732261    2.790942
     90          1           0       -3.007670   -4.157345    0.600304
     91          1           0       -2.088045    1.186711    2.511389
     92          1           0       -1.033340   -0.712268    0.801858
     93          1           0        0.323665   -0.573199    1.918956
     94          1           0       -1.275800   -0.997786    2.526696
     95          1           0       -0.033912    1.311036    3.918389
     96          1           0        0.970814    1.732257    2.529870
     97          1           0       -0.279769    2.851055    3.104028
     98          1           0       -4.583363    0.494119    1.049002
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0627081      0.0303065      0.0222093
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3561.3733290452 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.246396030316     A.U. after   18 cycles
             Convg  =    0.7221D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000070099    0.000104702   -0.000097313
      2        6           0.000006724    0.000058033    0.000030726
      3        6           0.000043122    0.000076934   -0.000200184
      4        6           0.000018097   -0.000282593    0.000463814
      5        7          -0.000128629   -0.000066504   -0.000211556
      6        6          -0.000319931    0.000073548   -0.000241667
      7        6           0.000477105   -0.000173815    0.000579135
      8        7           0.000161313    0.001281062   -0.000682189
      9        6           0.000449356   -0.000168202    0.000093508
     10        6          -0.001345603   -0.001098101   -0.000167039
     11        8           0.000808827    0.000067994    0.000058918
     12        7           0.000613756    0.001226518    0.000415204
     13        6          -0.000681865   -0.000373662    0.000483236
     14        6          -0.000215595   -0.000125916   -0.000277122
     15        8           0.000054916   -0.000006442   -0.000218695
     16        7           0.000068311   -0.000486148    0.000349891
     17        6           0.000487848    0.000278348    0.000090869
     18        6          -0.000110237    0.000022149   -0.000134429
     19        6           0.000088686    0.000154613   -0.000041971
     20        6           0.000110682   -0.000108485    0.000079813
     21        6           0.000042514    0.000095867   -0.000018850
     22        6          -0.000066148   -0.000075177    0.000016723
     23        6           0.000011647   -0.000123217    0.000031868
     24        6          -0.000125211    0.000043667   -0.000056783
     25        6           0.000385710   -0.000016905    0.000625981
     26        6           0.000034068   -0.000300396   -0.000803589
     27        8           0.000521921    0.000505199    0.000601121
     28        6          -0.000115246   -0.000059608   -0.000444498
     29        6           0.000561009    0.000214923    0.000406006
     30        6           0.000032678    0.000084976    0.000124317
     31        6          -0.000115244   -0.000142921   -0.000141820
     32        6          -0.000046502   -0.000034312   -0.000005112
     33        6          -0.000019083    0.000034280    0.000007453
     34        6          -0.000058489   -0.000052859   -0.000008530
     35        6           0.000085840   -0.000049792   -0.000001056
     36        7          -0.000867882    0.000574502   -0.000076713
     37        6          -0.000376634   -0.000324668    0.000096077
     38        8           0.000245617    0.000014650   -0.000043255
     39        8           0.000045151   -0.000415728   -0.000021401
     40        6          -0.000115079    0.000466307    0.000127719
     41        6           0.000033886    0.000474245    0.000038312
     42        6           0.000161806   -0.000253118   -0.000197319
     43        7           0.000072054   -0.000429844    0.000036886
     44        6          -0.000280852    0.000428259   -0.000006631
     45       16           0.000251372   -0.000235154   -0.000055928
     46        6          -0.000094825   -0.000183832   -0.000147931
     47        6          -0.000132308   -0.000307603    0.000031362
     48        6           0.000315234    0.000150749    0.000139684
     49        6           0.000159991   -0.000203625    0.000386574
     50       16          -0.000118850    0.000114946   -0.000403339
     51        1           0.000069996   -0.000102860    0.000055955
     52        1          -0.000028174    0.000029917   -0.000030866
     53        1          -0.000076558   -0.000031633    0.000024869
     54        1          -0.000115443   -0.000001259   -0.000024305
     55        1           0.000055511   -0.000012971    0.000071293
     56        1          -0.000013687    0.000012165    0.000000600
     57        1           0.000027212   -0.000022767    0.000104950
     58        1           0.000007305    0.000000050    0.000054488
     59        1          -0.000097663    0.000030700   -0.000138914
     60        1          -0.000048009    0.000065954   -0.000072343
     61        1          -0.000003550    0.000054880    0.000007749
     62        1          -0.000008614   -0.000157944   -0.000120031
     63        1           0.000148873   -0.000243861    0.000023685
     64        1          -0.000118286   -0.000205352   -0.000102600
     65        1          -0.000169856    0.000262516    0.000199968
     66        1          -0.000078701    0.000070670    0.000242935
     67        1          -0.000060137   -0.000031252   -0.000073257
     68        1          -0.000079400    0.000078535   -0.000027424
     69        1          -0.000012824    0.000023770   -0.000026932
     70        1           0.000020612   -0.000015234    0.000009149
     71        1           0.000008799   -0.000006025    0.000005556
     72        1          -0.000009505    0.000014733   -0.000016296
     73        1           0.000008469   -0.000035759   -0.000027801
     74        1          -0.000217736    0.000261963   -0.000046461
     75        1          -0.000096480    0.000116324   -0.000032487
     76        1          -0.000189973   -0.000111873   -0.000311495
     77        1          -0.000196288   -0.000544201   -0.000369492
     78        1          -0.000197348    0.000105916   -0.000076912
     79        1          -0.000078896   -0.000358366    0.000285743
     80        1           0.000133542   -0.000109270    0.000040327
     81        1           0.000091814    0.000089925    0.000062022
     82        1           0.000016164    0.000021459    0.000002301
     83        1          -0.000016796   -0.000010739    0.000010988
     84        1           0.000011146   -0.000000553    0.000001311
     85        1          -0.000008911   -0.000030765    0.000006229
     86        1           0.000227469   -0.000106774   -0.000018692
     87        1           0.000043134   -0.000113509   -0.000121204
     88        1          -0.000044823    0.000030431    0.000079439
     89        1           0.000013739    0.000026339    0.000145247
     90        1           0.000078371   -0.000031350   -0.000042849
     91        1          -0.000087268    0.000043870   -0.000210602
     92        1           0.000099557   -0.000208545    0.000373366
     93        1           0.000091522    0.000359015   -0.000438958
     94        1           0.000009386    0.000034284   -0.000016286
     95        1          -0.000297514    0.000114917   -0.000039560
     96        1           0.000159691   -0.000090902    0.000082744
     97        1           0.000057060    0.000151862    0.000076964
     98        1          -0.000112060    0.000135724   -0.000192386
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001345603 RMS     0.000262570

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001064209 RMS     0.000198836
 Search for a local minimum.
 Step number  25 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   24   25
 DE= -3.26D-04 DEPred=-3.47D-04 R= 9.39D-01
 SS=  1.41D+00  RLast= 5.80D-01 DXNew= 2.7629D+00 1.7400D+00
 Trust test= 9.39D-01 RLast= 5.80D-01 DXMaxT set to 1.74D+00
     Eigenvalues ---    0.00051   0.00140   0.00237   0.00323   0.00437
     Eigenvalues ---    0.00476   0.00564   0.00610   0.00663   0.00715
     Eigenvalues ---    0.00765   0.00836   0.00913   0.00936   0.00948
     Eigenvalues ---    0.01034   0.01061   0.01086   0.01221   0.01236
     Eigenvalues ---    0.01275   0.01280   0.01392   0.01400   0.01415
     Eigenvalues ---    0.01441   0.01545   0.01560   0.01588   0.01637
     Eigenvalues ---    0.01747   0.01809   0.01841   0.01926   0.01946
     Eigenvalues ---    0.01986   0.02080   0.02182   0.02194   0.02200
     Eigenvalues ---    0.02203   0.02220   0.02258   0.02269   0.02289
     Eigenvalues ---    0.02308   0.02329   0.02374   0.02405   0.02408
     Eigenvalues ---    0.02414   0.02448   0.02482   0.02485   0.02490
     Eigenvalues ---    0.02527   0.02528   0.02650   0.02700   0.02764
     Eigenvalues ---    0.03302   0.03855   0.04025   0.04123   0.04173
     Eigenvalues ---    0.04238   0.04429   0.04502   0.04650   0.04779
     Eigenvalues ---    0.04913   0.04926   0.04968   0.05020   0.05135
     Eigenvalues ---    0.05212   0.05304   0.05387   0.05430   0.05462
     Eigenvalues ---    0.05528   0.05565   0.05597   0.05719   0.05750
     Eigenvalues ---    0.05788   0.05839   0.05914   0.05973   0.05994
     Eigenvalues ---    0.06221   0.06306   0.06465   0.06570   0.06909
     Eigenvalues ---    0.07142   0.07493   0.07534   0.07945   0.08107
     Eigenvalues ---    0.08618   0.08930   0.09582   0.09852   0.10310
     Eigenvalues ---    0.11936   0.12844   0.12936   0.13128   0.13396
     Eigenvalues ---    0.13770   0.13920   0.14321   0.15666   0.15803
     Eigenvalues ---    0.15867   0.15943   0.15963   0.15991   0.15998
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16003   0.16007
     Eigenvalues ---    0.16011   0.16025   0.16045   0.16061   0.16074
     Eigenvalues ---    0.16097   0.16113   0.16192   0.16583   0.16893
     Eigenvalues ---    0.17040   0.17449   0.17594   0.17958   0.18155
     Eigenvalues ---    0.18490   0.18887   0.19753   0.20294   0.21507
     Eigenvalues ---    0.21774   0.21820   0.21878   0.21927   0.22000
     Eigenvalues ---    0.22000   0.22004   0.22012   0.22181   0.22585
     Eigenvalues ---    0.22791   0.22876   0.23394   0.23468   0.23487
     Eigenvalues ---    0.23650   0.23732   0.24256   0.24401   0.24810
     Eigenvalues ---    0.24892   0.24965   0.24993   0.25012   0.25032
     Eigenvalues ---    0.25099   0.25208   0.25461   0.26060   0.28973
     Eigenvalues ---    0.29456   0.29551   0.29734   0.29865   0.30022
     Eigenvalues ---    0.30149   0.30241   0.30370   0.30721   0.30917
     Eigenvalues ---    0.31261   0.31343   0.31432   0.31458   0.31481
     Eigenvalues ---    0.31586   0.31666   0.31708   0.31764   0.31998
     Eigenvalues ---    0.32189   0.32322   0.32521   0.32561   0.32659
     Eigenvalues ---    0.32722   0.32774   0.32830   0.32921   0.32978
     Eigenvalues ---    0.33014   0.33051   0.33080   0.33152   0.33196
     Eigenvalues ---    0.33334   0.33401   0.33527   0.33568   0.33671
     Eigenvalues ---    0.33709   0.33913   0.33950   0.33979   0.34000
     Eigenvalues ---    0.34156   0.34234   0.34313   0.34336   0.34382
     Eigenvalues ---    0.34493   0.34549   0.34694   0.34848   0.35059
     Eigenvalues ---    0.35354   0.36104   0.36251   0.36313   0.36376
     Eigenvalues ---    0.36626   0.36752   0.36839   0.36960   0.37373
     Eigenvalues ---    0.37745   0.38493   0.39195   0.40102   0.41037
     Eigenvalues ---    0.41291   0.42443   0.42626   0.43052   0.43241
     Eigenvalues ---    0.43433   0.44005   0.44385   0.45137   0.45868
     Eigenvalues ---    0.47351   0.47568   0.48366   0.48430   0.48603
     Eigenvalues ---    0.48921   0.49179   0.49599   0.49977   0.50749
     Eigenvalues ---    0.50938   0.51242   0.51391   0.55402   0.56357
     Eigenvalues ---    0.58273   0.59295   0.62629   0.65184   0.76058
     Eigenvalues ---    0.78099   0.83707   1.141201000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    25   24   23   22   21
 RFO step:  Lambda=-6.12111493D-05.
 DIIS coeffs:      1.24488     -0.49950      0.35740      0.16580     -0.26857
 Iteration  1 RMS(Cart)=  0.10891781 RMS(Int)=  0.00112103
 Iteration  2 RMS(Cart)=  0.00348412 RMS(Int)=  0.00003211
 Iteration  3 RMS(Cart)=  0.00000388 RMS(Int)=  0.00003202
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003202
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89506  -0.00005  -0.00005  -0.00024  -0.00029   2.89477
    R2        2.07241  -0.00003   0.00012   0.00015   0.00027   2.07268
    R3        2.07316   0.00004   0.00000   0.00031   0.00032   2.07348
    R4        2.07188   0.00003  -0.00004  -0.00018  -0.00022   2.07166
    R5        2.89410   0.00008   0.00007   0.00036   0.00043   2.89452
    R6        2.82772   0.00009  -0.00009  -0.00005  -0.00013   2.82758
    R7        2.13113   0.00002  -0.00001  -0.00010  -0.00011   2.13102
    R8        2.07182   0.00007  -0.00005  -0.00002  -0.00007   2.07175
    R9        2.07374  -0.00001   0.00007  -0.00006   0.00001   2.07375
   R10        2.07228   0.00001  -0.00001   0.00002   0.00000   2.07228
   R11        2.47811   0.00022  -0.00017   0.00069   0.00052   2.47863
   R12        3.37300  -0.00021   0.00055  -0.00118  -0.00063   3.37238
   R13        2.68337  -0.00013   0.00001  -0.00109  -0.00108   2.68229
   R14        2.84370  -0.00051   0.00048  -0.00283  -0.00235   2.84134
   R15        2.57949   0.00001  -0.00005   0.00064   0.00059   2.58007
   R16        2.80017  -0.00010   0.00049   0.00043   0.00092   2.80109
   R17        2.11049   0.00001  -0.00003  -0.00033  -0.00036   2.11012
   R18        2.12017   0.00010  -0.00029   0.00044   0.00016   2.12033
   R19        2.81023   0.00038   0.00012   0.00073   0.00085   2.81109
   R20        2.67473   0.00106  -0.00149   0.00246   0.00097   2.67570
   R21        2.08304   0.00010  -0.00006   0.00029   0.00023   2.08327
   R22        2.09400  -0.00005   0.00003  -0.00074  -0.00070   2.09330
   R23        2.08307  -0.00011   0.00033  -0.00085  -0.00052   2.08255
   R24        2.31690   0.00013   0.00015  -0.00064  -0.00049   2.31641
   R25        2.69295   0.00046   0.00286   0.00151   0.00438   2.69732
   R26        2.80221   0.00105   0.00104   0.00230   0.00334   2.80555
   R27        1.94511  -0.00028   0.00149  -0.00059   0.00090   1.94601
   R28        2.91266  -0.00001  -0.00032   0.00012  -0.00020   2.91246
   R29        2.94448  -0.00017  -0.00053  -0.00145  -0.00198   2.94249
   R30        2.13480   0.00015   0.00021   0.00094   0.00115   2.13595
   R31        2.31746  -0.00004  -0.00007  -0.00040  -0.00046   2.31699
   R32        2.62139  -0.00019   0.00007  -0.00019  -0.00012   2.62126
   R33        2.81301  -0.00019   0.00041  -0.00050  -0.00009   2.81292
   R34        1.92584  -0.00029   0.00052  -0.00119  -0.00067   1.92516
   R35        2.92115   0.00023  -0.00006   0.00136   0.00129   2.92245
   R36        2.91451   0.00000   0.00016  -0.00108  -0.00093   2.91359
   R37        2.13376   0.00003  -0.00044   0.00006  -0.00038   2.13338
   R38        2.84164   0.00004  -0.00003  -0.00001  -0.00003   2.84161
   R39        2.10362   0.00000   0.00008   0.00049   0.00057   2.10419
   R40        2.09686   0.00009  -0.00020  -0.00024  -0.00044   2.09642
   R41        2.65301   0.00011  -0.00013   0.00033   0.00020   2.65321
   R42        2.65222   0.00013  -0.00003   0.00007   0.00005   2.65227
   R43        2.64050   0.00000   0.00004  -0.00013  -0.00008   2.64041
   R44        2.05943   0.00001   0.00006   0.00005   0.00012   2.05955
   R45        2.64233   0.00011  -0.00011   0.00018   0.00008   2.64241
   R46        2.05885   0.00002  -0.00001   0.00004   0.00004   2.05888
   R47        2.64271   0.00001   0.00002  -0.00007  -0.00005   2.64266
   R48        2.05590   0.00001  -0.00001   0.00001   0.00000   2.05590
   R49        2.64049   0.00011  -0.00011   0.00026   0.00015   2.64064
   R50        2.05815  -0.00001   0.00000  -0.00002  -0.00001   2.05813
   R51        2.05529  -0.00002   0.00001  -0.00019  -0.00017   2.05512
   R52        2.89902  -0.00092  -0.00014  -0.00213  -0.00227   2.89675
   R53        2.10656  -0.00030   0.00016  -0.00018  -0.00002   2.10654
   R54        2.09048   0.00009  -0.00032  -0.00049  -0.00081   2.08967
   R55        2.72807   0.00035  -0.00043  -0.00024  -0.00067   2.72741
   R56        2.94793   0.00027   0.00000   0.00292   0.00292   2.95085
   R57        2.11082  -0.00013  -0.00005  -0.00025  -0.00030   2.11053
   R58        1.88476  -0.00065   0.00093   0.00000   0.00093   1.88569
   R59        2.90878  -0.00103   0.00005  -0.00103  -0.00098   2.90780
   R60        2.81233  -0.00003   0.00010  -0.00054  -0.00044   2.81189
   R61        2.12546  -0.00004  -0.00019  -0.00118  -0.00137   2.12409
   R62        2.84040   0.00004   0.00003   0.00101   0.00104   2.84145
   R63        2.11447  -0.00041   0.00012  -0.00110  -0.00098   2.11349
   R64        2.09833   0.00002  -0.00037  -0.00027  -0.00064   2.09769
   R65        2.65203  -0.00006   0.00013  -0.00001   0.00012   2.65215
   R66        2.65174   0.00007  -0.00028  -0.00005  -0.00033   2.65141
   R67        2.63939   0.00006  -0.00024  -0.00002  -0.00027   2.63912
   R68        2.06306   0.00013   0.00031   0.00097   0.00128   2.06434
   R69        2.64351   0.00002   0.00012   0.00005   0.00017   2.64368
   R70        2.05760   0.00001  -0.00001   0.00005   0.00004   2.05764
   R71        2.64244   0.00003  -0.00018  -0.00005  -0.00023   2.64221
   R72        2.05517   0.00002  -0.00002   0.00006   0.00004   2.05521
   R73        2.64090   0.00005   0.00014   0.00023   0.00037   2.64127
   R74        2.05722  -0.00001  -0.00001  -0.00007  -0.00009   2.05713
   R75        2.05403   0.00002  -0.00006  -0.00012  -0.00017   2.05386
   R76        2.60609  -0.00035   0.00012  -0.00039  -0.00028   2.60581
   R77        1.92698   0.00005   0.00027   0.00059   0.00087   1.92784
   R78        2.29355   0.00004   0.00012  -0.00001   0.00012   2.29366
   R79        2.65178  -0.00001   0.00003   0.00040   0.00043   2.65221
   R80        2.75068   0.00040  -0.00018   0.00027   0.00009   2.75077
   R81        2.79505   0.00032  -0.00014   0.00058   0.00043   2.79548
   R82        2.10089  -0.00014   0.00011   0.00016   0.00027   2.10116
   R83        2.09943  -0.00002   0.00024  -0.00055  -0.00031   2.09912
   R84        2.58768   0.00031  -0.00010   0.00103   0.00093   2.58862
   R85        3.29051  -0.00004   0.00018  -0.00117  -0.00100   3.28951
   R86        2.66526  -0.00004   0.00015  -0.00065  -0.00050   2.66476
   R87        2.05319   0.00003  -0.00007   0.00012   0.00005   2.05324
   R88        2.47863   0.00030  -0.00026   0.00103   0.00078   2.47941
   R89        3.34880  -0.00014   0.00060  -0.00220  -0.00160   3.34719
   R90        2.04711   0.00006  -0.00005   0.00023   0.00018   2.04729
   R91        2.89394  -0.00014  -0.00028  -0.00107  -0.00135   2.89259
   R92        2.89344  -0.00035  -0.00023  -0.00023  -0.00046   2.89298
   R93        2.12156  -0.00015   0.00011  -0.00106  -0.00095   2.12061
   R94        2.07716  -0.00037  -0.00056  -0.00336  -0.00392   2.07323
   R95        2.08240  -0.00026   0.00048  -0.00252  -0.00204   2.08036
   R96        2.07530   0.00000  -0.00026  -0.00015  -0.00041   2.07489
   R97        2.07345  -0.00007  -0.00017  -0.00079  -0.00096   2.07249
   R98        2.08143  -0.00017  -0.00021   0.00023   0.00002   2.08145
   R99        2.06987  -0.00011  -0.00005   0.00013   0.00008   2.06996
   R100       3.28139  -0.00023   0.00029  -0.00174  -0.00144   3.27994
   R101       2.04125  -0.00011   0.00035  -0.00042  -0.00007   2.04118
    A1        1.93409  -0.00001  -0.00001   0.00019   0.00018   1.93427
    A2        1.94602  -0.00002  -0.00012  -0.00073  -0.00084   1.94517
    A3        1.96039   0.00001   0.00028   0.00042   0.00069   1.96108
    A4        1.87249   0.00004  -0.00005   0.00002  -0.00004   1.87245
    A5        1.87015  -0.00002  -0.00035  -0.00015  -0.00050   1.86965
    A6        1.87650  -0.00001   0.00023   0.00026   0.00050   1.87700
    A7        1.95120  -0.00002  -0.00032   0.00014  -0.00018   1.95102
    A8        1.92469   0.00000   0.00031   0.00028   0.00060   1.92529
    A9        1.88948   0.00000  -0.00025  -0.00068  -0.00094   1.88854
   A10        1.92744   0.00003   0.00011  -0.00028  -0.00017   1.92727
   A11        1.88878   0.00001   0.00025   0.00043   0.00068   1.88946
   A12        1.88008  -0.00002  -0.00011   0.00011   0.00000   1.88008
   A13        1.96194   0.00003  -0.00033  -0.00067  -0.00100   1.96094
   A14        1.94596  -0.00002   0.00028   0.00038   0.00066   1.94662
   A15        1.93401   0.00004  -0.00009   0.00008  -0.00001   1.93400
   A16        1.87476   0.00000   0.00011   0.00059   0.00069   1.87545
   A17        1.87019  -0.00008   0.00038   0.00013   0.00051   1.87070
   A18        1.87268   0.00002  -0.00034  -0.00049  -0.00083   1.87184
   A19        2.21007  -0.00009   0.00003  -0.00114  -0.00111   2.20896
   A20        2.11644   0.00009   0.00000   0.00114   0.00114   2.11758
   A21        1.95668   0.00000  -0.00003   0.00000  -0.00003   1.95664
   A22        1.96089  -0.00014   0.00007  -0.00064  -0.00057   1.96032
   A23        2.03930   0.00028   0.00038   0.00317   0.00354   2.04284
   A24        2.01166   0.00010   0.00009   0.00057   0.00066   2.01231
   A25        2.23216  -0.00038  -0.00047  -0.00373  -0.00421   2.22796
   A26        1.98894  -0.00025  -0.00045  -0.00210  -0.00255   1.98639
   A27        1.91910  -0.00010   0.00023  -0.00352  -0.00330   1.91580
   A28        1.91475   0.00031  -0.00048   0.00612   0.00564   1.92039
   A29        1.91604   0.00009   0.00085  -0.00117  -0.00034   1.91570
   A30        1.87825   0.00002  -0.00037  -0.00011  -0.00049   1.87777
   A31        1.84048  -0.00004   0.00027   0.00119   0.00146   1.84194
   A32        1.99639   0.00058  -0.00023   0.00072   0.00043   1.99682
   A33        2.13610  -0.00061   0.00197  -0.00673  -0.00480   2.13130
   A34        2.02483  -0.00005   0.00057  -0.00354  -0.00302   2.02181
   A35        1.90036  -0.00007   0.00101  -0.00141  -0.00040   1.89996
   A36        1.92378  -0.00004  -0.00034  -0.00075  -0.00109   1.92269
   A37        1.96092   0.00019  -0.00035   0.00088   0.00053   1.96145
   A38        1.88513   0.00000   0.00013  -0.00054  -0.00041   1.88472
   A39        1.90127   0.00001  -0.00064   0.00061  -0.00002   1.90125
   A40        1.89081  -0.00010   0.00020   0.00117   0.00137   1.89218
   A41        2.12022  -0.00035  -0.00002   0.00073   0.00046   2.12069
   A42        2.05766  -0.00035   0.00085  -0.00266  -0.00206   2.05560
   A43        2.10487   0.00072  -0.00092   0.00315   0.00199   2.10686
   A44        2.03358   0.00037  -0.00128  -0.00175  -0.00316   2.03042
   A45        2.07217  -0.00013  -0.00233  -0.00405  -0.00652   2.06565
   A46        1.97564  -0.00016  -0.00101  -0.00330  -0.00447   1.97117
   A47        1.89155   0.00018  -0.00051   0.00145   0.00094   1.89249
   A48        1.90861  -0.00011  -0.00056   0.00111   0.00055   1.90916
   A49        1.88973   0.00003   0.00057  -0.00110  -0.00053   1.88920
   A50        1.94009  -0.00018   0.00045   0.00107   0.00152   1.94162
   A51        1.93765  -0.00007   0.00053  -0.00184  -0.00131   1.93634
   A52        1.89542   0.00015  -0.00048  -0.00071  -0.00119   1.89423
   A53        2.12817  -0.00013  -0.00084   0.00183   0.00098   2.12915
   A54        2.03253   0.00043   0.00068  -0.00150  -0.00084   2.03169
   A55        2.12175  -0.00030  -0.00002  -0.00035  -0.00040   2.12136
   A56        2.11296  -0.00095  -0.00084   0.00077  -0.00006   2.11290
   A57        2.11781   0.00050   0.00055   0.00055   0.00110   2.11892
   A58        2.03246   0.00044   0.00029  -0.00041  -0.00012   2.03234
   A59        1.90727   0.00041  -0.00082  -0.00119  -0.00201   1.90526
   A60        1.93503  -0.00022   0.00114   0.00059   0.00173   1.93677
   A61        1.87585  -0.00015  -0.00053   0.00064   0.00010   1.87596
   A62        1.95511  -0.00012  -0.00036  -0.00038  -0.00074   1.95437
   A63        1.88597  -0.00005  -0.00018   0.00022   0.00003   1.88600
   A64        1.90226   0.00014   0.00072   0.00016   0.00088   1.90315
   A65        1.99603   0.00002   0.00002   0.00008   0.00010   1.99613
   A66        1.89287   0.00000  -0.00040  -0.00069  -0.00109   1.89178
   A67        1.89963   0.00000   0.00023   0.00046   0.00069   1.90031
   A68        1.91774  -0.00004  -0.00005  -0.00064  -0.00069   1.91705
   A69        1.92301   0.00003  -0.00001   0.00092   0.00091   1.92392
   A70        1.82665  -0.00003   0.00023  -0.00017   0.00006   1.82671
   A71        2.09435   0.00005  -0.00022   0.00005  -0.00018   2.09417
   A72        2.10342   0.00000   0.00010   0.00005   0.00015   2.10357
   A73        2.08538  -0.00005   0.00012  -0.00010   0.00002   2.08540
   A74        2.09697   0.00002  -0.00008  -0.00001  -0.00009   2.09688
   A75        2.09714  -0.00004   0.00010  -0.00018  -0.00008   2.09706
   A76        2.08903   0.00002  -0.00002   0.00019   0.00017   2.08920
   A77        2.09856   0.00002   0.00000   0.00013   0.00012   2.09868
   A78        2.09038   0.00000  -0.00007   0.00005  -0.00002   2.09036
   A79        2.09425  -0.00002   0.00007  -0.00018  -0.00011   2.09414
   A80        2.08982  -0.00001   0.00003  -0.00009  -0.00006   2.08976
   A81        2.09676   0.00000   0.00006   0.00005   0.00012   2.09687
   A82        2.09660   0.00001  -0.00009   0.00003  -0.00006   2.09654
   A83        2.09917   0.00000   0.00000   0.00004   0.00004   2.09922
   A84        2.09257   0.00002  -0.00003   0.00017   0.00014   2.09271
   A85        2.09144  -0.00002   0.00003  -0.00021  -0.00018   2.09126
   A86        2.09644   0.00001  -0.00006   0.00002  -0.00005   2.09639
   A87        2.09721   0.00002  -0.00003   0.00004   0.00001   2.09722
   A88        2.08952  -0.00003   0.00009  -0.00006   0.00004   2.08955
   A89        1.95734  -0.00014   0.00058   0.00124   0.00182   1.95915
   A90        1.92129   0.00013  -0.00063   0.00102   0.00038   1.92167
   A91        1.90992   0.00004   0.00036  -0.00103  -0.00067   1.90925
   A92        1.88752  -0.00013  -0.00105   0.00169   0.00064   1.88815
   A93        1.94169   0.00013   0.00049  -0.00173  -0.00124   1.94045
   A94        1.84252  -0.00002   0.00019  -0.00127  -0.00108   1.84144
   A95        1.83004  -0.00024  -0.00038   0.00196   0.00158   1.83163
   A96        1.97248   0.00039   0.00012  -0.00227  -0.00215   1.97033
   A97        1.96319  -0.00019   0.00020  -0.00151  -0.00131   1.96188
   A98        1.84211   0.00002   0.00209   0.00148   0.00358   1.84569
   A99        1.91071   0.00011  -0.00085   0.00112   0.00028   1.91099
   A100       1.93726  -0.00009  -0.00106  -0.00032  -0.00138   1.93588
   A101       1.91993   0.00025  -0.00078   0.00049  -0.00029   1.91965
   A102       1.94335  -0.00003  -0.00142  -0.00304  -0.00445   1.93891
   A103       1.88609  -0.00026  -0.00179   0.00089  -0.00089   1.88521
   A104       1.89574   0.00021   0.00158   0.00334   0.00492   1.90065
   A105       1.96678   0.00020   0.00280   0.00047   0.00326   1.97004
   A106       1.91864  -0.00013  -0.00097  -0.00177  -0.00274   1.91590
   A107       1.84964   0.00002  -0.00016   0.00046   0.00031   1.84994
   A108       1.95553  -0.00002   0.00028   0.00090   0.00118   1.95671
   A109       1.91665  -0.00007   0.00037   0.00071   0.00108   1.91773
   A110       1.91203  -0.00014  -0.00041  -0.00146  -0.00188   1.91015
   A111       1.92700   0.00012  -0.00022   0.00022   0.00000   1.92701
   A112       1.92092   0.00003  -0.00030  -0.00233  -0.00263   1.91829
   A113       1.82743   0.00009   0.00028   0.00199   0.00228   1.82971
   A114       2.09336   0.00022  -0.00023   0.00094   0.00072   2.09408
   A115       2.10074  -0.00020   0.00011  -0.00103  -0.00093   2.09981
   A116       2.08908  -0.00002   0.00012   0.00009   0.00021   2.08929
   A117       2.09504   0.00001  -0.00004  -0.00013  -0.00018   2.09486
   A118       2.08960  -0.00001  -0.00033  -0.00048  -0.00080   2.08880
   A119       2.09855   0.00000   0.00037   0.00061   0.00098   2.09953
   A120       2.09829   0.00003  -0.00002   0.00019   0.00017   2.09845
   A121       2.09147  -0.00004   0.00010  -0.00031  -0.00021   2.09126
   A122       2.09343   0.00001  -0.00008   0.00012   0.00004   2.09347
   A123       2.09100  -0.00002   0.00002  -0.00011  -0.00009   2.09090
   A124       2.09591   0.00002  -0.00010   0.00021   0.00012   2.09603
   A125       2.09627   0.00000   0.00008  -0.00010  -0.00002   2.09625
   A126       2.09878  -0.00002   0.00002   0.00001   0.00002   2.09880
   A127       2.09299   0.00002   0.00006  -0.00002   0.00004   2.09303
   A128       2.09142   0.00000  -0.00008   0.00001  -0.00007   2.09135
   A129       2.09419   0.00002  -0.00009  -0.00003  -0.00013   2.09406
   A130       2.09794   0.00001   0.00018   0.00043   0.00061   2.09855
   A131       2.09105  -0.00003  -0.00008  -0.00040  -0.00048   2.09057
   A132       2.15782   0.00019   0.00246   0.00141   0.00357   2.16139
   A133       2.04012  -0.00019  -0.00161  -0.00274  -0.00465   2.03546
   A134       2.08467  -0.00002  -0.00105   0.00009  -0.00127   2.08340
   A135       2.27548   0.00005   0.00124   0.00078   0.00199   2.27747
   A136       1.87138  -0.00007  -0.00136  -0.00058  -0.00197   1.86941
   A137       2.13602   0.00003  -0.00006   0.00011   0.00002   2.13605
   A138       2.02228  -0.00020   0.00073   0.00015   0.00087   2.02316
   A139       1.90131  -0.00082  -0.00261  -0.00193  -0.00454   1.89678
   A140       1.77196   0.00017   0.00061   0.00117   0.00178   1.77374
   A141       1.90836   0.00031   0.00123   0.00090   0.00214   1.91050
   A142       1.96103   0.00027   0.00051   0.00095   0.00145   1.96249
   A143       1.98261   0.00014   0.00061   0.00106   0.00168   1.98428
   A144       1.92621  -0.00008  -0.00038  -0.00215  -0.00254   1.92367
   A145       2.25353  -0.00031  -0.00018  -0.00123  -0.00142   2.25212
   A146       2.11889   0.00038   0.00009   0.00135   0.00143   2.12032
   A147       1.91075  -0.00007   0.00008  -0.00013  -0.00005   1.91070
   A148       2.01389   0.00006   0.00007  -0.00032  -0.00025   2.01364
   A149       2.20875   0.00001   0.00019  -0.00027  -0.00008   2.20868
   A150       2.06053  -0.00006  -0.00026   0.00059   0.00033   2.06086
   A151       1.95597  -0.00012  -0.00003  -0.00025  -0.00028   1.95569
   A152       1.96850   0.00006   0.00007   0.00014   0.00021   1.96872
   A153       2.19460  -0.00008   0.00025  -0.00103  -0.00077   2.19383
   A154       2.12008   0.00001  -0.00033   0.00088   0.00055   2.12063
   A155       1.57561   0.00008  -0.00019   0.00054   0.00034   1.57595
   A156       1.97304  -0.00024  -0.00031  -0.00165  -0.00196   1.97108
   A157       1.91012   0.00025  -0.00039   0.00173   0.00133   1.91145
   A158       1.85399   0.00005   0.00004   0.00279   0.00283   1.85683
   A159       1.94320   0.00000  -0.00060  -0.00220  -0.00280   1.94040
   A160       1.88775   0.00007   0.00019   0.00004   0.00024   1.88799
   A161       1.89184  -0.00013   0.00119  -0.00048   0.00070   1.89255
   A162       1.96471   0.00011  -0.00133  -0.00274  -0.00407   1.96063
   A163       1.96401   0.00011  -0.00038   0.00104   0.00066   1.96467
   A164       1.94589   0.00000  -0.00034  -0.00003  -0.00037   1.94552
   A165       1.85798  -0.00020   0.00041  -0.00319  -0.00279   1.85519
   A166       1.86545  -0.00014   0.00168   0.00726   0.00893   1.87438
   A167       1.85883   0.00010   0.00017  -0.00214  -0.00196   1.85687
   A168       1.93259   0.00001  -0.00007   0.00002  -0.00006   1.93253
   A169       1.96204   0.00017  -0.00070   0.00058  -0.00012   1.96192
   A170       1.95823  -0.00017   0.00021   0.00007   0.00028   1.95852
   A171       1.86367  -0.00016   0.00107   0.00064   0.00171   1.86537
   A172       1.86267   0.00012   0.00003   0.00052   0.00055   1.86322
   A173       1.87920   0.00002  -0.00046  -0.00184  -0.00230   1.87690
   A174       1.91589  -0.00005  -0.00001  -0.00050  -0.00051   1.91538
   A175       2.24436  -0.00021   0.00020  -0.00338  -0.00318   2.24118
   A176       2.12290   0.00026  -0.00020   0.00388   0.00369   2.12659
   A177       1.57966   0.00008  -0.00012   0.00057   0.00045   1.58011
    D1        1.12462  -0.00008  -0.00918  -0.02343  -0.03261   1.09201
    D2       -3.00709  -0.00005  -0.00904  -0.02349  -0.03252  -3.03962
    D3       -0.95426  -0.00007  -0.00914  -0.02360  -0.03274  -0.98700
    D4       -3.07408  -0.00005  -0.00933  -0.02376  -0.03309  -3.10717
    D5       -0.92261  -0.00002  -0.00918  -0.02382  -0.03301  -0.95562
    D6        1.13022  -0.00004  -0.00929  -0.02394  -0.03322   1.09700
    D7       -0.96648  -0.00006  -0.00892  -0.02365  -0.03257  -0.99905
    D8        1.18499  -0.00003  -0.00877  -0.02371  -0.03248   1.15251
    D9       -3.04536  -0.00006  -0.00887  -0.02382  -0.03270  -3.07806
   D10        0.99165   0.00000  -0.00952  -0.00861  -0.01812   0.97353
   D11        3.09806   0.00001  -0.00942  -0.00805  -0.01747   3.08059
   D12       -1.10049   0.00005  -0.00972  -0.00837  -0.01809  -1.11859
   D13       -1.15826  -0.00001  -0.00978  -0.00886  -0.01864  -1.17691
   D14        0.94814   0.00000  -0.00968  -0.00831  -0.01799   0.93015
   D15        3.03278   0.00004  -0.00998  -0.00863  -0.01861   3.01417
   D16        3.07094  -0.00001  -0.00986  -0.00909  -0.01895   3.05199
   D17       -1.10583   0.00000  -0.00976  -0.00854  -0.01830  -1.12413
   D18        0.97880   0.00004  -0.01006  -0.00886  -0.01892   0.95988
   D19        2.02553   0.00002   0.00410   0.00090   0.00499   2.03053
   D20       -1.11543   0.00001   0.00514  -0.00150   0.00365  -1.11178
   D21       -2.09241   0.00002   0.00399   0.00107   0.00506  -2.08734
   D22        1.04982   0.00001   0.00503  -0.00132   0.00371   1.05353
   D23       -0.03309   0.00004   0.00429   0.00150   0.00579  -0.02730
   D24        3.10914   0.00002   0.00533  -0.00089   0.00444   3.11358
   D25       -3.13996   0.00001   0.00073  -0.00060   0.00013  -3.13983
   D26        0.00105   0.00002  -0.00024   0.00161   0.00137   0.00242
   D27        3.13954  -0.00002  -0.00052   0.00007  -0.00045   3.13910
   D28       -0.00150  -0.00004   0.00039  -0.00200  -0.00162  -0.00312
   D29        3.12998   0.00001  -0.00059  -0.00035  -0.00095   3.12904
   D30        0.00014   0.00001  -0.00010  -0.00021  -0.00031  -0.00016
   D31        2.14064   0.00007  -0.00781   0.00556  -0.00226   2.13838
   D32       -1.98298  -0.00008  -0.00686  -0.00026  -0.00711  -1.99009
   D33        0.03358  -0.00001  -0.00667   0.00267  -0.00400   0.02957
   D34       -1.01442   0.00008  -0.00837   0.00544  -0.00294  -1.01736
   D35        1.14514  -0.00006  -0.00742  -0.00038  -0.00779   1.13735
   D36       -3.12149   0.00001  -0.00723   0.00255  -0.00469  -3.12617
   D37       -0.00127  -0.00003   0.00039  -0.00132  -0.00093  -0.00220
   D38       -3.13360  -0.00002   0.00022  -0.00115  -0.00092  -3.13453
   D39       -3.12958  -0.00005   0.00094  -0.00121  -0.00027  -3.12985
   D40        0.02128  -0.00004   0.00077  -0.00104  -0.00027   0.02101
   D41       -1.25259  -0.00018   0.00425   0.00847   0.01272  -1.23987
   D42        1.34923  -0.00034   0.00884  -0.01121  -0.00237   1.34687
   D43        2.86938   0.00007   0.00363   0.01555   0.01918   2.88855
   D44       -0.81198  -0.00009   0.00822  -0.00413   0.00409  -0.80790
   D45        0.87474   0.00006   0.00308   0.01481   0.01789   0.89263
   D46       -2.80662  -0.00010   0.00767  -0.00487   0.00280  -2.80382
   D47       -1.20404  -0.00018   0.00800  -0.00124   0.00675  -1.19729
   D48        3.01424  -0.00012   0.00744   0.00070   0.00813   3.02237
   D49        0.90363  -0.00010   0.00766  -0.00087   0.00679   0.91042
   D50        2.44152   0.00016   0.00323   0.01827   0.02152   2.46304
   D51        0.37662   0.00022   0.00267   0.02022   0.02290   0.39951
   D52       -1.73399   0.00025   0.00290   0.01865   0.02156  -1.71243
   D53       -2.92774   0.00034  -0.01019   0.03128   0.02106  -2.90669
   D54        0.24529  -0.00029  -0.00656  -0.01314  -0.01971   0.22559
   D55       -0.33401   0.00035  -0.00576   0.01248   0.00673  -0.32727
   D56        2.83903  -0.00028  -0.00213  -0.03194  -0.03403   2.80500
   D57        2.79397   0.00033   0.00017   0.03172   0.03194   2.82591
   D58        0.33582   0.00028   0.00765   0.04637   0.05399   0.38981
   D59       -0.31647  -0.00028   0.00375  -0.01224  -0.00846  -0.32493
   D60       -2.77462  -0.00033   0.01123   0.00240   0.01359  -2.76103
   D61       -1.74848  -0.00006   0.00482   0.02411   0.02892  -1.71957
   D62        2.41723   0.00011   0.00492   0.02124   0.02615   2.44338
   D63        0.35487  -0.00003   0.00548   0.02210   0.02757   0.38244
   D64        0.74655  -0.00002  -0.00273   0.00993   0.00721   0.75376
   D65       -1.37092   0.00016  -0.00263   0.00706   0.00444  -1.36648
   D66        2.84990   0.00002  -0.00206   0.00792   0.00586   2.85576
   D67       -0.62434   0.00006  -0.00341   0.00300  -0.00041  -0.62476
   D68        2.47683  -0.00002  -0.00962   0.00247  -0.00715   2.46968
   D69        1.47361  -0.00007  -0.00416   0.00596   0.00180   1.47541
   D70       -1.70840  -0.00015  -0.01036   0.00542  -0.00494  -1.71334
   D71       -2.69763  -0.00005  -0.00410   0.00453   0.00043  -2.69721
   D72        0.40354  -0.00013  -0.01031   0.00400  -0.00631   0.39723
   D73        1.23252   0.00001   0.00659   0.00846   0.01505   1.24758
   D74       -2.87397   0.00003   0.00528   0.00571   0.01099  -2.86298
   D75       -0.83502   0.00002   0.00650   0.00754   0.01404  -0.82098
   D76       -0.85529  -0.00004   0.00731   0.00527   0.01258  -0.84271
   D77        1.32140  -0.00002   0.00600   0.00253   0.00852   1.32991
   D78       -2.92283  -0.00002   0.00722   0.00435   0.01157  -2.91127
   D79       -2.99186   0.00007   0.00668   0.00736   0.01404  -2.97782
   D80       -0.81517   0.00009   0.00537   0.00462   0.00998  -0.80519
   D81        1.22379   0.00008   0.00659   0.00644   0.01303   1.23681
   D82        3.09315  -0.00013   0.00465   0.00398   0.00863   3.10178
   D83        0.17243  -0.00019   0.00448  -0.00097   0.00351   0.17594
   D84       -0.08870  -0.00020  -0.00155   0.00351   0.00196  -0.08674
   D85       -3.00942  -0.00027  -0.00172  -0.00145  -0.00316  -3.01258
   D86        2.49228  -0.00036  -0.00784  -0.02873  -0.03656   2.45571
   D87       -1.62762  -0.00039  -0.00809  -0.02963  -0.03772  -1.66535
   D88        0.44975  -0.00044  -0.00688  -0.02871  -0.03559   0.41416
   D89       -0.85986  -0.00028  -0.00765  -0.02389  -0.03154  -0.89140
   D90        1.30342  -0.00031  -0.00789  -0.02480  -0.03269   1.27073
   D91       -2.90239  -0.00036  -0.00669  -0.02388  -0.03057  -2.93296
   D92        1.07180  -0.00006   0.00295   0.00451   0.00746   1.07926
   D93       -1.07494  -0.00003   0.00330   0.00580   0.00911  -1.06583
   D94       -3.05262   0.00000   0.00313   0.00612   0.00925  -3.04337
   D95       -1.07962   0.00002   0.00232   0.00486   0.00718  -1.07244
   D96        3.05683   0.00005   0.00267   0.00615   0.00883   3.06566
   D97        1.07914   0.00008   0.00250   0.00647   0.00897   1.08811
   D98        3.10792  -0.00004   0.00176   0.00476   0.00652   3.11444
   D99        0.96119  -0.00001   0.00212   0.00605   0.00817   0.96935
   D100      -1.01650   0.00002   0.00194   0.00636   0.00831  -1.00819
   D101       1.14563  -0.00038  -0.00271   0.01074   0.00804   1.15367
   D102      -0.95667  -0.00021  -0.00132   0.00709   0.00576  -0.95090
   D103      -2.97415  -0.00028  -0.00141   0.00863   0.00723  -2.96692
   D104      -3.00187  -0.00010  -0.00319   0.00937   0.00618  -2.99569
   D105       1.17902   0.00007  -0.00181   0.00571   0.00390   1.18292
   D106      -0.83846   0.00000  -0.00190   0.00726   0.00536  -0.83310
   D107      -0.91576  -0.00015  -0.00318   0.00951   0.00633  -0.90943
   D108      -3.01806   0.00002  -0.00179   0.00585   0.00406  -3.01400
   D109       1.24764  -0.00005  -0.00188   0.00740   0.00552   1.25317
   D110      -1.62453   0.00009  -0.00134   0.00780   0.00646  -1.61807
   D111       1.52621   0.00009  -0.00117   0.00824   0.00708   1.53329
   D112       0.50870   0.00008  -0.00189   0.00648   0.00458   0.51328
   D113      -2.62375   0.00009  -0.00172   0.00692   0.00520  -2.61855
   D114       2.51250   0.00005  -0.00165   0.00643   0.00478   2.51727
   D115      -0.61995   0.00005  -0.00148   0.00687   0.00539  -0.61456
   D116      -3.14080  -0.00002   0.00052  -0.00041   0.00010  -3.14069
   D117      -0.00990  -0.00001   0.00081  -0.00036   0.00045  -0.00944
   D118      -0.00825  -0.00002   0.00035  -0.00085  -0.00050  -0.00876
   D119       3.12265  -0.00001   0.00064  -0.00079  -0.00016   3.12249
   D120       3.14131   0.00001  -0.00038   0.00030  -0.00008   3.14122
   D121       0.00525   0.00002  -0.00022   0.00108   0.00086   0.00610
   D122       0.00881   0.00001  -0.00021   0.00074   0.00053   0.00934
   D123      -3.12725   0.00002  -0.00004   0.00151   0.00147  -3.12578
   D124       0.00165   0.00001  -0.00023   0.00042   0.00020   0.00184
   D125       3.14003   0.00001  -0.00025   0.00033   0.00009   3.14011
   D126      -3.12930   0.00001  -0.00051   0.00036  -0.00015  -3.12945
   D127       0.00908   0.00001  -0.00054   0.00028  -0.00026   0.00882
   D128       0.00444   0.00000  -0.00004   0.00013   0.00009   0.00453
   D129      -3.14128   0.00000  -0.00008  -0.00018  -0.00026  -3.14154
   D130      -3.13393   0.00000  -0.00001   0.00021   0.00020  -3.13373
   D131       0.00354   0.00000  -0.00006  -0.00009  -0.00015   0.00339
   D132      -0.00388  -0.00001   0.00018  -0.00024  -0.00007  -0.00394
   D133       3.13606  -0.00001   0.00016  -0.00043  -0.00027   3.13579
   D134      -3.14135   0.00000   0.00022   0.00007   0.00028  -3.14106
   D135      -0.00141  -0.00001   0.00020  -0.00012   0.00008  -0.00133
   D136      -0.00277   0.00000  -0.00005  -0.00019  -0.00025  -0.00302
   D137       3.13331  -0.00001  -0.00022  -0.00097  -0.00118   3.13213
   D138       3.14047   0.00001  -0.00004  -0.00001  -0.00004   3.14043
   D139      -0.00663   0.00000  -0.00020  -0.00078  -0.00098  -0.00761
   D140      -1.76145   0.00012   0.00876   0.02806   0.03681  -1.72464
   D141       2.52420   0.00005   0.00643   0.02624   0.03267   2.55687
   D142       0.31349   0.00001   0.00761   0.02982   0.03743   0.35092
   D143       0.36032   0.00011   0.00761   0.03126   0.03888   0.39919
   D144      -1.63722   0.00003   0.00529   0.02944   0.03474  -1.60248
   D145       2.43526  -0.00001   0.00647   0.03303   0.03950   2.47476
   D146       2.37616   0.00007   0.00751   0.02977   0.03728   2.41343
   D147       0.37863   0.00000   0.00518   0.02795   0.03313   0.41176
   D148      -1.83208  -0.00004   0.00636   0.03154   0.03789  -1.79419
   D149       2.39322  -0.00033   0.00143   0.00460   0.00603   2.39925
   D150      -1.80292   0.00001   0.00236   0.00364   0.00600  -1.79693
   D151       0.28326  -0.00002   0.00186   0.00468   0.00653   0.28979
   D152      -1.11940  -0.00012  -0.01446  -0.02863  -0.04307  -1.16247
   D153       2.99489  -0.00017  -0.01579  -0.02783  -0.04363   2.95126
   D154       0.99573  -0.00016  -0.01550  -0.03054  -0.04605   0.94968
   D155      -3.10965  -0.00004  -0.01528  -0.03073  -0.04600   3.12754
   D156       1.00464  -0.00009  -0.01662  -0.02993  -0.04656   0.95808
   D157      -0.99452  -0.00009  -0.01633  -0.03264  -0.04898  -1.04350
   D158       1.10500  -0.00014  -0.01496  -0.03277  -0.04771   1.05729
   D159      -1.06389  -0.00019  -0.01629  -0.03197  -0.04827  -1.11216
   D160      -3.06305  -0.00018  -0.01600  -0.03468  -0.05069  -3.11375
   D161       3.01852  -0.00002   0.00460  -0.00371   0.00089   3.01942
   D162      -1.11651   0.00007   0.00477  -0.00229   0.00249  -1.11402
   D163       0.88143   0.00006   0.00509  -0.00032   0.00478   0.88620
   D164      -1.14204  -0.00024   0.00325  -0.00444  -0.00119  -1.14322
   D165       1.00612  -0.00015   0.00343  -0.00301   0.00041   1.00653
   D166       3.00406  -0.00016   0.00375  -0.00105   0.00270   3.00675
   D167       0.91683  -0.00017   0.00418  -0.00474  -0.00057   0.91626
   D168       3.06498  -0.00009   0.00435  -0.00332   0.00103   3.06601
   D169      -1.22026  -0.00010   0.00467  -0.00135   0.00331  -1.21695
   D170       1.42599  -0.00050  -0.00036   0.00124   0.00090   1.42689
   D171      -1.67868   0.00004   0.00620   0.04077   0.04694  -1.63174
   D172      -0.72879  -0.00041   0.00083   0.00416   0.00502  -0.72376
   D173       2.44972   0.00013   0.00739   0.04369   0.05107   2.50079
   D174      -2.82781  -0.00037   0.00053   0.00576   0.00631  -2.82150
   D175       0.35070   0.00017   0.00709   0.04529   0.05235   0.40306
   D176       1.78249   0.00009   0.00029   0.00679   0.00708   1.78957
   D177      -1.36225   0.00008  -0.00003   0.00487   0.00484  -1.35740
   D178      -0.35980   0.00011  -0.00022   0.00508   0.00486  -0.35494
   D179       2.77864   0.00010  -0.00054   0.00316   0.00263   2.78127
   D180      -2.36867  -0.00009  -0.00026   0.00388   0.00362  -2.36504
   D181       0.76978  -0.00010  -0.00058   0.00197   0.00139   0.77117
   D182       3.13798  -0.00001  -0.00024  -0.00133  -0.00157   3.13641
   D183      -0.00366  -0.00004  -0.00003  -0.00277  -0.00281  -0.00647
   D184      -0.00048   0.00000   0.00008   0.00057   0.00065   0.00016
   D185       3.14106  -0.00003   0.00028  -0.00087  -0.00059   3.14047
   D186      -3.13844   0.00001   0.00020   0.00135   0.00155  -3.13689
   D187       0.00126   0.00002   0.00026   0.00155   0.00180   0.00306
   D188       0.00001   0.00000  -0.00012  -0.00056  -0.00067  -0.00066
   D189       3.13971   0.00000  -0.00006  -0.00036  -0.00042   3.13929
   D190       0.00069   0.00000   0.00000  -0.00030  -0.00029   0.00040
   D191      -3.14056  -0.00001   0.00004  -0.00055  -0.00051  -3.14106
   D192      -3.14085   0.00002  -0.00020   0.00115   0.00095  -3.13990
   D193       0.00109   0.00002  -0.00016   0.00090   0.00073   0.00182
   D194      -0.00041   0.00000  -0.00005   0.00001  -0.00004  -0.00046
   D195      -3.14094  -0.00001  -0.00003  -0.00023  -0.00026  -3.14119
   D196       3.14083   0.00001  -0.00009   0.00026   0.00017   3.14100
   D197       0.00031   0.00000  -0.00006   0.00002  -0.00004   0.00027
   D198      -0.00006   0.00000   0.00001   0.00000   0.00002  -0.00004
   D199      -3.14058  -0.00001   0.00001  -0.00002   0.00000  -3.14058
   D200       3.14046   0.00001  -0.00001   0.00024   0.00023   3.14069
   D201      -0.00006   0.00000  -0.00001   0.00022   0.00021   0.00015
   D202       0.00026   0.00000   0.00007   0.00027   0.00034   0.00060
   D203      -3.13945   0.00000   0.00002   0.00008   0.00009  -3.13935
   D204       3.14078   0.00000   0.00007   0.00029   0.00036   3.14114
   D205       0.00108   0.00000   0.00002   0.00010   0.00011   0.00119
   D206       0.05809   0.00004   0.00670   0.01368   0.02041   0.07850
   D207      -3.11009   0.00103  -0.00508   0.02737   0.02229  -3.08780
   D208      -3.12131  -0.00052  -0.00003  -0.02685  -0.02689   3.13499
   D209      -0.00631   0.00047  -0.01180  -0.01317  -0.02500  -0.03131
   D210       2.95434  -0.00095  -0.00511  -0.00434  -0.00948   2.94486
   D211      -0.21124  -0.00006  -0.01581   0.00802  -0.00775  -0.21898
   D212      -1.57771   0.00026  -0.00729  -0.00901  -0.01630  -1.59401
   D213       2.63355   0.00021  -0.00708  -0.00987  -0.01694   2.61661
   D214       0.59827   0.00009  -0.00744  -0.00837  -0.01581   0.58246
   D215      -0.65221   0.00006  -0.00595  -0.03047  -0.03642  -0.68863
   D216       2.48415  -0.00009  -0.00818  -0.03506  -0.04324   2.44091
   D217       1.29711  -0.00007  -0.00646  -0.02967  -0.03613   1.26098
   D218      -1.84971  -0.00022  -0.00869  -0.03426  -0.04295  -1.89267
   D219      -2.78390   0.00017  -0.00606  -0.03094  -0.03699  -2.82089
   D220       0.35246   0.00002  -0.00828  -0.03553  -0.04381   0.30865
   D221       3.13773  -0.00011  -0.00165  -0.00223  -0.00387   3.13386
   D222       0.00185  -0.00015  -0.00070  -0.00447  -0.00517  -0.00332
   D223       0.00088   0.00003   0.00037   0.00192   0.00229   0.00317
   D224      -3.13501  -0.00002   0.00132  -0.00033   0.00099  -3.13401
   D225       3.14038   0.00007   0.00139   0.00157   0.00298  -3.13983
   D226      -0.00552  -0.00005  -0.00044  -0.00221  -0.00264  -0.00816
   D227       0.00642   0.00003  -0.00005  -0.00033  -0.00038   0.00604
   D228      -3.14036   0.00007  -0.00091   0.00171   0.00080  -3.13956
   D229      -0.01058  -0.00007  -0.00030  -0.00143  -0.00174  -0.01231
   D230       3.13208   0.00005   0.00027   0.00181   0.00208   3.13415
   D231       0.00950   0.00007   0.00043   0.00214   0.00258   0.01208
   D232      -3.13310  -0.00005  -0.00010  -0.00095  -0.00105  -3.13415
   D233      -0.39929  -0.00007  -0.02745  -0.09711  -0.12456  -0.52386
   D234       1.70031  -0.00018  -0.02816  -0.10248  -0.13064   1.56966
   D235      -2.49558   0.00002  -0.02844  -0.10452  -0.13297  -2.62854
   D236      -2.55788  -0.00023  -0.02623  -0.09646  -0.12270  -2.68058
   D237      -0.45828  -0.00033  -0.02694  -0.10184  -0.12878  -0.58707
   D238       1.62902  -0.00013  -0.02722  -0.10388  -0.13110   1.49791
   D239       1.64852  -0.00011  -0.02746  -0.09460  -0.12206   1.52646
   D240      -2.53507  -0.00022  -0.02817  -0.09997  -0.12814  -2.66321
   D241      -0.44777  -0.00001  -0.02845  -0.10202  -0.13046  -0.57823
   D242       3.03536   0.00021  -0.00497   0.01730   0.01233   3.04769
   D243      -1.16490   0.00013  -0.00413   0.01851   0.01438  -1.15053
   D244       0.95622   0.00016  -0.00509   0.01658   0.01149   0.96771
   D245      -1.05389   0.00009  -0.00610   0.01487   0.00878  -1.04511
   D246       1.02904   0.00000  -0.00525   0.01608   0.01083   1.03986
   D247      -3.13302   0.00003  -0.00622   0.01416   0.00794  -3.12508
   D248       1.02045   0.00009  -0.00546   0.01332   0.00785   1.02830
   D249       3.10337   0.00001  -0.00462   0.01452   0.00990   3.11327
   D250      -1.05869   0.00004  -0.00559   0.01260   0.00701  -1.05167
   D251       0.00151   0.00004  -0.00043   0.00180   0.00138   0.00289
   D252       3.13460   0.00003  -0.00027   0.00160   0.00133   3.13593
         Item               Value     Threshold  Converged?
 Maximum Force            0.001064     0.000450     NO 
 RMS     Force            0.000199     0.000300     YES
 Maximum Displacement     0.436081     0.001800     NO 
 RMS     Displacement     0.107918     0.001200     NO 
 Predicted change in Energy=-2.302098D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -8.993581   -2.783122   -0.351497
      2          6           0       -8.975665   -1.306766   -0.759669
      3          6           0      -10.016031   -0.490583    0.013401
      4          6           0       -7.608893   -0.730238   -0.563600
      5          7           0       -6.816875   -0.262025   -1.498412
      6          6           0       -5.585238    0.210541   -0.974514
      7          6           0       -4.588208    0.756567   -1.958649
      8          7           0       -4.179780    2.154637   -1.683482
      9          6           0       -5.234760    3.167861   -1.954103
     10          6           0       -3.257806    2.481898   -0.659912
     11          8           0       -3.108925    3.636837   -0.277142
     12          7           0       -2.508942    1.417396   -0.073909
     13          6           0       -1.286078    1.805757    0.673023
     14          6           0       -0.067545    1.605092   -0.249057
     15          8           0       -0.005689    0.680387   -1.051811
     16          7           0        0.934023    2.561033   -0.164655
     17          6           0        2.179356    2.441872   -0.971297
     18          6           0        2.589217    3.842780   -1.482288
     19          6           0        2.901980    4.832937   -0.394665
     20          6           0        1.895378    5.682290    0.091765
     21          6           0        2.182678    6.604281    1.101559
     22          6           0        3.473716    6.688397    1.632024
     23          6           0        4.480117    5.848936    1.144085
     24          6           0        4.198909    4.925398    0.133824
     25          6           0        3.303738    1.773753   -0.154879
     26          6           0        2.987629    0.311711    0.180196
     27          8           0        2.486362    0.339975    1.533338
     28          6           0        4.260774   -0.591604    0.218590
     29          6           0        4.888778   -0.723127   -1.179991
     30          6           0        6.206437   -1.446525   -1.142988
     31          6           0        6.280530   -2.789795   -1.542768
     32          6           0        7.505025   -3.460774   -1.514663
     33          6           0        8.661368   -2.798788   -1.088304
     34          6           0        8.588984   -1.460530   -0.689822
     35          6           0        7.366717   -0.783087   -0.716149
     36          7           0        3.876506   -1.903711    0.805812
     37          6           0        3.277316   -2.919085    0.090656
     38          8           0        3.018082   -3.003340   -1.092095
     39          8           0        3.006705   -3.957362    0.995385
     40          6           0        2.146642   -5.023115    0.502064
     41          6           0        0.743388   -4.690055    0.831151
     42          6           0        0.235735   -4.121625    1.969408
     43          7           0       -1.160088   -3.921324    1.974043
     44          6           0       -1.720750   -4.334593    0.862137
     45         16           0       -0.550338   -4.991118   -0.293921
     46          6           0       -1.168864    0.937228    1.960066
     47          6           0       -0.799022   -0.518628    1.665577
     48          6           0       -0.164758    1.579432    2.920795
     49          6           0       -5.445131    0.097346    0.378869
     50         16           0       -6.875042   -0.613589    1.058928
     51          1           0       -9.961563   -3.241394   -0.588130
     52          1           0       -8.223175   -3.355750   -0.883003
     53          1           0       -8.825310   -2.920856    0.722996
     54          1           0       -9.221139   -1.241999   -1.858410
     55          1           0       -9.893830   -0.580731    1.099154
     56          1           0       -9.958067    0.576294   -0.236921
     57          1           0      -11.031856   -0.826322   -0.227271
     58          1           0       -3.686543    0.098506   -1.987244
     59          1           0       -5.015537    0.726045   -2.995667
     60          1           0       -5.407288    3.220941   -3.041643
     61          1           0       -4.901306    4.167103   -1.611499
     62          1           0       -6.186081    2.927420   -1.452447
     63          1           0       -2.390847    0.547963   -0.612977
     64          1           0       -1.387327    2.889195    0.978761
     65          1           0        0.937282    3.262705    0.573926
     66          1           0        1.942499    1.797835   -1.867739
     67          1           0        1.770188    4.235236   -2.126518
     68          1           0        3.456997    3.736105   -2.165148
     69          1           0        0.888874    5.632082   -0.323252
     70          1           0        1.397265    7.261392    1.473544
     71          1           0        3.695536    7.406867    2.418278
     72          1           0        5.487948    5.915870    1.551486
     73          1           0        4.990448    4.283091   -0.245132
     74          1           0        3.461207    2.323695    0.801884
     75          1           0        4.258549    1.859887   -0.705987
     76          1           0        2.211409   -0.121741   -0.495775
     77          1           0        1.694938   -0.262073    1.616541
     78          1           0        5.005879   -0.140609    0.929112
     79          1           0        4.177540   -1.243200   -1.868831
     80          1           0        5.024155    0.286651   -1.620707
     81          1           0        5.376681   -3.306197   -1.874013
     82          1           0        7.558749   -4.502776   -1.826031
     83          1           0        9.613829   -3.323381   -1.067668
     84          1           0        9.487704   -0.943214   -0.358598
     85          1           0        7.319617    0.257722   -0.406714
     86          1           0        4.008509   -2.010620    1.811741
     87          1           0        2.521374   -5.897827    1.077168
     88          1           0        2.327222   -5.171731   -0.583843
     89          1           0        0.799289   -3.815084    2.846324
     90          1           0       -2.779044   -4.292544    0.634204
     91          1           0       -2.181232    0.950152    2.444038
     92          1           0       -1.172743   -0.854675    0.690358
     93          1           0        0.289327   -0.683780    1.652902
     94          1           0       -1.206732   -1.198420    2.425328
     95          1           0       -0.137159    1.036548    3.873316
     96          1           0        0.861333    1.575091    2.520390
     97          1           0       -0.422756    2.617590    3.156397
     98          1           0       -4.607404    0.391982    0.993784
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0630479      0.0298251      0.0220100
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3555.6509750739 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.246633353629     A.U. after   18 cycles
             Convg  =    0.8255D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000036146    0.000249856   -0.000067610
      2        6           0.000137585    0.000026573    0.000076704
      3        6          -0.000043698    0.000137148   -0.000209880
      4        6          -0.000032099   -0.000186671    0.000203525
      5        7          -0.000045573    0.000074647   -0.000142426
      6        6           0.000034420    0.000186125    0.000225400
      7        6           0.000061956   -0.000214328   -0.000156897
      8        7          -0.000539711    0.001059954   -0.001294247
      9        6          -0.000076229    0.000199885   -0.000260546
     10        6           0.001594383   -0.001395018    0.003103614
     11        8          -0.000729560    0.000251841   -0.000675307
     12        7          -0.000649960    0.000046667   -0.001137557
     13        6          -0.000182786   -0.000221803   -0.000122662
     14        6          -0.000204364    0.000088158   -0.000474783
     15        8          -0.000186869   -0.000050366   -0.000016626
     16        7          -0.000367648   -0.000361244    0.000523821
     17        6           0.000865671   -0.000017006   -0.000314895
     18        6          -0.000006683    0.000182595   -0.000072028
     19        6           0.000107610    0.000168496   -0.000042915
     20        6           0.000023403   -0.000105003    0.000157117
     21        6           0.000061539    0.000085229   -0.000023791
     22        6          -0.000109328   -0.000060376    0.000011980
     23        6          -0.000009902   -0.000079557    0.000029716
     24        6          -0.000053058    0.000054992   -0.000080427
     25        6           0.000205685   -0.000486525    0.000608903
     26        6           0.000103217    0.000322016   -0.000683293
     27        8           0.000672249    0.000938648    0.001002181
     28        6           0.000594325    0.000426802   -0.000483424
     29        6           0.000196553    0.000196690    0.000528765
     30        6           0.000202147    0.000194421    0.000064572
     31        6           0.000235644   -0.000072231   -0.000133460
     32        6          -0.000060830    0.000037315    0.000028922
     33        6          -0.000006039    0.000061455    0.000016630
     34        6           0.000033398   -0.000074634   -0.000041960
     35        6          -0.000111578   -0.000115495    0.000084213
     36        7          -0.001192959    0.000292384   -0.000308944
     37        6           0.000183454   -0.000327992    0.000186164
     38        8           0.000033663   -0.000122891   -0.000090249
     39        8          -0.000232791   -0.000347025   -0.000161704
     40        6           0.000020015    0.000499408    0.000301664
     41        6          -0.000018372    0.000241245   -0.000100878
     42        6          -0.000035907    0.000050192   -0.000123578
     43        7           0.000006232   -0.000211506    0.000189845
     44        6          -0.000205532    0.000246632   -0.000244459
     45       16           0.000187323   -0.000074885    0.000082082
     46        6          -0.000293173   -0.000123279    0.000114893
     47        6          -0.000398721   -0.000973773    0.000030289
     48        6           0.000280033   -0.000039734   -0.000274674
     49        6           0.000301000    0.000090583    0.000272198
     50       16          -0.000004714    0.000094611   -0.000129096
     51        1           0.000009785   -0.000120538    0.000010610
     52        1           0.000006283   -0.000073955    0.000023099
     53        1          -0.000055749   -0.000033927    0.000059703
     54        1          -0.000028707   -0.000039235   -0.000106128
     55        1           0.000073450   -0.000062132    0.000040119
     56        1          -0.000050001    0.000014532    0.000012926
     57        1           0.000009519   -0.000029778    0.000155688
     58        1          -0.000256349    0.000200967   -0.000203539
     59        1           0.000122735   -0.000050813    0.000191542
     60        1          -0.000007222    0.000072194   -0.000011188
     61        1           0.000123668   -0.000094928    0.000000609
     62        1           0.000050137   -0.000173496   -0.000041312
     63        1           0.000068200   -0.000221655    0.000072724
     64        1          -0.000119585    0.000170283   -0.000096648
     65        1          -0.000137174    0.000134195    0.000178152
     66        1          -0.000136678    0.000155592    0.000161269
     67        1          -0.000149221   -0.000059175   -0.000053293
     68        1          -0.000119935    0.000058178    0.000001881
     69        1          -0.000005441    0.000032284   -0.000028703
     70        1           0.000020265   -0.000008635    0.000007618
     71        1           0.000021002    0.000005877    0.000011343
     72        1           0.000006927    0.000008282   -0.000022555
     73        1           0.000001603   -0.000026038    0.000012686
     74        1          -0.000099703    0.000229651   -0.000098867
     75        1          -0.000307742    0.000102045   -0.000178552
     76        1           0.000013528   -0.000383996   -0.000140301
     77        1          -0.000033013   -0.000728963   -0.000595712
     78        1           0.000002347   -0.000174519    0.000167054
     79        1          -0.000117248   -0.000216032    0.000317041
     80        1           0.000213828    0.000030037   -0.000224977
     81        1          -0.000093764   -0.000109693    0.000080977
     82        1          -0.000000484    0.000016217    0.000000487
     83        1          -0.000005229    0.000008652    0.000005732
     84        1           0.000007161   -0.000015418   -0.000004468
     85        1           0.000018578   -0.000036855   -0.000009895
     86        1           0.000090398   -0.000065441    0.000097715
     87        1           0.000197528   -0.000195300   -0.000187865
     88        1          -0.000048893   -0.000020216   -0.000009596
     89        1           0.000032896    0.000007819    0.000135758
     90        1           0.000053793    0.000005339    0.000057134
     91        1           0.000161800    0.000078393   -0.000155010
     92        1           0.000206178    0.000466071    0.000416482
     93        1          -0.000550541   -0.000082880   -0.000740092
     94        1           0.000448213    0.000245105    0.000096692
     95        1          -0.000366478    0.000036639    0.000160109
     96        1           0.000123126   -0.000058419    0.000238022
     97        1           0.000144951    0.000173865    0.000095831
     98        1           0.000081694   -0.000013405    0.000124819
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003103614 RMS     0.000350161

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001978750 RMS     0.000312304
 Search for a local minimum.
 Step number  26 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   25   26
 DE= -2.37D-04 DEPred=-2.30D-04 R= 1.03D+00
 SS=  1.41D+00  RLast= 4.85D-01 DXNew= 2.9263D+00 1.4560D+00
 Trust test= 1.03D+00 RLast= 4.85D-01 DXMaxT set to 1.74D+00
     Eigenvalues ---    0.00041   0.00138   0.00211   0.00321   0.00417
     Eigenvalues ---    0.00467   0.00565   0.00605   0.00661   0.00704
     Eigenvalues ---    0.00747   0.00837   0.00913   0.00936   0.00949
     Eigenvalues ---    0.01004   0.01062   0.01085   0.01195   0.01231
     Eigenvalues ---    0.01272   0.01282   0.01393   0.01398   0.01417
     Eigenvalues ---    0.01441   0.01536   0.01565   0.01591   0.01668
     Eigenvalues ---    0.01748   0.01831   0.01918   0.01926   0.01979
     Eigenvalues ---    0.02078   0.02172   0.02194   0.02199   0.02203
     Eigenvalues ---    0.02220   0.02257   0.02263   0.02269   0.02290
     Eigenvalues ---    0.02327   0.02372   0.02404   0.02408   0.02414
     Eigenvalues ---    0.02442   0.02449   0.02482   0.02485   0.02527
     Eigenvalues ---    0.02528   0.02649   0.02699   0.02732   0.02793
     Eigenvalues ---    0.03308   0.03896   0.04024   0.04134   0.04186
     Eigenvalues ---    0.04248   0.04430   0.04530   0.04609   0.04791
     Eigenvalues ---    0.04929   0.04960   0.05022   0.05047   0.05140
     Eigenvalues ---    0.05243   0.05330   0.05377   0.05431   0.05492
     Eigenvalues ---    0.05532   0.05570   0.05607   0.05717   0.05748
     Eigenvalues ---    0.05787   0.05844   0.05917   0.05970   0.06006
     Eigenvalues ---    0.06228   0.06293   0.06475   0.06643   0.06907
     Eigenvalues ---    0.07145   0.07475   0.07527   0.07944   0.08075
     Eigenvalues ---    0.08633   0.08806   0.09539   0.09852   0.10289
     Eigenvalues ---    0.11919   0.12829   0.12938   0.13128   0.13451
     Eigenvalues ---    0.13654   0.13897   0.14330   0.15690   0.15734
     Eigenvalues ---    0.15878   0.15947   0.15970   0.15985   0.15992
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16006
     Eigenvalues ---    0.16014   0.16033   0.16044   0.16067   0.16076
     Eigenvalues ---    0.16097   0.16122   0.16195   0.16582   0.16893
     Eigenvalues ---    0.17050   0.17508   0.17687   0.17968   0.18165
     Eigenvalues ---    0.18529   0.18907   0.19534   0.20350   0.21519
     Eigenvalues ---    0.21734   0.21812   0.21858   0.21999   0.22000
     Eigenvalues ---    0.22001   0.22007   0.22112   0.22238   0.22567
     Eigenvalues ---    0.22811   0.22975   0.23435   0.23484   0.23611
     Eigenvalues ---    0.23691   0.23730   0.24243   0.24442   0.24746
     Eigenvalues ---    0.24889   0.24964   0.24998   0.25020   0.25086
     Eigenvalues ---    0.25103   0.25440   0.25715   0.26084   0.29045
     Eigenvalues ---    0.29455   0.29695   0.29752   0.29908   0.30053
     Eigenvalues ---    0.30147   0.30276   0.30430   0.30717   0.30927
     Eigenvalues ---    0.31306   0.31350   0.31433   0.31466   0.31492
     Eigenvalues ---    0.31597   0.31659   0.31704   0.31994   0.32069
     Eigenvalues ---    0.32238   0.32367   0.32500   0.32559   0.32671
     Eigenvalues ---    0.32730   0.32776   0.32858   0.32944   0.32974
     Eigenvalues ---    0.33014   0.33051   0.33081   0.33168   0.33227
     Eigenvalues ---    0.33334   0.33452   0.33519   0.33568   0.33670
     Eigenvalues ---    0.33706   0.33897   0.33969   0.33984   0.34007
     Eigenvalues ---    0.34157   0.34235   0.34309   0.34348   0.34407
     Eigenvalues ---    0.34493   0.34553   0.34708   0.34818   0.35138
     Eigenvalues ---    0.35600   0.36195   0.36248   0.36313   0.36375
     Eigenvalues ---    0.36629   0.36803   0.36859   0.36964   0.37342
     Eigenvalues ---    0.37801   0.38491   0.39213   0.39924   0.41034
     Eigenvalues ---    0.41298   0.42427   0.42608   0.42884   0.43241
     Eigenvalues ---    0.43428   0.44183   0.44515   0.45134   0.45835
     Eigenvalues ---    0.47504   0.47895   0.48356   0.48399   0.48606
     Eigenvalues ---    0.48918   0.49133   0.49548   0.49968   0.50637
     Eigenvalues ---    0.50950   0.51243   0.51394   0.56333   0.57167
     Eigenvalues ---    0.58406   0.59339   0.62636   0.65185   0.76059
     Eigenvalues ---    0.78099   0.83724   1.147141000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    26   25   24   23   22
 RFO step:  Lambda=-9.26339831D-05.
 DIIS coeffs:      0.90170      0.56263     -0.78494      0.27746      0.04316
 Iteration  1 RMS(Cart)=  0.09577657 RMS(Int)=  0.00139642
 Iteration  2 RMS(Cart)=  0.00232577 RMS(Int)=  0.00003721
 Iteration  3 RMS(Cart)=  0.00000484 RMS(Int)=  0.00003704
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003704
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89477   0.00003   0.00003  -0.00013  -0.00010   2.89467
    R2        2.07268  -0.00008   0.00003  -0.00014  -0.00011   2.07257
    R3        2.07348  -0.00004   0.00000   0.00017   0.00017   2.07364
    R4        2.07166   0.00007  -0.00003   0.00009   0.00006   2.07172
    R5        2.89452  -0.00003   0.00019  -0.00030  -0.00011   2.89441
    R6        2.82758   0.00011  -0.00017   0.00028   0.00011   2.82769
    R7        2.13102   0.00006   0.00000   0.00012   0.00013   2.13115
    R8        2.07175   0.00008   0.00004   0.00021   0.00025   2.07200
    R9        2.07375  -0.00003  -0.00002  -0.00018  -0.00020   2.07355
   R10        2.07228   0.00000   0.00001   0.00009   0.00009   2.07238
   R11        2.47863   0.00010  -0.00006   0.00045   0.00039   2.47902
   R12        3.37238  -0.00021  -0.00017  -0.00083  -0.00100   3.37137
   R13        2.68229   0.00012  -0.00005  -0.00035  -0.00040   2.68189
   R14        2.84134   0.00073   0.00010  -0.00062  -0.00053   2.84082
   R15        2.58007   0.00035   0.00027   0.00050   0.00077   2.58084
   R16        2.80109   0.00037   0.00040   0.00057   0.00097   2.80206
   R17        2.11012   0.00020   0.00006   0.00014   0.00020   2.11032
   R18        2.12033  -0.00015  -0.00004  -0.00001  -0.00004   2.12028
   R19        2.81109   0.00025   0.00008   0.00120   0.00128   2.81236
   R20        2.67570   0.00154   0.00054   0.00351   0.00405   2.67975
   R21        2.08327   0.00005  -0.00004   0.00048   0.00044   2.08371
   R22        2.09330   0.00010  -0.00014  -0.00013  -0.00027   2.09303
   R23        2.08255  -0.00002  -0.00009  -0.00047  -0.00056   2.08198
   R24        2.31641  -0.00015   0.00004  -0.00075  -0.00071   2.31570
   R25        2.69732  -0.00045   0.00026   0.00174   0.00200   2.69933
   R26        2.80555   0.00008   0.00071   0.00184   0.00254   2.80809
   R27        1.94601  -0.00021  -0.00045   0.00052   0.00007   1.94608
   R28        2.91246  -0.00031  -0.00011  -0.00007  -0.00017   2.91229
   R29        2.94249   0.00004  -0.00108  -0.00024  -0.00132   2.94118
   R30        2.13595  -0.00015   0.00036  -0.00006   0.00030   2.13624
   R31        2.31699   0.00003   0.00002  -0.00034  -0.00032   2.31667
   R32        2.62126  -0.00081  -0.00011  -0.00067  -0.00078   2.62049
   R33        2.81292  -0.00107   0.00006  -0.00120  -0.00114   2.81178
   R34        1.92516  -0.00016  -0.00029  -0.00078  -0.00107   1.92410
   R35        2.92245  -0.00005   0.00013   0.00067   0.00080   2.92325
   R36        2.91359  -0.00046   0.00017  -0.00181  -0.00164   2.91194
   R37        2.13338   0.00014  -0.00004  -0.00005  -0.00008   2.13330
   R38        2.84161  -0.00006  -0.00005  -0.00011  -0.00015   2.84145
   R39        2.10419  -0.00009   0.00010   0.00009   0.00019   2.10439
   R40        2.09642   0.00011  -0.00007   0.00019   0.00012   2.09654
   R41        2.65321   0.00003   0.00004   0.00016   0.00019   2.65340
   R42        2.65227   0.00006  -0.00006   0.00027   0.00022   2.65249
   R43        2.64041  -0.00002  -0.00005   0.00000  -0.00006   2.64036
   R44        2.05955   0.00002  -0.00001   0.00013   0.00012   2.05967
   R45        2.64241   0.00010  -0.00002   0.00024   0.00022   2.64263
   R46        2.05888   0.00002   0.00002   0.00009   0.00011   2.05899
   R47        2.64266  -0.00001  -0.00005   0.00004  -0.00001   2.64265
   R48        2.05590   0.00000   0.00000   0.00003   0.00002   2.05592
   R49        2.64064   0.00007  -0.00008   0.00040   0.00032   2.64096
   R50        2.05813  -0.00001  -0.00002   0.00001  -0.00001   2.05813
   R51        2.05512  -0.00001  -0.00005  -0.00007  -0.00013   2.05499
   R52        2.89675  -0.00005  -0.00040  -0.00291  -0.00331   2.89344
   R53        2.10654  -0.00027  -0.00024  -0.00047  -0.00071   2.10583
   R54        2.08967   0.00035  -0.00037   0.00091   0.00055   2.09021
   R55        2.72741   0.00053  -0.00008   0.00028   0.00020   2.72761
   R56        2.95085  -0.00008   0.00057   0.00163   0.00220   2.95305
   R57        2.11053  -0.00032   0.00015  -0.00139  -0.00124   2.10929
   R58        1.88569  -0.00080   0.00043  -0.00072  -0.00029   1.88540
   R59        2.90780  -0.00082   0.00080  -0.00480  -0.00401   2.90379
   R60        2.81189  -0.00021   0.00092  -0.00254  -0.00162   2.81027
   R61        2.12409   0.00019  -0.00031   0.00005  -0.00027   2.12382
   R62        2.84145  -0.00018   0.00008   0.00026   0.00034   2.84179
   R63        2.11349  -0.00028   0.00008  -0.00191  -0.00184   2.11165
   R64        2.09769   0.00021  -0.00020   0.00048   0.00029   2.09798
   R65        2.65215  -0.00016  -0.00004  -0.00016  -0.00020   2.65194
   R66        2.65141   0.00017  -0.00015   0.00022   0.00007   2.65147
   R67        2.63912   0.00006  -0.00010   0.00002  -0.00008   2.63905
   R68        2.06434  -0.00013   0.00012   0.00068   0.00080   2.06513
   R69        2.64368   0.00001  -0.00003   0.00021   0.00018   2.64386
   R70        2.05764   0.00001   0.00000   0.00009   0.00008   2.05772
   R71        2.64221   0.00009  -0.00005   0.00003  -0.00003   2.64218
   R72        2.05521   0.00001   0.00000   0.00006   0.00005   2.05526
   R73        2.64127  -0.00003   0.00002   0.00031   0.00033   2.64160
   R74        2.05713   0.00001  -0.00002  -0.00005  -0.00007   2.05706
   R75        2.05386   0.00004  -0.00005   0.00000  -0.00005   2.05381
   R76        2.60581  -0.00023   0.00033  -0.00179  -0.00146   2.60435
   R77        1.92784   0.00012  -0.00005   0.00107   0.00102   1.92886
   R78        2.29366  -0.00003   0.00012  -0.00036  -0.00024   2.29342
   R79        2.65221  -0.00003   0.00006   0.00062   0.00067   2.65289
   R80        2.75077   0.00059  -0.00016   0.00178   0.00162   2.75239
   R81        2.79548   0.00004  -0.00039   0.00115   0.00076   2.79624
   R82        2.10116  -0.00027   0.00004  -0.00049  -0.00045   2.10071
   R83        2.09912   0.00001  -0.00031   0.00002  -0.00029   2.09883
   R84        2.58862   0.00001  -0.00005   0.00092   0.00087   2.58949
   R85        3.28951   0.00003  -0.00009  -0.00063  -0.00071   3.28880
   R86        2.66476  -0.00003   0.00005  -0.00036  -0.00030   2.66445
   R87        2.05324   0.00004   0.00002   0.00012   0.00015   2.05339
   R88        2.47941   0.00020   0.00004   0.00102   0.00105   2.48046
   R89        3.34719  -0.00017  -0.00011  -0.00184  -0.00195   3.34525
   R90        2.04729   0.00004   0.00002   0.00037   0.00039   2.04768
   R91        2.89259  -0.00016  -0.00032  -0.00150  -0.00182   2.89077
   R92        2.89298  -0.00013  -0.00010  -0.00101  -0.00111   2.89188
   R93        2.12061   0.00010  -0.00023  -0.00033  -0.00057   2.12004
   R94        2.07323   0.00023  -0.00052  -0.00190  -0.00242   2.07082
   R95        2.08036   0.00052   0.00042  -0.00069  -0.00026   2.08010
   R96        2.07489   0.00026   0.00000   0.00046   0.00046   2.07535
   R97        2.07249   0.00015  -0.00025  -0.00004  -0.00029   2.07220
   R98        2.08145  -0.00018   0.00002  -0.00054  -0.00051   2.08094
   R99        2.06996  -0.00008   0.00000  -0.00035  -0.00035   2.06960
   R100       3.27994  -0.00004  -0.00013  -0.00106  -0.00119   3.27875
   R101       2.04118   0.00000  -0.00015   0.00017   0.00002   2.04121
    A1        1.93427  -0.00003   0.00006   0.00016   0.00022   1.93449
    A2        1.94517  -0.00001  -0.00010  -0.00054  -0.00065   1.94453
    A3        1.96108   0.00002   0.00013  -0.00001   0.00012   1.96120
    A4        1.87245   0.00006   0.00011   0.00081   0.00092   1.87337
    A5        1.86965  -0.00001  -0.00017  -0.00005  -0.00022   1.86943
    A6        1.87700  -0.00004  -0.00003  -0.00032  -0.00035   1.87664
    A7        1.95102   0.00000   0.00010  -0.00006   0.00005   1.95106
    A8        1.92529  -0.00003   0.00011  -0.00074  -0.00064   1.92465
    A9        1.88854   0.00004  -0.00030  -0.00020  -0.00050   1.88804
   A10        1.92727   0.00003   0.00019   0.00057   0.00076   1.92804
   A11        1.88946  -0.00003   0.00009   0.00020   0.00028   1.88974
   A12        1.88008  -0.00001  -0.00022   0.00025   0.00004   1.88012
   A13        1.96094   0.00009   0.00001  -0.00022  -0.00022   1.96072
   A14        1.94662  -0.00007   0.00024   0.00007   0.00031   1.94693
   A15        1.93400   0.00005   0.00003   0.00025   0.00028   1.93428
   A16        1.87545  -0.00002  -0.00004   0.00041   0.00037   1.87582
   A17        1.87070  -0.00010  -0.00016  -0.00089  -0.00105   1.86965
   A18        1.87184   0.00005  -0.00009   0.00038   0.00029   1.87213
   A19        2.20896   0.00002  -0.00016  -0.00031  -0.00048   2.20848
   A20        2.11758  -0.00003   0.00015   0.00030   0.00045   2.11803
   A21        1.95664   0.00001   0.00002   0.00001   0.00003   1.95667
   A22        1.96032   0.00011   0.00010  -0.00029  -0.00019   1.96013
   A23        2.04284  -0.00059  -0.00042   0.00132   0.00090   2.04373
   A24        2.01231  -0.00025  -0.00017   0.00004  -0.00013   2.01218
   A25        2.22796   0.00085   0.00060  -0.00136  -0.00075   2.22720
   A26        1.98639   0.00088   0.00051   0.00108   0.00159   1.98798
   A27        1.91580   0.00007   0.00069  -0.00112  -0.00042   1.91537
   A28        1.92039  -0.00057  -0.00086   0.00199   0.00113   1.92152
   A29        1.91570  -0.00025   0.00035  -0.00022   0.00014   1.91584
   A30        1.87777  -0.00021  -0.00058  -0.00159  -0.00217   1.87560
   A31        1.84194   0.00002  -0.00021  -0.00023  -0.00044   1.84150
   A32        1.99682  -0.00028   0.00141  -0.00224  -0.00084   1.99598
   A33        2.13130   0.00045   0.00159  -0.00518  -0.00360   2.12770
   A34        2.02181  -0.00010   0.00082  -0.00395  -0.00315   2.01866
   A35        1.89996  -0.00004  -0.00003  -0.00095  -0.00098   1.89898
   A36        1.92269   0.00008   0.00023  -0.00059  -0.00036   1.92232
   A37        1.96145   0.00010  -0.00039   0.00185   0.00146   1.96291
   A38        1.88472   0.00002   0.00013  -0.00027  -0.00014   1.88458
   A39        1.90125   0.00001   0.00011   0.00051   0.00063   1.90188
   A40        1.89218  -0.00018  -0.00003  -0.00062  -0.00065   1.89153
   A41        2.12069  -0.00043  -0.00039  -0.00077  -0.00119   2.11949
   A42        2.05560   0.00055   0.00018  -0.00089  -0.00075   2.05486
   A43        2.10686  -0.00010   0.00002   0.00182   0.00180   2.10866
   A44        2.03042   0.00003   0.00042  -0.00323  -0.00288   2.02754
   A45        2.06565   0.00010   0.00002  -0.00510  -0.00516   2.06049
   A46        1.97117  -0.00013  -0.00048  -0.00446  -0.00502   1.96615
   A47        1.89249   0.00022   0.00005   0.00163   0.00168   1.89417
   A48        1.90916   0.00052  -0.00005  -0.00015  -0.00020   1.90897
   A49        1.88920  -0.00018   0.00056  -0.00108  -0.00052   1.88868
   A50        1.94162  -0.00092  -0.00122   0.00335   0.00213   1.94375
   A51        1.93634   0.00033   0.00047  -0.00311  -0.00264   1.93370
   A52        1.89423   0.00006   0.00023  -0.00074  -0.00052   1.89371
   A53        2.12915   0.00016  -0.00044   0.00246   0.00202   2.13117
   A54        2.03169   0.00009   0.00072  -0.00257  -0.00186   2.02983
   A55        2.12136  -0.00022  -0.00032  -0.00003  -0.00035   2.12100
   A56        2.11290  -0.00133  -0.00070  -0.00160  -0.00230   2.11060
   A57        2.11892   0.00056   0.00062   0.00132   0.00194   2.12086
   A58        2.03234   0.00063   0.00053   0.00094   0.00148   2.03382
   A59        1.90526   0.00090  -0.00028   0.00222   0.00194   1.90720
   A60        1.93677  -0.00190   0.00118  -0.00381  -0.00263   1.93413
   A61        1.87596   0.00038  -0.00024  -0.00003  -0.00028   1.87568
   A62        1.95437   0.00107  -0.00081   0.00182   0.00101   1.95538
   A63        1.88600  -0.00042  -0.00004   0.00070   0.00067   1.88667
   A64        1.90315  -0.00003   0.00019  -0.00086  -0.00068   1.90246
   A65        1.99613  -0.00019   0.00011  -0.00043  -0.00032   1.99580
   A66        1.89178   0.00010   0.00000  -0.00045  -0.00045   1.89134
   A67        1.90031   0.00003  -0.00009   0.00071   0.00062   1.90093
   A68        1.91705   0.00004   0.00012  -0.00074  -0.00061   1.91644
   A69        1.92392   0.00009  -0.00008   0.00134   0.00125   1.92517
   A70        1.82671  -0.00006  -0.00007  -0.00046  -0.00053   1.82618
   A71        2.09417   0.00008   0.00008   0.00004   0.00013   2.09430
   A72        2.10357  -0.00006  -0.00009   0.00003  -0.00006   2.10351
   A73        2.08540  -0.00003   0.00001  -0.00007  -0.00006   2.08533
   A74        2.09688   0.00003  -0.00003   0.00003   0.00000   2.09688
   A75        2.09706  -0.00004   0.00004  -0.00030  -0.00025   2.09681
   A76        2.08920   0.00002  -0.00001   0.00026   0.00025   2.08945
   A77        2.09868   0.00000   0.00001   0.00010   0.00011   2.09879
   A78        2.09036   0.00000  -0.00001   0.00002   0.00002   2.09037
   A79        2.09414   0.00000   0.00000  -0.00013  -0.00013   2.09401
   A80        2.08976   0.00000   0.00000  -0.00005  -0.00005   2.08971
   A81        2.09687  -0.00002   0.00004  -0.00002   0.00001   2.09689
   A82        2.09654   0.00002  -0.00003   0.00007   0.00004   2.09658
   A83        2.09922  -0.00001   0.00001  -0.00002   0.00000   2.09922
   A84        2.09271   0.00001   0.00005   0.00014   0.00019   2.09290
   A85        2.09126   0.00000  -0.00007  -0.00012  -0.00019   2.09107
   A86        2.09639   0.00002   0.00000  -0.00001   0.00000   2.09639
   A87        2.09722   0.00002  -0.00004   0.00018   0.00014   2.09736
   A88        2.08955  -0.00003   0.00004  -0.00018  -0.00014   2.08941
   A89        1.95915  -0.00198   0.00122  -0.00444  -0.00322   1.95593
   A90        1.92167   0.00042   0.00030   0.00097   0.00127   1.92294
   A91        1.90925   0.00077  -0.00085   0.00142   0.00057   1.90982
   A92        1.88815   0.00067   0.00013   0.00074   0.00087   1.88902
   A93        1.94045   0.00051  -0.00077   0.00145   0.00068   1.94113
   A94        1.84144  -0.00029  -0.00009   0.00015   0.00007   1.84151
   A95        1.83163   0.00035   0.00034  -0.00102  -0.00067   1.83095
   A96        1.97033  -0.00068  -0.00003  -0.00366  -0.00369   1.96664
   A97        1.96188  -0.00013  -0.00044  -0.00213  -0.00257   1.95930
   A98        1.84569   0.00027  -0.00020   0.00459   0.00439   1.85008
   A99        1.91099  -0.00030   0.00055  -0.00022   0.00032   1.91131
   A100       1.93588   0.00049  -0.00014   0.00273   0.00258   1.93846
   A101       1.91965   0.00033   0.00032   0.00056   0.00088   1.92053
   A102       1.93891  -0.00014  -0.00041  -0.00291  -0.00331   1.93560
   A103       1.88521   0.00122  -0.00082   0.00629   0.00546   1.89067
   A104       1.90065  -0.00041   0.00048   0.00231   0.00278   1.90343
   A105       1.97004  -0.00104   0.00230  -0.00599  -0.00368   1.96636
   A106       1.91590   0.00041  -0.00102   0.00013  -0.00089   1.91501
   A107       1.84994  -0.00003  -0.00056   0.00065   0.00008   1.85002
   A108       1.95671  -0.00030   0.00043  -0.00100  -0.00058   1.95613
   A109       1.91773  -0.00005   0.00103  -0.00215  -0.00112   1.91660
   A110       1.91015   0.00009  -0.00031  -0.00066  -0.00097   1.90918
   A111       1.92701   0.00011  -0.00026   0.00039   0.00013   1.92713
   A112       1.91829   0.00017  -0.00080   0.00059  -0.00021   1.91808
   A113       1.82971   0.00000  -0.00013   0.00308   0.00296   1.83267
   A114       2.09408  -0.00002  -0.00008   0.00061   0.00053   2.09460
   A115       2.09981   0.00002  -0.00002  -0.00071  -0.00073   2.09908
   A116       2.08929   0.00000   0.00010   0.00011   0.00020   2.08949
   A117       2.09486   0.00003  -0.00006  -0.00005  -0.00011   2.09475
   A118       2.08880   0.00004  -0.00016  -0.00028  -0.00044   2.08836
   A119       2.09953  -0.00007   0.00022   0.00033   0.00054   2.10007
   A120       2.09845  -0.00001   0.00003   0.00009   0.00012   2.09857
   A121       2.09126   0.00000  -0.00006  -0.00019  -0.00026   2.09100
   A122       2.09347   0.00001   0.00004   0.00010   0.00014   2.09361
   A123       2.09090   0.00001  -0.00001  -0.00003  -0.00004   2.09087
   A124       2.09603  -0.00001   0.00002   0.00001   0.00004   2.09607
   A125       2.09625   0.00001  -0.00002   0.00001   0.00000   2.09625
   A126       2.09880  -0.00003   0.00000  -0.00006  -0.00006   2.09874
   A127       2.09303   0.00003   0.00002   0.00015   0.00017   2.09321
   A128       2.09135   0.00000  -0.00002  -0.00009  -0.00011   2.09124
   A129       2.09406   0.00000  -0.00005  -0.00007  -0.00012   2.09394
   A130       2.09855   0.00000   0.00012   0.00050   0.00062   2.09917
   A131       2.09057   0.00000  -0.00007  -0.00043  -0.00050   2.09007
   A132       2.16139  -0.00064   0.00175  -0.00182  -0.00054   2.16085
   A133       2.03546   0.00033  -0.00114  -0.00194  -0.00355   2.03191
   A134       2.08340   0.00031  -0.00081   0.00093  -0.00036   2.08304
   A135       2.27747  -0.00050   0.00088  -0.00065   0.00023   2.27770
   A136       1.86941   0.00066  -0.00055   0.00088   0.00034   1.86975
   A137       2.13605  -0.00016  -0.00044  -0.00012  -0.00055   2.13550
   A138       2.02316  -0.00023  -0.00056   0.00007  -0.00048   2.02267
   A139       1.89678   0.00060  -0.00157  -0.00110  -0.00267   1.89411
   A140       1.77374  -0.00022   0.00033  -0.00013   0.00020   1.77394
   A141       1.91050  -0.00026   0.00021   0.00074   0.00096   1.91146
   A142       1.96249  -0.00016   0.00041   0.00034   0.00075   1.96324
   A143       1.98428  -0.00008   0.00036   0.00160   0.00196   1.98625
   A144       1.92367   0.00011   0.00020  -0.00162  -0.00143   1.92225
   A145       2.25212  -0.00007  -0.00027  -0.00170  -0.00197   2.25015
   A146       2.12032   0.00010   0.00014   0.00205   0.00218   2.12250
   A147       1.91070  -0.00003   0.00013  -0.00039  -0.00026   1.91044
   A148       2.01364   0.00003  -0.00006   0.00001  -0.00005   2.01359
   A149       2.20868   0.00004   0.00009   0.00028   0.00036   2.20904
   A150       2.06086  -0.00007  -0.00003  -0.00027  -0.00030   2.06056
   A151       1.95569  -0.00006  -0.00010  -0.00040  -0.00050   1.95518
   A152       1.96872   0.00001   0.00013   0.00017   0.00030   1.96902
   A153       2.19383  -0.00005  -0.00003  -0.00100  -0.00104   2.19279
   A154       2.12063   0.00004  -0.00009   0.00081   0.00071   2.12135
   A155       1.57595   0.00004  -0.00008   0.00054   0.00046   1.57641
   A156       1.97108  -0.00004  -0.00167   0.00150  -0.00017   1.97092
   A157       1.91145   0.00010   0.00011   0.00164   0.00174   1.91319
   A158       1.85683   0.00004   0.00079   0.00080   0.00160   1.85842
   A159       1.94040  -0.00019  -0.00026  -0.00148  -0.00174   1.93866
   A160       1.88799   0.00019   0.00090  -0.00209  -0.00118   1.88681
   A161       1.89255  -0.00010   0.00027  -0.00042  -0.00016   1.89239
   A162       1.96063   0.00046  -0.00069  -0.00097  -0.00166   1.95898
   A163       1.96467  -0.00038  -0.00049   0.00213   0.00164   1.96630
   A164       1.94552  -0.00020   0.00098  -0.00341  -0.00243   1.94308
   A165       1.85519  -0.00007  -0.00064  -0.00212  -0.00277   1.85243
   A166       1.87438  -0.00036   0.00130   0.00063   0.00193   1.87631
   A167       1.85687   0.00056  -0.00044   0.00401   0.00357   1.86044
   A168       1.93253   0.00007  -0.00010   0.00027   0.00018   1.93271
   A169       1.96192   0.00020  -0.00010   0.00109   0.00099   1.96292
   A170       1.95852  -0.00024   0.00018  -0.00137  -0.00119   1.95732
   A171       1.86537  -0.00026   0.00018  -0.00164  -0.00146   1.86391
   A172       1.86322   0.00012   0.00022   0.00159   0.00181   1.86503
   A173       1.87690   0.00010  -0.00037   0.00006  -0.00031   1.87658
   A174       1.91538   0.00007   0.00003  -0.00013  -0.00010   1.91528
   A175       2.24118   0.00012   0.00022  -0.00232  -0.00210   2.23908
   A176       2.12659  -0.00019  -0.00025   0.00244   0.00219   2.12878
   A177       1.58011   0.00007   0.00003   0.00035   0.00038   1.58050
    D1        1.09201  -0.00005  -0.00517  -0.01716  -0.02233   1.06968
    D2       -3.03962  -0.00003  -0.00477  -0.01700  -0.02178  -3.06139
    D3       -0.98700  -0.00004  -0.00515  -0.01724  -0.02239  -1.00939
    D4       -3.10717   0.00001  -0.00506  -0.01640  -0.02145  -3.12863
    D5       -0.95562   0.00003  -0.00466  -0.01624  -0.02090  -0.97651
    D6        1.09700   0.00002  -0.00503  -0.01648  -0.02151   1.07549
    D7       -0.99905  -0.00003  -0.00508  -0.01720  -0.02228  -1.02133
    D8        1.15251  -0.00002  -0.00468  -0.01705  -0.02173   1.13078
    D9       -3.07806  -0.00003  -0.00506  -0.01728  -0.02234  -3.10040
   D10        0.97353   0.00001  -0.00431   0.00007  -0.00424   0.96929
   D11        3.08059   0.00000  -0.00419   0.00049  -0.00370   3.07689
   D12       -1.11859   0.00005  -0.00413   0.00118  -0.00294  -1.12153
   D13       -1.17691   0.00002  -0.00466   0.00066  -0.00400  -1.18091
   D14        0.93015   0.00001  -0.00454   0.00108  -0.00346   0.92670
   D15        3.01417   0.00006  -0.00448   0.00177  -0.00271   3.01146
   D16        3.05199   0.00004  -0.00456  -0.00009  -0.00465   3.04735
   D17       -1.12413   0.00002  -0.00444   0.00034  -0.00410  -1.12823
   D18        0.95988   0.00007  -0.00438   0.00103  -0.00335   0.95653
   D19        2.03053   0.00001   0.00052  -0.01303  -0.01251   2.01801
   D20       -1.11178   0.00001   0.00303  -0.01791  -0.01488  -1.12667
   D21       -2.08734   0.00002   0.00086  -0.01323  -0.01237  -2.09971
   D22        1.05353   0.00002   0.00337  -0.01811  -0.01474   1.03879
   D23       -0.02730   0.00000   0.00095  -0.01252  -0.01158  -0.03888
   D24        3.11358  -0.00001   0.00345  -0.01740  -0.01395   3.09963
   D25       -3.13983   0.00000   0.00095  -0.00077   0.00018  -3.13966
   D26        0.00242   0.00000  -0.00137   0.00373   0.00236   0.00478
   D27        3.13910   0.00000  -0.00068  -0.00005  -0.00073   3.13836
   D28       -0.00312   0.00000   0.00149  -0.00428  -0.00279  -0.00591
   D29        3.12904   0.00004   0.00064  -0.00035   0.00029   3.12933
   D30       -0.00016   0.00001   0.00048  -0.00100  -0.00052  -0.00069
   D31        2.13838  -0.00015  -0.00508   0.00877   0.00369   2.14208
   D32       -1.99009   0.00021  -0.00371   0.00841   0.00470  -1.98539
   D33        0.02957  -0.00006  -0.00406   0.00863   0.00457   0.03414
   D34       -1.01736  -0.00013  -0.00490   0.00952   0.00463  -1.01273
   D35        1.13735   0.00023  -0.00353   0.00916   0.00564   1.14298
   D36       -3.12617  -0.00004  -0.00388   0.00938   0.00551  -3.12067
   D37       -0.00220  -0.00001   0.00066  -0.00226  -0.00160  -0.00380
   D38       -3.13453   0.00001   0.00034  -0.00053  -0.00019  -3.13472
   D39       -3.12985  -0.00003   0.00048  -0.00302  -0.00253  -3.13238
   D40        0.02101  -0.00001   0.00016  -0.00128  -0.00112   0.01989
   D41       -1.23987   0.00032   0.00249   0.01064   0.01314  -1.22673
   D42        1.34687   0.00039   0.01013  -0.01211  -0.00197   1.34489
   D43        2.88855  -0.00021   0.00094   0.01149   0.01244   2.90099
   D44       -0.80790  -0.00015   0.00858  -0.01126  -0.00268  -0.81057
   D45        0.89263   0.00001   0.00132   0.01273   0.01405   0.90668
   D46       -2.80382   0.00008   0.00896  -0.01002  -0.00106  -2.80488
   D47       -1.19729   0.00016   0.00699  -0.01053  -0.00354  -1.20083
   D48        3.02237   0.00011   0.00671  -0.00928  -0.00257   3.01980
   D49        0.91042   0.00021   0.00686  -0.00934  -0.00248   0.90795
   D50        2.46304  -0.00009  -0.00039   0.01119   0.01080   2.47384
   D51        0.39951  -0.00013  -0.00066   0.01243   0.01177   0.41129
   D52       -1.71243  -0.00004  -0.00051   0.01238   0.01187  -1.70057
   D53       -2.90669  -0.00041  -0.00610   0.00696   0.00087  -2.90582
   D54        0.22559   0.00092   0.00407   0.02603   0.03008   0.25567
   D55       -0.32727  -0.00040   0.00183  -0.01560  -0.01375  -0.34103
   D56        2.80500   0.00093   0.01200   0.00347   0.01546   2.82046
   D57        2.82591  -0.00075  -0.00352  -0.00882  -0.01234   2.81356
   D58        0.38981  -0.00070  -0.00323   0.01088   0.00763   0.39744
   D59       -0.32493   0.00056   0.00657   0.01007   0.01666  -0.30827
   D60       -2.76103   0.00062   0.00686   0.02978   0.03664  -2.72439
   D61       -1.71957  -0.00039   0.00210   0.01713   0.01921  -1.70035
   D62        2.44338   0.00028   0.00358   0.01211   0.01569   2.45907
   D63        0.38244   0.00003   0.00302   0.01371   0.01671   0.39915
   D64        0.75376  -0.00035   0.00199  -0.00182   0.00018   0.75394
   D65       -1.36648   0.00032   0.00348  -0.00684  -0.00335  -1.36983
   D66        2.85576   0.00006   0.00291  -0.00524  -0.00232   2.85345
   D67       -0.62476   0.00002   0.00109  -0.00455  -0.00346  -0.62822
   D68        2.46968   0.00071   0.00021  -0.00807  -0.00786   2.46182
   D69        1.47541   0.00024   0.00032  -0.00162  -0.00130   1.47411
   D70       -1.71334   0.00094  -0.00056  -0.00514  -0.00570  -1.71904
   D71       -2.69721  -0.00009   0.00009  -0.00241  -0.00231  -2.69952
   D72        0.39723   0.00061  -0.00078  -0.00593  -0.00672   0.39052
   D73        1.24758   0.00032   0.00374   0.00642   0.01016   1.25773
   D74       -2.86298   0.00012   0.00227   0.00682   0.00909  -2.85389
   D75       -0.82098   0.00008   0.00306   0.00761   0.01067  -0.81031
   D76       -0.84271   0.00029   0.00447   0.00238   0.00685  -0.83587
   D77        1.32991   0.00009   0.00300   0.00278   0.00578   1.33569
   D78       -2.91127   0.00004   0.00379   0.00357   0.00736  -2.90390
   D79       -2.97782   0.00043   0.00451   0.00461   0.00913  -2.96869
   D80       -0.80519   0.00023   0.00304   0.00502   0.00806  -0.79713
   D81        1.23681   0.00018   0.00384   0.00580   0.00964   1.24646
   D82        3.10178  -0.00088   0.00278   0.01094   0.01372   3.11550
   D83        0.17594  -0.00019   0.00010   0.00712   0.00722   0.18316
   D84       -0.08674  -0.00018   0.00190   0.00751   0.00941  -0.07733
   D85       -3.01258   0.00051  -0.00078   0.00369   0.00291  -3.00966
   D86        2.45571   0.00044  -0.00586  -0.02115  -0.02701   2.42870
   D87       -1.66535   0.00114  -0.00629  -0.01988  -0.02617  -1.69151
   D88        0.41416   0.00025  -0.00554  -0.02314  -0.02867   0.38548
   D89       -0.89140  -0.00021  -0.00329  -0.01745  -0.02074  -0.91214
   D90        1.27073   0.00049  -0.00371  -0.01618  -0.01990   1.25083
   D91       -2.93296  -0.00040  -0.00296  -0.01944  -0.02240  -2.95536
   D92        1.07926  -0.00060  -0.00028   0.00360   0.00332   1.08258
   D93       -1.06583  -0.00059  -0.00051   0.00519   0.00468  -1.06115
   D94       -3.04337  -0.00059  -0.00038   0.00559   0.00521  -3.03816
   D95       -1.07244   0.00045  -0.00103   0.00565   0.00462  -1.06783
   D96        3.06566   0.00046  -0.00126   0.00723   0.00597   3.07163
   D97        1.08811   0.00046  -0.00113   0.00764   0.00651   1.09462
   D98        3.11444   0.00011  -0.00074   0.00515   0.00441   3.11885
   D99        0.96935   0.00012  -0.00097   0.00673   0.00576   0.97511
   D100      -1.00819   0.00012  -0.00084   0.00714   0.00630  -1.00190
   D101       1.15367  -0.00038  -0.00164   0.00298   0.00135   1.15501
   D102      -0.95090  -0.00021  -0.00282   0.00433   0.00152  -0.94939
   D103      -2.96692  -0.00055  -0.00240   0.00279   0.00039  -2.96653
   D104      -2.99569   0.00018  -0.00173   0.00439   0.00266  -2.99303
   D105       1.18292   0.00035  -0.00291   0.00574   0.00284   1.18575
   D106      -0.83310   0.00001  -0.00248   0.00420   0.00171  -0.83139
   D107      -0.90943   0.00030  -0.00216   0.00584   0.00368  -0.90575
   D108      -3.01400   0.00048  -0.00334   0.00719   0.00385  -3.01015
   D109       1.25317   0.00014  -0.00292   0.00564   0.00272   1.25589
   D110      -1.61807   0.00007  -0.00093   0.01168   0.01075  -1.60731
   D111       1.53329   0.00005  -0.00076   0.01109   0.01033   1.54361
   D112       0.51328   0.00009  -0.00076   0.01023   0.00947   0.52275
   D113      -2.61855   0.00007  -0.00060   0.00964   0.00905  -2.60951
   D114       2.51727   0.00010  -0.00082   0.01002   0.00919   2.52647
   D115      -0.61456   0.00008  -0.00066   0.00943   0.00877  -0.60579
   D116      -3.14069  -0.00002   0.00004  -0.00098  -0.00094   3.14155
   D117      -0.00944  -0.00002   0.00004  -0.00086  -0.00081  -0.01026
   D118      -0.00876   0.00000  -0.00012  -0.00040  -0.00052  -0.00928
   D119       3.12249   0.00000  -0.00011  -0.00028  -0.00039   3.12210
   D120       3.14122   0.00002   0.00000   0.00066   0.00066  -3.14130
   D121       0.00610   0.00001   0.00003   0.00133   0.00136   0.00747
   D122       0.00934  -0.00001   0.00016   0.00008   0.00023   0.00958
   D123      -3.12578  -0.00001   0.00019   0.00074   0.00094  -3.12484
   D124       0.00184   0.00000   0.00002   0.00037   0.00039   0.00223
   D125       3.14011   0.00001  -0.00001   0.00045   0.00044   3.14055
   D126      -3.12945   0.00001   0.00001   0.00025   0.00026  -3.12919
   D127       0.00882   0.00001  -0.00002   0.00033   0.00031   0.00913
   D128       0.00453   0.00000   0.00004  -0.00001   0.00004   0.00457
   D129      -3.14154   0.00000  -0.00004   0.00005   0.00001  -3.14153
   D130      -3.13373   0.00000   0.00007  -0.00009  -0.00001  -3.13374
   D131       0.00339   0.00000  -0.00001  -0.00003  -0.00004   0.00335
   D132      -0.00394   0.00000  -0.00001  -0.00032  -0.00032  -0.00427
   D133       3.13579  -0.00001  -0.00006  -0.00047  -0.00053   3.13526
   D134      -3.14106  -0.00001   0.00008  -0.00037  -0.00030  -3.14136
   D135      -0.00133  -0.00001   0.00002  -0.00052  -0.00050  -0.00183
   D136      -0.00302   0.00001  -0.00009   0.00028   0.00019  -0.00283
   D137       3.13213   0.00001  -0.00013  -0.00038  -0.00051   3.13162
   D138       3.14043   0.00001  -0.00004   0.00043   0.00039   3.14082
   D139      -0.00761   0.00001  -0.00008  -0.00023  -0.00031  -0.00792
   D140      -1.72464   0.00036   0.00310   0.01491   0.01801  -1.70663
   D141       2.55687   0.00016   0.00315   0.01183   0.01498   2.57185
   D142       0.35092   0.00015   0.00374   0.01288   0.01662   0.36754
   D143       0.39919   0.00009   0.00434   0.01380   0.01814   0.41733
   D144      -1.60248  -0.00011   0.00439   0.01072   0.01511  -1.58737
   D145       2.47476  -0.00012   0.00497   0.01177   0.01674   2.49150
   D146       2.41343   0.00041   0.00388   0.01522   0.01910   2.43253
   D147       0.41176   0.00021   0.00393   0.01214   0.01607   0.42783
   D148      -1.79419   0.00020   0.00452   0.01319   0.01771  -1.77648
   D149       2.39925  -0.00015   0.00281  -0.00617  -0.00336   2.39589
   D150      -1.79693  -0.00063   0.00285  -0.00868  -0.00583  -1.80276
   D151       0.28979  -0.00005   0.00285  -0.00295  -0.00010   0.28969
   D152      -1.16247  -0.00003  -0.00371  -0.03858  -0.04229  -1.20476
   D153       2.95126   0.00053  -0.00578  -0.03348  -0.03925   2.91202
   D154       0.94968   0.00013  -0.00493  -0.03874  -0.04368   0.90600
   D155       3.12754  -0.00027  -0.00399  -0.03825  -0.04223   3.08531
   D156       0.95808   0.00028  -0.00605  -0.03314  -0.03918   0.91890
   D157      -1.04350  -0.00011  -0.00521  -0.03840  -0.04362  -1.08711
   D158       1.05729  -0.00034  -0.00446  -0.04214  -0.04660   1.01069
   D159      -1.11216   0.00022  -0.00652  -0.03703  -0.04355  -1.15571
   D160      -3.11375  -0.00018  -0.00568  -0.04230  -0.04798   3.12146
   D161       3.01942  -0.00041   0.00192  -0.01457  -0.01265   3.00676
   D162      -1.11402  -0.00051   0.00262  -0.01633  -0.01370  -1.12772
   D163       0.88620  -0.00048   0.00287  -0.01419  -0.01132   0.87488
   D164      -1.14322   0.00034   0.00220  -0.01279  -0.01059  -1.15381
   D165       1.00653   0.00024   0.00290  -0.01455  -0.01164   0.99489
   D166       3.00675   0.00026   0.00315  -0.01241  -0.00926   2.99749
   D167       0.91626  -0.00007   0.00228  -0.01567  -0.01340   0.90285
   D168       3.06601  -0.00017   0.00298  -0.01743  -0.01445   3.05155
   D169      -1.21695  -0.00015   0.00323  -0.01529  -0.01207  -1.22902
   D170       1.42689   0.00004  -0.00274   0.00874   0.00602   1.43291
   D171      -1.63174   0.00001   0.00610   0.04855   0.05461  -1.57713
   D172      -0.72376   0.00002  -0.00317   0.01191   0.00878  -0.71499
   D173       2.50079   0.00000   0.00568   0.05172   0.05737   2.55816
   D174      -2.82150   0.00013  -0.00287   0.01478   0.01194  -2.80956
   D175       0.40306   0.00011   0.00597   0.05459   0.06053   0.46359
   D176       1.78957  -0.00009   0.00104   0.00465   0.00569   1.79526
   D177      -1.35740  -0.00006   0.00053   0.00478   0.00531  -1.35209
   D178      -0.35494   0.00010  -0.00040   0.00785   0.00745  -0.34749
   D179       2.78127   0.00013  -0.00091   0.00798   0.00708   2.78835
   D180      -2.36504  -0.00006   0.00036   0.00355   0.00391  -2.36113
   D181       0.77117  -0.00003  -0.00014   0.00368   0.00354   0.77471
   D182       3.13641   0.00000  -0.00029  -0.00093  -0.00122   3.13519
   D183      -0.00647  -0.00003  -0.00004  -0.00375  -0.00379  -0.01026
   D184       0.00016  -0.00003   0.00021  -0.00106  -0.00085  -0.00069
   D185       3.14047  -0.00005   0.00047  -0.00388  -0.00341   3.13706
   D186      -3.13689   0.00000   0.00023   0.00101   0.00123  -3.13565
   D187       0.00306  -0.00001   0.00032   0.00083   0.00115   0.00421
   D188      -0.00066   0.00003  -0.00027   0.00114   0.00086   0.00020
   D189       3.13929   0.00002  -0.00018   0.00097   0.00078   3.14007
   D190       0.00040   0.00001  -0.00002   0.00021   0.00019   0.00058
   D191      -3.14106   0.00000   0.00009  -0.00052  -0.00043  -3.14149
   D192      -3.13990   0.00004  -0.00028   0.00304   0.00277  -3.13714
   D193       0.00182   0.00003  -0.00016   0.00231   0.00215   0.00397
   D194      -0.00046   0.00001  -0.00010   0.00057   0.00047   0.00001
   D195      -3.14119   0.00000   0.00004  -0.00047  -0.00042   3.14157
   D196       3.14100   0.00002  -0.00022   0.00130   0.00108  -3.14110
   D197       0.00027   0.00000  -0.00007   0.00026   0.00019   0.00046
   D198      -0.00004  -0.00001   0.00004  -0.00049  -0.00045  -0.00050
   D199      -3.14058  -0.00001   0.00013  -0.00082  -0.00069  -3.14127
   D200       3.14069   0.00000  -0.00011   0.00055   0.00044   3.14113
   D201       0.00015   0.00000  -0.00002   0.00022   0.00020   0.00035
   D202       0.00060  -0.00001   0.00015  -0.00036  -0.00021   0.00039
   D203      -3.13935   0.00000   0.00006  -0.00019  -0.00013  -3.13948
   D204       3.14114  -0.00001   0.00006  -0.00004   0.00002   3.14117
   D205       0.00119   0.00000  -0.00003   0.00013   0.00011   0.00129
   D206       0.07850   0.00006   0.00826   0.01877   0.02706   0.10556
   D207      -3.08780  -0.00015   0.00398   0.02391   0.02791  -3.05988
   D208       3.13499   0.00009  -0.00079  -0.02221  -0.02302   3.11197
   D209      -0.03131  -0.00013  -0.00507  -0.01706  -0.02216  -0.05348
   D210       2.94486   0.00047  -0.00480   0.01010   0.00529   2.95015
   D211      -0.21898   0.00026  -0.00866   0.01473   0.00608  -0.21291
   D212      -1.59401  -0.00001  -0.00036  -0.00942  -0.00978  -1.60378
   D213       2.61661   0.00003  -0.00034  -0.00927  -0.00961   2.60700
   D214       0.58246   0.00012  -0.00081  -0.00766  -0.00847   0.57399
   D215      -0.68863  -0.00008  -0.00216  -0.04864  -0.05080  -0.73943
   D216       2.44091  -0.00001  -0.00340  -0.05270  -0.05611   2.38481
   D217       1.26098  -0.00007  -0.00245  -0.04926  -0.05171   1.20927
   D218      -1.89267  -0.00001  -0.00369  -0.05332  -0.05702  -1.94968
   D219      -2.82089  -0.00013  -0.00153  -0.04988  -0.05140  -2.87229
   D220       0.30865  -0.00006  -0.00277  -0.05393  -0.05671   0.25194
   D221       3.13386   0.00007  -0.00190   0.00011  -0.00178   3.13209
   D222      -0.00332  -0.00004  -0.00132  -0.00508  -0.00639  -0.00971
   D223       0.00317   0.00001  -0.00076   0.00377   0.00300   0.00617
   D224      -3.13401  -0.00010  -0.00019  -0.00143  -0.00162  -3.13563
   D225      -3.13983  -0.00004   0.00210  -0.00122   0.00089  -3.13893
   D226      -0.00816   0.00001   0.00108  -0.00458  -0.00350  -0.01166
   D227       0.00604  -0.00004  -0.00017  -0.00028  -0.00045   0.00560
   D228      -3.13956   0.00006  -0.00069   0.00445   0.00376  -3.13580
   D229      -0.01231   0.00005   0.00102  -0.00337  -0.00235  -0.01467
   D230       3.13415  -0.00004  -0.00053   0.00216   0.00163   3.13579
   D231       0.01208  -0.00004  -0.00124   0.00468   0.00345   0.01553
   D232      -3.13415   0.00005   0.00024  -0.00059  -0.00036  -3.13451
   D233      -0.52386  -0.00032  -0.01353  -0.12649  -0.14001  -0.66387
   D234       1.56966  -0.00035  -0.01521  -0.12841  -0.14362   1.42605
   D235      -2.62854  -0.00003  -0.01542  -0.12420  -0.13962  -2.76816
   D236      -2.68058  -0.00028  -0.01221  -0.12864  -0.14085  -2.82143
   D237      -0.58707  -0.00031  -0.01389  -0.13056  -0.14445  -0.73152
   D238       1.49791   0.00001  -0.01410  -0.12635  -0.14045   1.35746
   D239       1.52646  -0.00016  -0.01295  -0.12596  -0.13890   1.38756
   D240      -2.66321  -0.00020  -0.01463  -0.12788  -0.14251  -2.80571
   D241      -0.57823   0.00012  -0.01484  -0.12367  -0.13851  -0.71673
   D242       3.04769   0.00019   0.00019   0.02360   0.02380   3.07148
   D243      -1.15053   0.00005   0.00029   0.02244   0.02273  -1.12780
   D244       0.96771   0.00015  -0.00014   0.02231   0.02217   0.98988
   D245      -1.04511   0.00008  -0.00207   0.02568   0.02361  -1.02150
   D246       1.03986  -0.00006  -0.00197   0.02452   0.02254   1.06241
   D247      -3.12508   0.00005  -0.00240   0.02439   0.02199  -3.10310
   D248       1.02830   0.00014  -0.00095   0.02199   0.02104   1.04934
   D249       3.11327   0.00000  -0.00086   0.02083   0.01997   3.13324
   D250      -1.05167   0.00011  -0.00128   0.02070   0.01942  -1.03226
   D251       0.00289   0.00001  -0.00116   0.00354   0.00238   0.00527
   D252       3.13593  -0.00001  -0.00086   0.00191   0.00105   3.13698
         Item               Value     Threshold  Converged?
 Maximum Force            0.001979     0.000450     NO 
 RMS     Force            0.000312     0.000300     NO 
 Maximum Displacement     0.372018     0.001800     NO 
 RMS     Displacement     0.095548     0.001200     NO 
 Predicted change in Energy=-2.122114D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.095333   -2.800645   -0.439175
      2          6           0       -9.062070   -1.318881   -0.826034
      3          6           0      -10.105162   -0.506013   -0.053263
      4          6           0       -7.692925   -0.756355   -0.606778
      5          7           0       -6.882052   -0.293339   -1.528205
      6          6           0       -5.654212    0.165423   -0.984090
      7          6           0       -4.636286    0.704830   -1.949889
      8          7           0       -4.213312    2.096539   -1.661977
      9          6           0       -5.258133    3.122837   -1.926391
     10          6           0       -3.301915    2.402476   -0.619546
     11          8           0       -3.142796    3.552235   -0.226641
     12          7           0       -2.552117    1.325783   -0.054807
     13          6           0       -1.329403    1.703875    0.700274
     14          6           0       -0.111588    1.551736   -0.231829
     15          8           0       -0.036543    0.655378   -1.064783
     16          7           0        0.871426    2.523626   -0.122006
     17          6           0        2.106648    2.458870   -0.949030
     18          6           0        2.464098    3.879817   -1.445105
     19          6           0        2.766455    4.861933   -0.347408
     20          6           0        1.740912    5.663096    0.179800
     21          6           0        2.018404    6.576680    1.199886
     22          6           0        3.318407    6.700858    1.700032
     23          6           0        4.343413    5.910060    1.171256
     24          6           0        4.072027    4.994776    0.150615
     25          6           0        3.261932    1.814916   -0.158385
     26          6           0        2.993963    0.339897    0.152907
     27          8           0        2.484798    0.332013    1.503485
     28          6           0        4.300354   -0.517191    0.180023
     29          6           0        4.897894   -0.650518   -1.229362
     30          6           0        6.249527   -1.309429   -1.210237
     31          6           0        6.380120   -2.654498   -1.588546
     32          6           0        7.636379   -3.264402   -1.578200
     33          6           0        8.768465   -2.539337   -1.190816
     34          6           0        8.639638   -1.199349   -0.812988
     35          6           0        7.385145   -0.582728   -0.821693
     36          7           0        3.983289   -1.833610    0.794895
     37          6           0        3.417460   -2.885039    0.106662
     38          8           0        3.165654   -3.009891   -1.073972
     39          8           0        3.172401   -3.905459    1.039119
     40          6           0        2.351026   -5.012642    0.569130
     41          6           0        0.936975   -4.718661    0.890945
     42          6           0        0.407173   -4.190259    2.038907
     43          7           0       -0.992170   -4.017548    2.034714
     44          6           0       -1.533442   -4.412147    0.905887
     45         16           0       -0.339213   -5.010496   -0.255796
     46          6           0       -1.197876    0.796383    1.957871
     47          6           0       -0.799990   -0.640746    1.616669
     48          6           0       -0.207495    1.422704    2.942112
     49          6           0       -5.536485    0.047471    0.371427
     50         16           0       -6.984560   -0.647965    1.027025
     51          1           0      -10.071499   -3.242925   -0.672327
     52          1           0       -8.337114   -3.374731   -0.986580
     53          1           0       -8.918068   -2.956415    0.631436
     54          1           0       -9.294550   -1.237303   -1.926547
     55          1           0       -9.998473   -0.615928    1.032439
     56          1           0      -10.034391    0.564248   -0.284659
     57          1           0      -11.120834   -0.828529   -0.312188
     58          1           0       -3.742973    0.034980   -1.969650
     59          1           0       -5.047779    0.687053   -2.993560
     60          1           0       -5.424626    3.188407   -3.014426
     61          1           0       -4.916262    4.115103   -1.572453
     62          1           0       -6.213926    2.887857   -1.431346
     63          1           0       -2.420949    0.476697   -0.622589
     64          1           0       -1.442158    2.775677    1.041522
     65          1           0        0.868819    3.199640    0.639377
     66          1           0        1.877450    1.819867   -1.850994
     67          1           0        1.620743    4.256848   -2.066950
     68          1           0        3.320720    3.810905   -2.146754
     69          1           0        0.726920    5.581736   -0.211538
     70          1           0        1.218179    7.196038    1.603868
     71          1           0        3.532471    7.412754    2.494390
     72          1           0        5.358113    6.008545    1.554474
     73          1           0        4.877776    4.391080   -0.260329
     74          1           0        3.414497    2.352583    0.805685
     75          1           0        4.206691    1.940363   -0.719753
     76          1           0        2.235634   -0.106206   -0.533973
     77          1           0        1.711677   -0.294706    1.573714
     78          1           0        5.046283   -0.027709    0.863471
     79          1           0        4.195812   -1.220119   -1.886096
     80          1           0        4.974213    0.354913   -1.693939
     81          1           0        5.494311   -3.220706   -1.886893
     82          1           0        7.733703   -4.308249   -1.872499
     83          1           0        9.745695   -3.016656   -1.183597
     84          1           0        9.519051   -0.633071   -0.511481
     85          1           0        7.294581    0.459836   -0.528348
     86          1           0        4.095538   -1.900884    1.807182
     87          1           0        2.755165   -5.860127    1.164280
     88          1           0        2.538930   -5.181066   -0.512477
     89          1           0        0.955423   -3.899523    2.930875
     90          1           0       -2.590279   -4.383196    0.668377
     91          1           0       -2.210370    0.772605    2.440472
     92          1           0       -1.280885   -0.997492    0.698891
     93          1           0        0.283364   -0.754689    1.458579
     94          1           0       -1.073763   -1.333383    2.423768
     95          1           0       -0.154249    0.834869    3.866264
     96          1           0        0.815126    1.471227    2.536526
     97          1           0       -0.497145    2.439303    3.228577
     98          1           0       -4.704381    0.332681    0.998327
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0633071      0.0293265      0.0218185
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3550.3735107484 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.246843995759     A.U. after   18 cycles
             Convg  =    0.5466D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001404    0.000196156    0.000017279
      2        6           0.000113808    0.000070932    0.000043907
      3        6          -0.000056552    0.000097117   -0.000066753
      4        6           0.000111928   -0.000181291   -0.000098778
      5        7          -0.000119884    0.000154607   -0.000071739
      6        6           0.000105467   -0.000017087    0.000410570
      7        6           0.000021509   -0.000245468   -0.000417156
      8        7          -0.000086394   -0.000006099   -0.000172920
      9        6          -0.000420627    0.000359111   -0.000125002
     10        6          -0.000469036   -0.000129198    0.000683205
     11        8           0.000245067    0.000021639    0.000247287
     12        7          -0.000624556   -0.000540869   -0.000818329
     13        6           0.000383452   -0.000135599   -0.000125470
     14        6           0.000505488    0.000358702   -0.000521521
     15        8          -0.000285057    0.000076100    0.000086087
     16        7          -0.000362318   -0.000280515    0.000219992
     17        6           0.000795880   -0.000396725   -0.000874737
     18        6           0.000154579    0.000372751    0.000084750
     19        6           0.000015250    0.000061114    0.000056084
     20        6          -0.000065187   -0.000099687    0.000190324
     21        6           0.000033883    0.000055794   -0.000013146
     22        6          -0.000112658    0.000009431    0.000006262
     23        6           0.000003696    0.000042982    0.000000080
     24        6           0.000085034    0.000028204   -0.000105529
     25        6          -0.000468545   -0.001007348   -0.000183480
     26        6          -0.000240669    0.000464517    0.000326145
     27        8           0.000730434    0.001563640    0.001664759
     28        6           0.001372729    0.000144927   -0.000110666
     29        6          -0.000535232   -0.000276159   -0.000480646
     30        6           0.000062832    0.000068299   -0.000132072
     31        6           0.000309685   -0.000014154    0.000005313
     32        6          -0.000092018    0.000034037    0.000053846
     33        6           0.000034268    0.000087249    0.000051439
     34        6           0.000165074   -0.000035805   -0.000055488
     35        6          -0.000330189   -0.000092983    0.000078863
     36        7          -0.000899006   -0.000683683    0.000106461
     37        6           0.001121771   -0.000013422    0.001113397
     38        8          -0.000147476    0.000625200   -0.000265621
     39        8          -0.000374612    0.000046368   -0.000426821
     40        6           0.000255483    0.000210730    0.000296523
     41        6          -0.000242277   -0.000079457   -0.000267686
     42        6          -0.000102429    0.000393472    0.000171678
     43        7          -0.000143366    0.000069580    0.000264165
     44        6          -0.000079647   -0.000069477   -0.000479443
     45       16           0.000026456    0.000041520    0.000223665
     46        6          -0.000317925    0.000137782    0.000195999
     47        6          -0.001095052   -0.001136842    0.000062330
     48        6          -0.000046168   -0.000234201   -0.000410151
     49        6           0.000156075    0.000000338   -0.000220473
     50       16          -0.000059707    0.000071014    0.000178015
     51        1          -0.000033753   -0.000060267   -0.000014580
     52        1           0.000033973   -0.000081016    0.000044672
     53        1          -0.000024726   -0.000014921    0.000062507
     54        1           0.000006817   -0.000081245   -0.000112905
     55        1           0.000056944   -0.000066721   -0.000013549
     56        1          -0.000031726    0.000012780   -0.000010456
     57        1          -0.000014430   -0.000017845    0.000098900
     58        1          -0.000193520    0.000159434   -0.000230939
     59        1           0.000198031    0.000061885    0.000251647
     60        1           0.000014774    0.000022734    0.000108320
     61        1           0.000082511   -0.000142751   -0.000052777
     62        1           0.000104045   -0.000086255   -0.000000279
     63        1           0.000281970    0.000101832    0.000297304
     64        1          -0.000027988    0.000241611   -0.000088635
     65        1          -0.000044795   -0.000082029    0.000057469
     66        1          -0.000173618    0.000228425   -0.000158993
     67        1          -0.000147645   -0.000048735   -0.000047934
     68        1          -0.000067862    0.000005967    0.000136537
     69        1           0.000010839    0.000029602   -0.000029097
     70        1          -0.000011291    0.000007697   -0.000000509
     71        1           0.000019455    0.000027006    0.000004833
     72        1           0.000029368    0.000008572   -0.000015960
     73        1           0.000007052    0.000007443    0.000054833
     74        1          -0.000065353   -0.000025346   -0.000173929
     75        1          -0.000149540    0.000023940   -0.000140077
     76        1          -0.000075161   -0.000080695    0.000288675
     77        1           0.000051108   -0.000714182   -0.000865194
     78        1           0.000235269   -0.000366809    0.000354738
     79        1          -0.000158268    0.000382352   -0.000223105
     80        1           0.000037603    0.000349471   -0.000276092
     81        1          -0.000220292   -0.000177543   -0.000038412
     82        1          -0.000014914   -0.000013473   -0.000025432
     83        1           0.000016616    0.000024601   -0.000020402
     84        1          -0.000000073   -0.000006348   -0.000004113
     85        1           0.000041901    0.000010430   -0.000014274
     86        1           0.000089738   -0.000007549    0.000182035
     87        1           0.000245994   -0.000181182   -0.000127774
     88        1           0.000028763   -0.000063618   -0.000030927
     89        1           0.000036677   -0.000033487   -0.000012760
     90        1          -0.000035379    0.000007275    0.000160815
     91        1           0.000425881    0.000104508   -0.000063574
     92        1           0.000443686    0.000661723    0.000332769
     93        1          -0.000611239   -0.000600349   -0.000904257
     94        1           0.000549879    0.000294335    0.000123122
     95        1          -0.000246379   -0.000086625    0.000240671
     96        1           0.000027552    0.000002773    0.000229318
     97        1           0.000175149    0.000025560    0.000097139
     98        1           0.000061691    0.000049788    0.000175835
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001664759 RMS     0.000325836

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002793697 RMS     0.000450880
 Search for a local minimum.
 Step number  27 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   26   27
 DE= -2.11D-04 DEPred=-2.12D-04 R= 9.93D-01
 SS=  1.41D+00  RLast= 5.02D-01 DXNew= 2.9263D+00 1.5055D+00
 Trust test= 9.93D-01 RLast= 5.02D-01 DXMaxT set to 1.74D+00
     Eigenvalues ---    0.00043   0.00134   0.00202   0.00319   0.00388
     Eigenvalues ---    0.00462   0.00570   0.00601   0.00654   0.00678
     Eigenvalues ---    0.00729   0.00823   0.00914   0.00936   0.00946
     Eigenvalues ---    0.00950   0.01061   0.01095   0.01179   0.01233
     Eigenvalues ---    0.01271   0.01284   0.01393   0.01395   0.01422
     Eigenvalues ---    0.01442   0.01521   0.01567   0.01595   0.01683
     Eigenvalues ---    0.01748   0.01836   0.01880   0.01927   0.01985
     Eigenvalues ---    0.02079   0.02175   0.02194   0.02200   0.02203
     Eigenvalues ---    0.02220   0.02258   0.02269   0.02288   0.02304
     Eigenvalues ---    0.02329   0.02373   0.02405   0.02408   0.02414
     Eigenvalues ---    0.02447   0.02482   0.02485   0.02506   0.02527
     Eigenvalues ---    0.02528   0.02648   0.02699   0.02761   0.03241
     Eigenvalues ---    0.03355   0.03884   0.04027   0.04129   0.04192
     Eigenvalues ---    0.04292   0.04431   0.04546   0.04721   0.04790
     Eigenvalues ---    0.04931   0.04964   0.05026   0.05074   0.05177
     Eigenvalues ---    0.05221   0.05345   0.05358   0.05414   0.05441
     Eigenvalues ---    0.05530   0.05564   0.05595   0.05721   0.05748
     Eigenvalues ---    0.05805   0.05842   0.05910   0.05970   0.06010
     Eigenvalues ---    0.06222   0.06388   0.06475   0.06601   0.06908
     Eigenvalues ---    0.07136   0.07514   0.07557   0.07984   0.08069
     Eigenvalues ---    0.08608   0.09071   0.09699   0.09851   0.10308
     Eigenvalues ---    0.11914   0.12903   0.12944   0.13126   0.13437
     Eigenvalues ---    0.13570   0.13892   0.14322   0.15535   0.15699
     Eigenvalues ---    0.15874   0.15930   0.15947   0.15957   0.15992
     Eigenvalues ---    0.15996   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16001   0.16002   0.16006
     Eigenvalues ---    0.16013   0.16015   0.16044   0.16053   0.16072
     Eigenvalues ---    0.16102   0.16147   0.16228   0.16587   0.16894
     Eigenvalues ---    0.17042   0.17457   0.17736   0.17971   0.18139
     Eigenvalues ---    0.18502   0.18873   0.19492   0.20326   0.21589
     Eigenvalues ---    0.21641   0.21852   0.21928   0.21998   0.22000
     Eigenvalues ---    0.22001   0.22013   0.22047   0.22219   0.22598
     Eigenvalues ---    0.22804   0.22973   0.23441   0.23487   0.23592
     Eigenvalues ---    0.23661   0.23733   0.24247   0.24369   0.24721
     Eigenvalues ---    0.24901   0.24966   0.25001   0.25020   0.25095
     Eigenvalues ---    0.25180   0.25432   0.25661   0.26078   0.29087
     Eigenvalues ---    0.29450   0.29650   0.29754   0.29862   0.30084
     Eigenvalues ---    0.30204   0.30293   0.30426   0.30732   0.30927
     Eigenvalues ---    0.31298   0.31351   0.31433   0.31466   0.31469
     Eigenvalues ---    0.31593   0.31646   0.31704   0.31879   0.31999
     Eigenvalues ---    0.32259   0.32340   0.32523   0.32530   0.32658
     Eigenvalues ---    0.32724   0.32777   0.32834   0.32923   0.32974
     Eigenvalues ---    0.33014   0.33051   0.33083   0.33166   0.33207
     Eigenvalues ---    0.33333   0.33382   0.33523   0.33568   0.33670
     Eigenvalues ---    0.33704   0.33893   0.33951   0.33985   0.33990
     Eigenvalues ---    0.34167   0.34235   0.34311   0.34346   0.34390
     Eigenvalues ---    0.34493   0.34553   0.34668   0.34788   0.35090
     Eigenvalues ---    0.35452   0.36135   0.36250   0.36313   0.36376
     Eigenvalues ---    0.36629   0.36793   0.36835   0.36964   0.37356
     Eigenvalues ---    0.38437   0.38805   0.39236   0.41014   0.41236
     Eigenvalues ---    0.41481   0.42444   0.42650   0.43232   0.43424
     Eigenvalues ---    0.43871   0.44104   0.44770   0.45152   0.46266
     Eigenvalues ---    0.47529   0.48277   0.48361   0.48566   0.48770
     Eigenvalues ---    0.48969   0.49027   0.49575   0.49973   0.50612
     Eigenvalues ---    0.50997   0.51262   0.51392   0.56296   0.57102
     Eigenvalues ---    0.58390   0.59434   0.62623   0.65189   0.76062
     Eigenvalues ---    0.78264   0.83738   1.152131000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    27   26   25   24   23
 RFO step:  Lambda=-1.59409643D-04.
 DIIS coeffs:      1.05350     -0.25662      0.49790     -0.18108     -0.11370
 Iteration  1 RMS(Cart)=  0.04880451 RMS(Int)=  0.00126609
 Iteration  2 RMS(Cart)=  0.00159911 RMS(Int)=  0.00006570
 Iteration  3 RMS(Cart)=  0.00000400 RMS(Int)=  0.00006563
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00006563
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89467   0.00012   0.00029   0.00000   0.00029   2.89496
    R2        2.07257  -0.00007  -0.00007  -0.00029  -0.00036   2.07220
    R3        2.07364  -0.00007  -0.00001  -0.00004  -0.00005   2.07359
    R4        2.07172   0.00006  -0.00008   0.00036   0.00027   2.07200
    R5        2.89441  -0.00005  -0.00024  -0.00013  -0.00037   2.89404
    R6        2.82769   0.00008  -0.00011   0.00063   0.00051   2.82821
    R7        2.13115   0.00004   0.00001   0.00017   0.00018   2.13133
    R8        2.07200   0.00003  -0.00002   0.00036   0.00033   2.07233
    R9        2.07355   0.00000  -0.00007  -0.00014  -0.00021   2.07334
   R10        2.07238  -0.00002   0.00008  -0.00002   0.00006   2.07244
   R11        2.47902   0.00007  -0.00010   0.00090   0.00080   2.47982
   R12        3.37137  -0.00002   0.00006  -0.00189  -0.00183   3.36954
   R13        2.68189   0.00009   0.00002  -0.00049  -0.00047   2.68142
   R14        2.84082   0.00053   0.00033   0.00005   0.00038   2.84120
   R15        2.58084   0.00007   0.00009   0.00060   0.00069   2.58153
   R16        2.80206   0.00009   0.00004  -0.00003   0.00002   2.80208
   R17        2.11032   0.00012  -0.00007   0.00040   0.00033   2.11065
   R18        2.12028  -0.00010   0.00001  -0.00012  -0.00011   2.12017
   R19        2.81236  -0.00016  -0.00023   0.00092   0.00068   2.81304
   R20        2.67975   0.00031  -0.00044   0.00459   0.00416   2.68391
   R21        2.08371  -0.00007   0.00003   0.00022   0.00025   2.08396
   R22        2.09303   0.00016   0.00002   0.00024   0.00026   2.09329
   R23        2.08198   0.00007  -0.00002  -0.00035  -0.00037   2.08161
   R24        2.31570  -0.00006  -0.00003  -0.00065  -0.00067   2.31502
   R25        2.69933  -0.00069  -0.00095  -0.00120  -0.00215   2.69718
   R26        2.80809  -0.00058  -0.00087   0.00020  -0.00066   2.80743
   R27        1.94608  -0.00001  -0.00050  -0.00098  -0.00147   1.94460
   R28        2.91229  -0.00068  -0.00001   0.00012   0.00010   2.91239
   R29        2.94118   0.00006  -0.00003  -0.00062  -0.00065   2.94053
   R30        2.13624  -0.00017   0.00002  -0.00035  -0.00034   2.13591
   R31        2.31667   0.00019   0.00005  -0.00022  -0.00018   2.31649
   R32        2.62049  -0.00098   0.00016   0.00002   0.00018   2.62067
   R33        2.81178  -0.00102   0.00021  -0.00144  -0.00122   2.81056
   R34        1.92410   0.00007   0.00007  -0.00114  -0.00107   1.92302
   R35        2.92325  -0.00054  -0.00022  -0.00052  -0.00074   2.92250
   R36        2.91194   0.00010   0.00007   0.00045   0.00053   2.91247
   R37        2.13330   0.00028  -0.00005   0.00098   0.00093   2.13422
   R38        2.84145  -0.00016   0.00005  -0.00050  -0.00045   2.84100
   R39        2.10439  -0.00009   0.00002  -0.00022  -0.00019   2.10419
   R40        2.09654   0.00000   0.00004   0.00022   0.00025   2.09680
   R41        2.65340  -0.00007  -0.00001   0.00019   0.00018   2.65358
   R42        2.65249  -0.00012  -0.00007   0.00004  -0.00003   2.65246
   R43        2.64036  -0.00008   0.00003  -0.00026  -0.00023   2.64012
   R44        2.05967   0.00003  -0.00006   0.00021   0.00015   2.05982
   R45        2.64263   0.00001  -0.00005   0.00037   0.00032   2.64295
   R46        2.05899  -0.00001   0.00000   0.00007   0.00007   2.05906
   R47        2.64265  -0.00007   0.00001  -0.00016  -0.00015   2.64250
   R48        2.05592  -0.00002   0.00001  -0.00005  -0.00003   2.05589
   R49        2.64096  -0.00008  -0.00007   0.00040   0.00033   2.64128
   R50        2.05813  -0.00003   0.00003  -0.00008  -0.00005   2.05808
   R51        2.05499   0.00000   0.00004  -0.00010  -0.00006   2.05493
   R52        2.89344   0.00206   0.00045   0.00017   0.00062   2.89406
   R53        2.10583  -0.00005   0.00047  -0.00163  -0.00116   2.10467
   R54        2.09021   0.00020  -0.00057   0.00220   0.00164   2.09185
   R55        2.72761   0.00061   0.00021   0.00012   0.00033   2.72794
   R56        2.95305  -0.00061  -0.00029   0.00010  -0.00019   2.95286
   R57        2.10929  -0.00015   0.00034  -0.00194  -0.00160   2.10769
   R58        1.88540  -0.00088   0.00203  -0.00423  -0.00221   1.88319
   R59        2.90379   0.00126   0.00037  -0.00128  -0.00091   2.90287
   R60        2.81027   0.00093   0.00001   0.00001   0.00003   2.81030
   R61        2.12382   0.00031   0.00009   0.00117   0.00126   2.12509
   R62        2.84179   0.00000   0.00013   0.00025   0.00037   2.84216
   R63        2.11165   0.00034   0.00059  -0.00153  -0.00093   2.11071
   R64        2.09798   0.00012  -0.00026   0.00111   0.00085   2.09883
   R65        2.65194  -0.00011   0.00004  -0.00058  -0.00054   2.65140
   R66        2.65147   0.00014  -0.00007   0.00071   0.00065   2.65212
   R67        2.63905   0.00004  -0.00011   0.00042   0.00032   2.63936
   R68        2.06513  -0.00027   0.00028  -0.00040  -0.00012   2.06502
   R69        2.64386  -0.00009   0.00003  -0.00019  -0.00015   2.64371
   R70        2.05772  -0.00002  -0.00004   0.00009   0.00005   2.05777
   R71        2.64218   0.00006  -0.00002   0.00029   0.00027   2.64245
   R72        2.05526  -0.00002  -0.00005   0.00004  -0.00001   2.05525
   R73        2.64160  -0.00015   0.00001  -0.00011  -0.00011   2.64149
   R74        2.05706   0.00001  -0.00004  -0.00001  -0.00005   2.05702
   R75        2.05381   0.00002  -0.00009   0.00012   0.00004   2.05384
   R76        2.60435   0.00106  -0.00002   0.00040   0.00038   2.60473
   R77        1.92886   0.00016   0.00022   0.00095   0.00117   1.93003
   R78        2.29342   0.00065  -0.00010   0.00051   0.00042   2.29384
   R79        2.65289  -0.00021   0.00031  -0.00048  -0.00017   2.65272
   R80        2.75239   0.00033  -0.00035   0.00227   0.00192   2.75431
   R81        2.79624  -0.00051  -0.00037  -0.00009  -0.00046   2.79578
   R82        2.10071  -0.00023   0.00010  -0.00096  -0.00086   2.09985
   R83        2.09883  -0.00003  -0.00028  -0.00008  -0.00037   2.09846
   R84        2.58949  -0.00026   0.00010   0.00056   0.00065   2.59014
   R85        3.28880  -0.00003  -0.00033  -0.00074  -0.00107   3.28773
   R86        2.66445  -0.00014  -0.00020  -0.00062  -0.00082   2.66363
   R87        2.05339   0.00002  -0.00001   0.00007   0.00006   2.05345
   R88        2.48046   0.00000   0.00029   0.00105   0.00133   2.48180
   R89        3.34525  -0.00016  -0.00065  -0.00198  -0.00263   3.34262
   R90        2.04768  -0.00005  -0.00001   0.00037   0.00036   2.04804
   R91        2.89077  -0.00030   0.00001  -0.00218  -0.00217   2.88860
   R92        2.89188   0.00033   0.00029  -0.00066  -0.00037   2.89150
   R93        2.12004   0.00038  -0.00008   0.00085   0.00077   2.12081
   R94        2.07082   0.00052   0.00012  -0.00020  -0.00008   2.07074
   R95        2.08010   0.00078   0.00095   0.00174   0.00269   2.08279
   R96        2.07535   0.00025   0.00012   0.00108   0.00121   2.07656
   R97        2.07220   0.00026  -0.00005   0.00070   0.00066   2.07285
   R98        2.08094  -0.00010   0.00029  -0.00080  -0.00051   2.08043
   R99        2.06960   0.00004   0.00013  -0.00044  -0.00031   2.06929
   R100       3.27875   0.00006   0.00006  -0.00139  -0.00133   3.27742
   R101       2.04121  -0.00003  -0.00008  -0.00026  -0.00034   2.04087
    A1        1.93449  -0.00002   0.00011   0.00011   0.00022   1.93471
    A2        1.94453   0.00001  -0.00021  -0.00009  -0.00030   1.94422
    A3        1.96120   0.00003  -0.00028   0.00036   0.00008   1.96129
    A4        1.87337   0.00002   0.00000   0.00113   0.00113   1.87450
    A5        1.86943  -0.00001   0.00057  -0.00071  -0.00014   1.86930
    A6        1.87664  -0.00005  -0.00015  -0.00082  -0.00097   1.87567
    A7        1.95106   0.00001   0.00028  -0.00022   0.00006   1.95112
    A8        1.92465  -0.00003  -0.00150   0.00069  -0.00081   1.92384
    A9        1.88804   0.00006   0.00005   0.00006   0.00011   1.88815
   A10        1.92804   0.00003   0.00115   0.00023   0.00138   1.92941
   A11        1.88974  -0.00004  -0.00014  -0.00016  -0.00030   1.88944
   A12        1.88012  -0.00003   0.00017  -0.00064  -0.00047   1.87965
   A13        1.96072   0.00010   0.00035   0.00020   0.00055   1.96127
   A14        1.94693  -0.00007   0.00029  -0.00039  -0.00009   1.94683
   A15        1.93428   0.00000  -0.00018   0.00051   0.00033   1.93461
   A16        1.87582  -0.00003  -0.00006   0.00009   0.00003   1.87585
   A17        1.86965  -0.00006  -0.00023  -0.00146  -0.00169   1.86796
   A18        1.87213   0.00004  -0.00022   0.00104   0.00082   1.87295
   A19        2.20848   0.00002   0.00030  -0.00121  -0.00091   2.20757
   A20        2.11803  -0.00004  -0.00033   0.00108   0.00074   2.11877
   A21        1.95667   0.00002   0.00004   0.00014   0.00018   1.95685
   A22        1.96013   0.00003   0.00009  -0.00040  -0.00031   1.95982
   A23        2.04373  -0.00039  -0.00041   0.00034  -0.00007   2.04366
   A24        2.01218  -0.00010  -0.00014  -0.00017  -0.00031   2.01187
   A25        2.22720   0.00049   0.00055  -0.00015   0.00040   2.22760
   A26        1.98798   0.00044   0.00032   0.00179   0.00211   1.99009
   A27        1.91537   0.00009   0.00071   0.00010   0.00080   1.91617
   A28        1.92152  -0.00042  -0.00093  -0.00025  -0.00118   1.92035
   A29        1.91584  -0.00016   0.00012  -0.00016  -0.00004   1.91580
   A30        1.87560   0.00003  -0.00033  -0.00019  -0.00053   1.87507
   A31        1.84150  -0.00001   0.00006  -0.00156  -0.00149   1.84001
   A32        1.99598  -0.00031   0.00019  -0.00028  -0.00005   1.99593
   A33        2.12770   0.00028   0.00130  -0.00369  -0.00235   2.12535
   A34        2.01866   0.00004   0.00121  -0.00284  -0.00159   2.01707
   A35        1.89898  -0.00006  -0.00060  -0.00057  -0.00117   1.89782
   A36        1.92232   0.00008   0.00101  -0.00046   0.00055   1.92287
   A37        1.96291   0.00008  -0.00055   0.00217   0.00162   1.96453
   A38        1.88458   0.00003  -0.00024   0.00052   0.00028   1.88485
   A39        1.90188  -0.00002   0.00010   0.00053   0.00063   1.90251
   A40        1.89153  -0.00011   0.00028  -0.00222  -0.00195   1.88958
   A41        2.11949  -0.00014   0.00044  -0.00169  -0.00128   2.11821
   A42        2.05486   0.00032   0.00006  -0.00067  -0.00063   2.05422
   A43        2.10866  -0.00018  -0.00062   0.00251   0.00186   2.11052
   A44        2.02754  -0.00010   0.00010   0.00078   0.00089   2.02843
   A45        2.06049   0.00010   0.00073   0.00185   0.00259   2.06308
   A46        1.96615   0.00012   0.00029   0.00183   0.00213   1.96828
   A47        1.89417  -0.00003  -0.00014  -0.00038  -0.00052   1.89365
   A48        1.90897   0.00144   0.00083  -0.00169  -0.00085   1.90811
   A49        1.88868  -0.00032  -0.00032  -0.00026  -0.00058   1.88810
   A50        1.94375  -0.00177  -0.00125   0.00495   0.00369   1.94744
   A51        1.93370   0.00091   0.00106  -0.00381  -0.00275   1.93095
   A52        1.89371  -0.00018  -0.00016   0.00105   0.00090   1.89461
   A53        2.13117   0.00016   0.00031   0.00207   0.00237   2.13354
   A54        2.02983   0.00006  -0.00033  -0.00093  -0.00127   2.02857
   A55        2.12100  -0.00015   0.00009  -0.00098  -0.00088   2.12012
   A56        2.11060  -0.00092   0.00027  -0.00291  -0.00264   2.10796
   A57        2.12086   0.00029  -0.00053   0.00214   0.00161   2.12247
   A58        2.03382   0.00037  -0.00022   0.00167   0.00146   2.03528
   A59        1.90720   0.00079  -0.00015   0.00406   0.00392   1.91112
   A60        1.93413  -0.00279   0.00039  -0.00483  -0.00444   1.92969
   A61        1.87568   0.00093  -0.00038   0.00147   0.00108   1.87676
   A62        1.95538   0.00197   0.00037   0.00092   0.00130   1.95667
   A63        1.88667  -0.00067   0.00007   0.00001   0.00007   1.88674
   A64        1.90246  -0.00020  -0.00034  -0.00152  -0.00186   1.90060
   A65        1.99580  -0.00041   0.00043  -0.00227  -0.00184   1.99397
   A66        1.89134   0.00020   0.00003   0.00101   0.00104   1.89238
   A67        1.90093   0.00003  -0.00017  -0.00008  -0.00025   1.90069
   A68        1.91644   0.00012   0.00021   0.00035   0.00056   1.91700
   A69        1.92517   0.00015  -0.00056   0.00156   0.00100   1.92618
   A70        1.82618  -0.00005   0.00003  -0.00043  -0.00039   1.82579
   A71        2.09430   0.00010  -0.00006   0.00065   0.00059   2.09489
   A72        2.10351  -0.00012   0.00004  -0.00056  -0.00052   2.10299
   A73        2.08533   0.00002   0.00002  -0.00007  -0.00006   2.08528
   A74        2.09688   0.00000  -0.00001   0.00007   0.00005   2.09693
   A75        2.09681  -0.00002   0.00016  -0.00063  -0.00047   2.09634
   A76        2.08945   0.00002  -0.00015   0.00056   0.00041   2.08986
   A77        2.09879  -0.00003  -0.00002   0.00005   0.00003   2.09882
   A78        2.09037   0.00001   0.00000   0.00014   0.00013   2.09051
   A79        2.09401   0.00002   0.00002  -0.00019  -0.00016   2.09385
   A80        2.08971   0.00000   0.00001  -0.00002  -0.00001   2.08970
   A81        2.09689  -0.00003   0.00002  -0.00024  -0.00022   2.09667
   A82        2.09658   0.00002  -0.00003   0.00026   0.00023   2.09681
   A83        2.09922  -0.00001   0.00001  -0.00005  -0.00005   2.09917
   A84        2.09290  -0.00001  -0.00001   0.00021   0.00020   2.09310
   A85        2.09107   0.00002   0.00000  -0.00016  -0.00015   2.09091
   A86        2.09639   0.00001   0.00000   0.00003   0.00004   2.09643
   A87        2.09736  -0.00001  -0.00003   0.00017   0.00014   2.09749
   A88        2.08941  -0.00001   0.00003  -0.00020  -0.00017   2.08924
   A89        1.95593  -0.00238  -0.00010  -0.00454  -0.00465   1.95129
   A90        1.92294   0.00022   0.00005   0.00125   0.00130   1.92424
   A91        1.90982   0.00114   0.00000  -0.00003  -0.00004   1.90979
   A92        1.88902   0.00120  -0.00045   0.00383   0.00338   1.89240
   A93        1.94113   0.00036   0.00063  -0.00038   0.00025   1.94138
   A94        1.84151  -0.00040  -0.00013   0.00024   0.00011   1.84161
   A95        1.83095   0.00123  -0.00080   0.00326   0.00246   1.83342
   A96        1.96664  -0.00138   0.00023  -0.00533  -0.00509   1.96155
   A97        1.95930   0.00005   0.00049  -0.00211  -0.00161   1.95769
   A98        1.85008   0.00018   0.00014   0.00224   0.00239   1.85247
   A99        1.91131  -0.00075  -0.00036  -0.00103  -0.00140   1.90991
   A100       1.93846   0.00069   0.00019   0.00328   0.00346   1.94192
   A101       1.92053   0.00006  -0.00043   0.00134   0.00091   1.92144
   A102       1.93560  -0.00038  -0.00013  -0.00045  -0.00059   1.93500
   A103       1.89067   0.00119  -0.00101   0.00999   0.00899   1.89966
   A104       1.90343  -0.00051   0.00005  -0.00317  -0.00311   1.90032
   A105       1.96636  -0.00032   0.00184  -0.00279  -0.00097   1.96539
   A106       1.91501   0.00035  -0.00019  -0.00015  -0.00035   1.91466
   A107       1.85002  -0.00033  -0.00065  -0.00354  -0.00417   1.84585
   A108       1.95613  -0.00020   0.00059  -0.00159  -0.00099   1.95514
   A109       1.91660   0.00027   0.00044   0.00034   0.00078   1.91738
   A110       1.90918   0.00024   0.00036   0.00057   0.00093   1.91012
   A111       1.92713  -0.00007  -0.00104   0.00081  -0.00023   1.92691
   A112       1.91808  -0.00003  -0.00028  -0.00039  -0.00067   1.91741
   A113       1.83267  -0.00022  -0.00011   0.00039   0.00027   1.83294
   A114       2.09460  -0.00004  -0.00043   0.00107   0.00064   2.09525
   A115       2.09908   0.00010   0.00035  -0.00085  -0.00051   2.09857
   A116       2.08949  -0.00006   0.00008  -0.00022  -0.00014   2.08936
   A117       2.09475   0.00006  -0.00002   0.00017   0.00015   2.09490
   A118       2.08836   0.00006  -0.00038   0.00055   0.00017   2.08853
   A119       2.10007  -0.00011   0.00039  -0.00072  -0.00033   2.09974
   A120       2.09857  -0.00003  -0.00003   0.00004   0.00000   2.09858
   A121       2.09100   0.00003   0.00003  -0.00022  -0.00019   2.09082
   A122       2.09361   0.00000   0.00000   0.00018   0.00019   2.09379
   A123       2.09087   0.00002   0.00003  -0.00004   0.00000   2.09087
   A124       2.09607  -0.00003  -0.00002   0.00007   0.00005   2.09612
   A125       2.09625   0.00001  -0.00001  -0.00003  -0.00005   2.09620
   A126       2.09874   0.00000   0.00002  -0.00008  -0.00007   2.09867
   A127       2.09321   0.00001  -0.00002   0.00009   0.00007   2.09327
   A128       2.09124   0.00000   0.00000   0.00000   0.00000   2.09124
   A129       2.09394   0.00003  -0.00008   0.00013   0.00005   2.09400
   A130       2.09917  -0.00006   0.00004   0.00012   0.00016   2.09933
   A131       2.09007   0.00003   0.00004  -0.00025  -0.00021   2.08986
   A132       2.16085   0.00043   0.00192  -0.00140  -0.00034   2.16050
   A133       2.03191  -0.00007  -0.00110  -0.00224  -0.00420   2.02771
   A134       2.08304  -0.00032  -0.00068  -0.00141  -0.00297   2.08007
   A135       2.27770  -0.00011   0.00156  -0.00168  -0.00013   2.27757
   A136       1.86975   0.00065  -0.00087   0.00283   0.00195   1.87170
   A137       2.13550  -0.00056  -0.00068  -0.00131  -0.00200   2.13350
   A138       2.02267   0.00000  -0.00027  -0.00114  -0.00141   2.02126
   A139       1.89411   0.00145  -0.00032   0.00114   0.00082   1.89493
   A140       1.77394  -0.00040   0.00038  -0.00182  -0.00144   1.77250
   A141       1.91146  -0.00058  -0.00010  -0.00087  -0.00097   1.91049
   A142       1.96324  -0.00044  -0.00021   0.00012  -0.00009   1.96315
   A143       1.98625  -0.00025   0.00060   0.00051   0.00111   1.98736
   A144       1.92225   0.00023  -0.00039   0.00065   0.00025   1.92250
   A145       2.25015   0.00013  -0.00058  -0.00194  -0.00252   2.24763
   A146       2.12250  -0.00018   0.00057   0.00233   0.00290   2.12539
   A147       1.91044   0.00006   0.00002  -0.00039  -0.00037   1.91007
   A148       2.01359   0.00000  -0.00006   0.00027   0.00021   2.01380
   A149       2.20904   0.00004  -0.00003   0.00030   0.00026   2.20930
   A150       2.06056  -0.00004   0.00008  -0.00056  -0.00048   2.06008
   A151       1.95518   0.00001  -0.00013  -0.00066  -0.00079   1.95439
   A152       1.96902  -0.00001   0.00010   0.00033   0.00043   1.96944
   A153       2.19279  -0.00004  -0.00039  -0.00155  -0.00193   2.19085
   A154       2.12135   0.00005   0.00030   0.00123   0.00152   2.12287
   A155       1.57641  -0.00005   0.00009   0.00045   0.00054   1.57695
   A156       1.97092   0.00002  -0.00044  -0.00024  -0.00068   1.97024
   A157       1.91319   0.00005  -0.00044   0.00353   0.00308   1.91627
   A158       1.85842   0.00003   0.00049  -0.00054  -0.00006   1.85836
   A159       1.93866  -0.00049  -0.00083  -0.00124  -0.00207   1.93659
   A160       1.88681   0.00045   0.00049  -0.00107  -0.00057   1.88623
   A161       1.89239  -0.00004   0.00088  -0.00052   0.00037   1.89276
   A162       1.95898   0.00036  -0.00114   0.00085  -0.00031   1.95867
   A163       1.96630  -0.00107  -0.00016  -0.00139  -0.00156   1.96474
   A164       1.94308  -0.00008   0.00041  -0.00432  -0.00392   1.93916
   A165       1.85243   0.00040  -0.00112   0.00283   0.00169   1.85412
   A166       1.87631  -0.00037   0.00164  -0.00735  -0.00572   1.87059
   A167       1.86044   0.00082   0.00050   0.00984   0.01034   1.87078
   A168       1.93271   0.00014   0.00006   0.00080   0.00085   1.93356
   A169       1.96292   0.00010  -0.00047   0.00158   0.00112   1.96403
   A170       1.95732  -0.00012   0.00031  -0.00184  -0.00153   1.95579
   A171       1.86391  -0.00022   0.00048  -0.00526  -0.00479   1.85913
   A172       1.86503  -0.00001  -0.00012   0.00204   0.00192   1.86694
   A173       1.87658   0.00011  -0.00023   0.00259   0.00235   1.87894
   A174       1.91528   0.00007   0.00010  -0.00005   0.00005   1.91533
   A175       2.23908   0.00014   0.00043  -0.00180  -0.00137   2.23771
   A176       2.12878  -0.00021  -0.00054   0.00188   0.00134   2.13012
   A177       1.58050  -0.00002  -0.00009   0.00048   0.00040   1.58090
    D1        1.06968  -0.00001   0.00317  -0.02008  -0.01691   1.05277
    D2       -3.06139   0.00001   0.00376  -0.01944  -0.01569  -3.07708
    D3       -1.00939   0.00000   0.00314  -0.01979  -0.01665  -1.02603
    D4       -3.12863   0.00002   0.00310  -0.01864  -0.01554   3.13902
    D5       -0.97651   0.00004   0.00369  -0.01800  -0.01432  -0.99083
    D6        1.07549   0.00003   0.00307  -0.01835  -0.01527   1.06022
    D7       -1.02133  -0.00001   0.00256  -0.01950  -0.01694  -1.03827
    D8        1.13078   0.00001   0.00314  -0.01887  -0.01572   1.11506
    D9       -3.10040   0.00000   0.00253  -0.01921  -0.01668  -3.11708
   D10        0.96929   0.00001  -0.00343   0.00762   0.00419   0.97348
   D11        3.07689   0.00000  -0.00305   0.00759   0.00455   3.08144
   D12       -1.12153   0.00002  -0.00324   0.00899   0.00574  -1.11579
   D13       -1.18091   0.00002  -0.00252   0.00672   0.00421  -1.17670
   D14        0.92670   0.00001  -0.00213   0.00670   0.00456   0.93126
   D15        3.01146   0.00003  -0.00233   0.00809   0.00576   3.01722
   D16        3.04735   0.00006  -0.00328   0.00745   0.00417   3.05152
   D17       -1.12823   0.00005  -0.00290   0.00743   0.00453  -1.12370
   D18        0.95653   0.00007  -0.00310   0.00883   0.00572   0.96225
   D19        2.01801  -0.00002  -0.02936   0.01425  -0.01510   2.00291
   D20       -1.12667   0.00006  -0.02721   0.01541  -0.01180  -1.13847
   D21       -2.09971  -0.00001  -0.02925   0.01461  -0.01464  -2.11435
   D22        1.03879   0.00007  -0.02711   0.01577  -0.01134   1.02745
   D23       -0.03888  -0.00006  -0.02868   0.01417  -0.01451  -0.05339
   D24        3.09963   0.00002  -0.02654   0.01533  -0.01121   3.08842
   D25       -3.13966   0.00000   0.00144   0.00041   0.00185  -3.13781
   D26        0.00478  -0.00007  -0.00054  -0.00066  -0.00119   0.00359
   D27        3.13836   0.00001  -0.00112  -0.00039  -0.00152   3.13684
   D28       -0.00591   0.00008   0.00074   0.00061   0.00135  -0.00456
   D29        3.12933   0.00002   0.00018   0.00161   0.00179   3.13112
   D30       -0.00069   0.00001  -0.00003   0.00038   0.00035  -0.00034
   D31        2.14208  -0.00005  -0.00502   0.00101  -0.00401   2.13807
   D32       -1.98539   0.00012  -0.00408   0.00218  -0.00190  -1.98729
   D33        0.03414  -0.00009  -0.00413   0.00021  -0.00392   0.03023
   D34       -1.01273  -0.00005  -0.00478   0.00242  -0.00236  -1.01509
   D35        1.14298   0.00012  -0.00384   0.00359  -0.00025   1.14273
   D36       -3.12067  -0.00009  -0.00390   0.00162  -0.00227  -3.12294
   D37       -0.00380   0.00005   0.00059   0.00009   0.00068  -0.00312
   D38       -3.13472  -0.00005   0.00106  -0.00391  -0.00285  -3.13757
   D39       -3.13238   0.00005   0.00036  -0.00130  -0.00094  -3.13332
   D40        0.01989  -0.00005   0.00083  -0.00531  -0.00447   0.01542
   D41       -1.22673   0.00008  -0.00073  -0.00360  -0.00433  -1.23106
   D42        1.34489   0.00011   0.00487  -0.01691  -0.01204   1.33285
   D43        2.90099  -0.00023  -0.00199  -0.00490  -0.00689   2.89410
   D44       -0.81057  -0.00019   0.00361  -0.01821  -0.01460  -0.82518
   D45        0.90668  -0.00015  -0.00195  -0.00288  -0.00483   0.90185
   D46       -2.80488  -0.00011   0.00365  -0.01620  -0.01255  -2.81742
   D47       -1.20083   0.00012  -0.01257   0.01531   0.00275  -1.19808
   D48        3.01980   0.00008  -0.01251   0.01530   0.00279   3.02259
   D49        0.90795   0.00011  -0.01320   0.01699   0.00379   0.91174
   D50        2.47384   0.00000  -0.01785   0.02812   0.01027   2.48411
   D51        0.41129  -0.00005  -0.01779   0.02810   0.01031   0.42160
   D52       -1.70057  -0.00001  -0.01848   0.02980   0.01131  -1.68926
   D53       -2.90582   0.00020  -0.00666   0.02594   0.01930  -2.88651
   D54        0.25567   0.00014   0.00461   0.01752   0.02214   0.27781
   D55       -0.34103   0.00014  -0.00127   0.01324   0.01196  -0.32907
   D56        2.82046   0.00008   0.01000   0.00482   0.01480   2.83525
   D57        2.81356  -0.00001  -0.00552   0.00241  -0.00313   2.81044
   D58        0.39744  -0.00022  -0.00725  -0.00436  -0.01161   0.38583
   D59       -0.30827  -0.00007   0.00564  -0.00591  -0.00026  -0.30853
   D60       -2.72439  -0.00028   0.00391  -0.01267  -0.00875  -2.73314
   D61       -1.70035  -0.00086  -0.00433   0.00318  -0.00115  -1.70150
   D62        2.45907   0.00045  -0.00322  -0.00161  -0.00482   2.45424
   D63        0.39915   0.00003  -0.00331  -0.00178  -0.00509   0.39407
   D64        0.75394  -0.00066  -0.00252   0.00962   0.00710   0.76104
   D65       -1.36983   0.00064  -0.00141   0.00483   0.00343  -1.36640
   D66        2.85345   0.00023  -0.00150   0.00467   0.00316   2.85661
   D67       -0.62822  -0.00002  -0.00816   0.01880   0.01064  -0.61758
   D68        2.46182   0.00154  -0.00642   0.02215   0.01573   2.47755
   D69        1.47411   0.00066  -0.00798   0.01952   0.01153   1.48564
   D70       -1.71904   0.00221  -0.00625   0.02287   0.01662  -1.70242
   D71       -2.69952  -0.00014  -0.00831   0.02160   0.01328  -2.68624
   D72        0.39052   0.00141  -0.00658   0.02495   0.01837   0.40888
   D73        1.25773   0.00062   0.00059   0.00248   0.00307   1.26080
   D74       -2.85389   0.00003  -0.00115   0.00336   0.00221  -2.85168
   D75       -0.81031   0.00003  -0.00007   0.00427   0.00420  -0.80611
   D76       -0.83587   0.00083   0.00101   0.00093   0.00195  -0.83392
   D77        1.33569   0.00024  -0.00073   0.00182   0.00109   1.33678
   D78       -2.90390   0.00024   0.00035   0.00272   0.00307  -2.90083
   D79       -2.96869   0.00095   0.00060   0.00182   0.00241  -2.96628
   D80       -0.79713   0.00036  -0.00115   0.00270   0.00155  -0.79558
   D81        1.24646   0.00036  -0.00007   0.00361   0.00354   1.24999
   D82        3.11550  -0.00184  -0.00226   0.00671   0.00445   3.11995
   D83        0.18316  -0.00039   0.00045   0.00128   0.00174   0.18490
   D84       -0.07733  -0.00028  -0.00053   0.01013   0.00960  -0.06773
   D85       -3.00966   0.00116   0.00218   0.00471   0.00689  -3.00278
   D86        2.42870   0.00124   0.02215  -0.03394  -0.01178   2.41692
   D87       -1.69151   0.00239   0.02279  -0.03323  -0.01044  -1.70195
   D88        0.38548   0.00111   0.02237  -0.03693  -0.01457   0.37092
   D89       -0.91214  -0.00013   0.01952  -0.02868  -0.00915  -0.92129
   D90        1.25083   0.00101   0.02016  -0.02797  -0.00781   1.24302
   D91       -2.95536  -0.00027   0.01974  -0.03167  -0.01193  -2.96729
   D92        1.08258  -0.00092  -0.00265  -0.00166  -0.00430   1.07828
   D93       -1.06115  -0.00094  -0.00323  -0.00131  -0.00455  -1.06570
   D94       -3.03816  -0.00100  -0.00320  -0.00130  -0.00450  -3.04266
   D95       -1.06783   0.00075  -0.00330   0.00098  -0.00232  -1.07014
   D96        3.07163   0.00072  -0.00389   0.00133  -0.00256   3.06907
   D97        1.09462   0.00067  -0.00385   0.00134  -0.00251   1.09211
   D98        3.11885   0.00024  -0.00315   0.00230  -0.00085   3.11800
   D99        0.97511   0.00022  -0.00374   0.00264  -0.00109   0.97402
   D100      -1.00190   0.00016  -0.00370   0.00266  -0.00104  -1.00294
   D101       1.15501   0.00008  -0.00378   0.00404   0.00025   1.15527
   D102      -0.94939   0.00000  -0.00318   0.00135  -0.00183  -0.95122
   D103      -2.96653  -0.00030  -0.00305   0.00036  -0.00268  -2.96921
   D104      -2.99303   0.00047  -0.00343   0.00645   0.00302  -2.99001
   D105       1.18575   0.00039  -0.00282   0.00376   0.00094   1.18669
   D106      -0.83139   0.00010  -0.00269   0.00278   0.00009  -0.83130
   D107      -0.90575   0.00072  -0.00334   0.00603   0.00269  -0.90306
   D108      -3.01015   0.00064  -0.00273   0.00334   0.00061  -3.00955
   D109       1.25589   0.00035  -0.00260   0.00236  -0.00024   1.25565
   D110      -1.60731  -0.00001  -0.00669   0.01881   0.01212  -1.59519
   D111       1.54361  -0.00004  -0.00651   0.01682   0.01030   1.55392
   D112       0.52275   0.00005  -0.00618   0.01879   0.01260   0.53536
   D113      -2.60951   0.00002  -0.00601   0.01680   0.01078  -2.59872
   D114       2.52647   0.00015  -0.00634   0.01936   0.01302   2.53949
   D115      -0.60579   0.00011  -0.00617   0.01737   0.01120  -0.59459
   D116       3.14155  -0.00001   0.00019  -0.00203  -0.00184   3.13971
   D117      -0.01026  -0.00003   0.00019  -0.00266  -0.00246  -0.01272
   D118      -0.00928   0.00002   0.00002  -0.00006  -0.00004  -0.00932
   D119       3.12210   0.00000   0.00002  -0.00069  -0.00067   3.12143
   D120      -3.14130   0.00002  -0.00010   0.00162   0.00153  -3.13977
   D121       0.00747  -0.00001  -0.00029   0.00162   0.00133   0.00879
   D122       0.00958  -0.00002   0.00008  -0.00036  -0.00029   0.00929
   D123      -3.12484  -0.00004  -0.00012  -0.00036  -0.00049  -3.12533
   D124       0.00223  -0.00001  -0.00007   0.00024   0.00017   0.00240
   D125       3.14055  -0.00001  -0.00002   0.00024   0.00022   3.14077
   D126      -3.12919   0.00001  -0.00007   0.00087   0.00080  -3.12839
   D127       0.00913   0.00001  -0.00002   0.00087   0.00085   0.00998
   D128       0.00457   0.00000   0.00001   0.00001   0.00002   0.00459
   D129      -3.14153   0.00001   0.00008   0.00015   0.00023  -3.14130
   D130      -3.13374   0.00000  -0.00004   0.00001  -0.00003  -3.13377
   D131       0.00335   0.00001   0.00003   0.00015   0.00018   0.00352
   D132      -0.00427   0.00000   0.00009  -0.00044  -0.00035  -0.00462
   D133       3.13526   0.00001   0.00019  -0.00064  -0.00045   3.13481
   D134      -3.14136  -0.00001   0.00002  -0.00057  -0.00055   3.14127
   D135      -0.00183   0.00000   0.00012  -0.00078  -0.00066  -0.00249
   D136      -0.00283   0.00001  -0.00013   0.00061   0.00048  -0.00235
   D137       3.13162   0.00003   0.00007   0.00062   0.00068   3.13230
   D138       3.14082   0.00000  -0.00023   0.00082   0.00059   3.14140
   D139      -0.00792   0.00002  -0.00003   0.00082   0.00079  -0.00713
   D140      -1.70663   0.00062  -0.01587   0.03529   0.01942  -1.68721
   D141       2.57185   0.00035  -0.01568   0.03332   0.01764   2.58949
   D142       0.36754   0.00050  -0.01654   0.03494   0.01840   0.38593
   D143       0.41733   0.00018  -0.01618   0.03656   0.02038   0.43771
   D144      -1.58737  -0.00008  -0.01599   0.03459   0.01859  -1.56878
   D145       2.49150   0.00007  -0.01685   0.03621   0.01935   2.51085
   D146       2.43253   0.00060  -0.01626   0.03889   0.02264   2.45517
   D147       0.42783   0.00034  -0.01607   0.03692   0.02085   0.44868
   D148      -1.77648   0.00048  -0.01693   0.03854   0.02161  -1.75487
   D149       2.39589   0.00001   0.01239  -0.02913  -0.01674   2.37916
   D150      -1.80276  -0.00089   0.01234  -0.03259  -0.02024  -1.82300
   D151       0.28969  -0.00036   0.01246  -0.02796  -0.01551   0.27418
   D152      -1.20476   0.00067  -0.00180  -0.02865  -0.03044  -1.23520
   D153       2.91202   0.00051  -0.00334  -0.03169  -0.03504   2.87698
   D154       0.90600   0.00053  -0.00208  -0.03118  -0.03326   0.87274
   D155       3.08531  -0.00021  -0.00104  -0.03119  -0.03222   3.05309
   D156       0.91890  -0.00038  -0.00258  -0.03423  -0.03681   0.88209
   D157      -1.08711  -0.00035  -0.00132  -0.03372  -0.03504  -1.12215
   D158       1.01069   0.00020  -0.00079  -0.03306  -0.03385   0.97684
   D159      -1.15571   0.00004  -0.00233  -0.03610  -0.03845  -1.19416
   D160       3.12146   0.00006  -0.00108  -0.03559  -0.03668   3.08478
   D161       3.00676  -0.00066   0.00341  -0.03275  -0.02933   2.97743
   D162      -1.12772  -0.00069   0.00280  -0.03256  -0.02975  -1.15748
   D163       0.87488  -0.00066   0.00311  -0.03159  -0.02847   0.84641
   D164      -1.15381   0.00038   0.00333  -0.02213  -0.01881  -1.17262
   D165       0.99489   0.00036   0.00272  -0.02195  -0.01923   0.97566
   D166       2.99749   0.00038   0.00303  -0.02097  -0.01795   2.97955
   D167       0.90285  -0.00001   0.00356  -0.02841  -0.02485   0.87800
   D168       3.05155  -0.00003   0.00295  -0.02822  -0.02527   3.02628
   D169      -1.22902   0.00000   0.00326  -0.02725  -0.02399  -1.25301
   D170       1.43291   0.00035   0.02217  -0.02675  -0.00452   1.42839
   D171      -1.57713   0.00004   0.03252   0.01810   0.05057  -1.52655
   D172      -0.71499   0.00019   0.02182  -0.03144  -0.00958  -0.72456
   D173       2.55816  -0.00012   0.03216   0.01341   0.04552   2.60368
   D174      -2.80956   0.00016   0.02142  -0.02737  -0.00591  -2.81548
   D175       0.46359  -0.00014   0.03176   0.01748   0.04918   0.51277
   D176       1.79526   0.00000   0.00134   0.00389   0.00523   1.80048
   D177      -1.35209   0.00001   0.00095   0.00454   0.00549  -1.34660
   D178      -0.34749  -0.00017   0.00111   0.00398   0.00509  -0.34240
   D179       2.78835  -0.00015   0.00072   0.00463   0.00535   2.79370
   D180      -2.36113   0.00015   0.00201   0.00327   0.00528  -2.35586
   D181       0.77471   0.00016   0.00162   0.00392   0.00554   0.78024
   D182       3.13519   0.00000  -0.00033  -0.00098  -0.00131   3.13387
   D183      -0.01026   0.00002  -0.00036  -0.00233  -0.00268  -0.01294
   D184      -0.00069  -0.00002   0.00005  -0.00162  -0.00157  -0.00226
   D185       3.13706   0.00001   0.00003  -0.00297  -0.00294   3.13412
   D186      -3.13565   0.00000   0.00030   0.00075   0.00105  -3.13460
   D187       0.00421  -0.00001   0.00032   0.00049   0.00082   0.00503
   D188       0.00020   0.00001  -0.00009   0.00140   0.00132   0.00152
   D189       3.14007   0.00000  -0.00006   0.00114   0.00108   3.14115
   D190       0.00058   0.00001  -0.00001   0.00072   0.00071   0.00129
   D191      -3.14149   0.00003   0.00003   0.00061   0.00064  -3.14085
   D192      -3.13714  -0.00002   0.00002   0.00207   0.00209  -3.13505
   D193       0.00397   0.00000   0.00006   0.00196   0.00202   0.00600
   D194       0.00001   0.00000   0.00000   0.00041   0.00041   0.00042
   D195       3.14157   0.00001   0.00004   0.00001   0.00006  -3.14156
   D196      -3.14110  -0.00002  -0.00004   0.00052   0.00048  -3.14062
   D197       0.00046   0.00000   0.00000   0.00012   0.00013   0.00058
   D198      -0.00050  -0.00001  -0.00003  -0.00063  -0.00066  -0.00116
   D199      -3.14127   0.00000   0.00002  -0.00060  -0.00059   3.14132
   D200       3.14113  -0.00002  -0.00008  -0.00023  -0.00031   3.14082
   D201       0.00035  -0.00001  -0.00003  -0.00021  -0.00024   0.00012
   D202       0.00039   0.00000   0.00008  -0.00028  -0.00020   0.00019
   D203      -3.13948   0.00001   0.00005  -0.00002   0.00003  -3.13945
   D204       3.14117  -0.00001   0.00003  -0.00030  -0.00028   3.14089
   D205       0.00129   0.00000   0.00000  -0.00005  -0.00004   0.00125
   D206       0.10556   0.00012   0.00699   0.02661   0.03361   0.13917
   D207      -3.05988  -0.00110   0.00720   0.01897   0.02617  -3.03371
   D208       3.11197   0.00046  -0.00358  -0.01954  -0.02312   3.08885
   D209      -0.05348  -0.00077  -0.00337  -0.02718  -0.03056  -0.08403
   D210       2.95015   0.00150   0.00618   0.02605   0.03223   2.98239
   D211      -0.21291   0.00040   0.00642   0.01916   0.02557  -0.18734
   D212      -1.60378  -0.00021  -0.00420   0.00935   0.00514  -1.59864
   D213       2.60700  -0.00011  -0.00403   0.00964   0.00561   2.61262
   D214       0.57399   0.00007  -0.00373   0.01017   0.00644   0.58043
   D215      -0.73943  -0.00019  -0.02672  -0.02773  -0.05444  -0.79387
   D216       2.38481   0.00003  -0.02542  -0.02802  -0.05344   2.33137
   D217       1.20927  -0.00007  -0.02656  -0.02920  -0.05575   1.15351
   D218      -1.94968   0.00016  -0.02525  -0.02949  -0.05475  -2.00443
   D219      -2.87229  -0.00034  -0.02677  -0.02778  -0.05455  -2.92685
   D220       0.25194  -0.00011  -0.02547  -0.02808  -0.05354   0.19840
   D221       3.13209   0.00016   0.00032  -0.00035  -0.00003   3.13206
   D222      -0.00971   0.00011   0.00180  -0.00392  -0.00212  -0.01183
   D223       0.00617  -0.00004  -0.00086  -0.00011  -0.00097   0.00520
   D224      -3.13563  -0.00009   0.00062  -0.00368  -0.00306  -3.13869
   D225      -3.13893  -0.00008  -0.00001   0.00036   0.00035  -3.13858
   D226      -0.01166   0.00011   0.00106   0.00010   0.00116  -0.01050
   D227       0.00560  -0.00008   0.00005   0.00004   0.00008   0.00568
   D228      -3.13580  -0.00004  -0.00131   0.00329   0.00198  -3.13382
   D229      -0.01467   0.00017   0.00080   0.00004   0.00084  -0.01383
   D230       3.13579  -0.00013  -0.00109  -0.00093  -0.00201   3.13378
   D231       0.01553  -0.00016  -0.00109  -0.00008  -0.00117   0.01436
   D232      -3.13451   0.00012   0.00070   0.00083   0.00153  -3.13298
   D233      -0.66387  -0.00044  -0.04388  -0.08975  -0.13362  -0.79749
   D234       1.42605  -0.00042  -0.04630  -0.08647  -0.13276   1.29328
   D235      -2.76816  -0.00016  -0.04549  -0.07785  -0.12334  -2.89150
   D236      -2.82143  -0.00015  -0.04232  -0.09327  -0.13559  -2.95702
   D237      -0.73152  -0.00013  -0.04474  -0.08999  -0.13473  -0.86625
   D238       1.35746   0.00013  -0.04393  -0.08136  -0.12530   1.23216
   D239       1.38756  -0.00010  -0.04322  -0.09125  -0.13447   1.25309
   D240      -2.80571  -0.00007  -0.04564  -0.08797  -0.13361  -2.93932
   D241      -0.71673   0.00018  -0.04483  -0.07935  -0.12418  -0.84092
   D242       3.07148   0.00019   0.00155   0.02304   0.02459   3.09607
   D243      -1.12780   0.00007   0.00188   0.01795   0.01983  -1.10796
   D244       0.98988   0.00020   0.00147   0.02113   0.02260   1.01248
   D245      -1.02150  -0.00010   0.00006   0.02441   0.02447  -0.99702
   D246       1.06241  -0.00022   0.00040   0.01933   0.01972   1.08213
   D247      -3.10310  -0.00009  -0.00002   0.02251   0.02248  -3.08061
   D248       1.04934   0.00015   0.00072   0.02206   0.02278   1.07212
   D249       3.13324   0.00003   0.00106   0.01697   0.01803  -3.13191
   D250      -1.03226   0.00015   0.00064   0.02015   0.02079  -1.01147
   D251       0.00527  -0.00007  -0.00072  -0.00037  -0.00110   0.00417
   D252       3.13698   0.00002  -0.00115   0.00331   0.00216   3.13914
         Item               Value     Threshold  Converged?
 Maximum Force            0.002794     0.000450     NO 
 RMS     Force            0.000451     0.000300     NO 
 Maximum Displacement     0.243620     0.001800     NO 
 RMS     Displacement     0.048697     0.001200     NO 
 Predicted change in Energy=-2.305345D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.118236   -2.780075   -0.420420
      2          6           0       -9.083874   -1.294961   -0.794743
      3          6           0      -10.117190   -0.485712   -0.005603
      4          6           0       -7.709993   -0.739932   -0.584324
      5          7           0       -6.900913   -0.286692   -1.512763
      6          6           0       -5.666796    0.164866   -0.977542
      7          6           0       -4.651175    0.694945   -1.951211
      8          7           0       -4.218950    2.086213   -1.675103
      9          6           0       -5.257966    3.117165   -1.946231
     10          6           0       -3.309508    2.392980   -0.628221
     11          8           0       -3.157847    3.542115   -0.231666
     12          7           0       -2.553837    1.318603   -0.069818
     13          6           0       -1.332227    1.698407    0.685499
     14          6           0       -0.115134    1.554744   -0.248977
     15          8           0       -0.040136    0.669711   -1.093824
     16          7           0        0.872492    2.519958   -0.121850
     17          6           0        2.103675    2.463289   -0.954308
     18          6           0        2.463355    3.886317   -1.441496
     19          6           0        2.766419    4.859124   -0.336061
     20          6           0        1.739388    5.647710    0.207221
     21          6           0        2.017852    6.550898    1.236093
     22          6           0        3.320478    6.677505    1.729231
     23          6           0        4.346878    5.899607    1.184479
     24          6           0        4.074357    4.994303    0.155041
     25          6           0        3.258048    1.809726   -0.169695
     26          6           0        2.981086    0.332522    0.124513
     27          8           0        2.444837    0.311430    1.464612
     28          6           0        4.289060   -0.521358    0.166592
     29          6           0        4.886738   -0.676490   -1.239973
     30          6           0        6.257038   -1.295453   -1.205312
     31          6           0        6.427624   -2.644340   -1.551696
     32          6           0        7.701631   -3.216269   -1.528277
     33          6           0        8.811611   -2.449151   -1.158613
     34          6           0        8.642913   -1.105229   -0.811156
     35          6           0        7.370679   -0.526594   -0.833407
     36          7           0        3.988435   -1.829216    0.807474
     37          6           0        3.424679   -2.896993    0.142708
     38          8           0        3.191232   -3.056334   -1.037774
     39          8           0        3.163442   -3.891248    1.098609
     40          6           0        2.376065   -5.026568    0.634452
     41          6           0        0.946414   -4.744471    0.890045
     42          6           0        0.359907   -4.239588    2.021312
     43          7           0       -1.037883   -4.071153    1.953505
     44          6           0       -1.522389   -4.446326    0.791918
     45         16           0       -0.272402   -5.019552   -0.320614
     46          6           0       -1.199900    0.789400    1.941491
     47          6           0       -0.795499   -0.644114    1.597895
     48          6           0       -0.214315    1.413757    2.931471
     49          6           0       -5.542465    0.050863    0.378091
     50         16           0       -6.991000   -0.632134    1.043811
     51          1           0      -10.103017   -3.213335   -0.632418
     52          1           0       -8.377434   -3.354022   -0.991262
     53          1           0       -8.914879   -2.947014    0.644000
     54          1           0       -9.326392   -1.202952   -1.892360
     55          1           0       -9.998773   -0.601682    1.078431
     56          1           0      -10.048129    0.585640   -0.231891
     57          1           0      -11.136167   -0.806594   -0.253475
     58          1           0       -3.761246    0.020413   -1.974058
     59          1           0       -5.068976    0.673095   -2.992232
     60          1           0       -5.426928    3.172139   -3.034606
     61          1           0       -4.908623    4.110931   -1.603543
     62          1           0       -6.213821    2.895696   -1.445545
     63          1           0       -2.424001    0.469381   -0.636288
     64          1           0       -1.447730    2.769541    1.027333
     65          1           0        0.874692    3.182248    0.650754
     66          1           0        1.872752    1.830045   -1.860497
     67          1           0        1.621516    4.269283   -2.061582
     68          1           0        3.320301    3.820101   -2.143222
     69          1           0        0.723570    5.564720   -0.179229
     70          1           0        1.216501    7.160396    1.652732
     71          1           0        3.535016    7.381264    2.530657
     72          1           0        5.363570    6.000205    1.561752
     73          1           0        4.881116    4.400269   -0.267749
     74          1           0        3.414086    2.338212    0.798178
     75          1           0        4.203204    1.936170   -0.731876
     76          1           0        2.235324   -0.104355   -0.580447
     77          1           0        1.661026   -0.302307    1.510049
     78          1           0        5.032886   -0.014653    0.840817
     79          1           0        4.200987   -1.284219   -1.878698
     80          1           0        4.934075    0.317502   -1.733218
     81          1           0        5.559029   -3.244141   -1.834367
     82          1           0        7.829742   -4.263325   -1.798496
     83          1           0        9.802636   -2.896831   -1.141197
     84          1           0        9.504972   -0.506338   -0.522934
     85          1           0        7.249256    0.519236   -0.563720
     86          1           0        4.063626   -1.859968    1.825567
     87          1           0        2.768430   -5.846026    1.274210
     88          1           0        2.610576   -5.228183   -0.432072
     89          1           0        0.863112   -3.965807    2.944683
     90          1           0       -2.567484   -4.417273    0.506431
     91          1           0       -2.214100    0.759590    2.421113
     92          1           0       -1.372023   -1.047322    0.757780
     93          1           0        0.265561   -0.727246    1.311524
     94          1           0       -0.954691   -1.315871    2.452826
     95          1           0       -0.143571    0.809162    3.843974
     96          1           0        0.805626    1.484883    2.523214
     97          1           0       -0.520440    2.419595    3.237492
     98          1           0       -4.703290    0.330299    0.997816
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0634343      0.0292404      0.0217704
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3549.0676134434 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.247146874431     A.U. after   17 cycles
             Convg  =    0.8125D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000042866    0.000002824    0.000056774
      2        6          -0.000008066    0.000068760    0.000014835
      3        6          -0.000023346   -0.000011126    0.000120530
      4        6           0.000029879    0.000170664   -0.000318357
      5        7           0.000098118    0.000135435    0.000047519
      6        6           0.000130225   -0.000340849    0.000353620
      7        6          -0.000043113   -0.000060313   -0.000449721
      8        7          -0.000294601   -0.000935918    0.000368981
      9        6          -0.000545632    0.000366954   -0.000030133
     10        6           0.000199934    0.001245227   -0.000193093
     11        8           0.000102277   -0.000369134    0.000235205
     12        7          -0.000381564   -0.000598372   -0.000403043
     13        6           0.000406396    0.000017556   -0.000287090
     14        6           0.000474911   -0.000047307   -0.000055174
     15        8          -0.000123615    0.000206872    0.000040092
     16        7           0.000098019    0.000278466   -0.000361599
     17        6           0.000185366   -0.000398946   -0.000686503
     18        6           0.000238995    0.000398829    0.000164683
     19        6          -0.000029221   -0.000162307    0.000098217
     20        6          -0.000091079   -0.000008565    0.000092074
     21        6          -0.000007164   -0.000023563    0.000006763
     22        6          -0.000038252    0.000080219    0.000002576
     23        6           0.000003739    0.000153874   -0.000031201
     24        6           0.000136725   -0.000069021   -0.000076562
     25        6          -0.000885720   -0.000730364   -0.000698134
     26        6          -0.000329533    0.000075462    0.000703766
     27        8          -0.000685926    0.000664081    0.000935415
     28        6           0.001283765   -0.000326902    0.000342642
     29        6          -0.000736796   -0.000554929   -0.000799172
     30        6           0.000038871   -0.000211167   -0.000191839
     31        6           0.000343400    0.000137961    0.000147808
     32        6          -0.000070163    0.000013457    0.000038456
     33        6           0.000060461    0.000072858    0.000046421
     34        6           0.000217748    0.000038258   -0.000046831
     35        6          -0.000327047    0.000037694    0.000042527
     36        7          -0.000555979   -0.000880401   -0.000006877
     37        6           0.001195332    0.000314930    0.001093287
     38        8          -0.000354432    0.000595537   -0.000376603
     39        8          -0.000244663    0.000269762   -0.000592880
     40        6           0.000204184   -0.000056326    0.000092713
     41        6          -0.000247358   -0.000249668   -0.000026970
     42        6          -0.000066592    0.000348385    0.000271076
     43        7          -0.000055307    0.000166586   -0.000045972
     44        6           0.000151725   -0.000300182   -0.000119392
     45       16          -0.000161386    0.000089587   -0.000018402
     46        6          -0.000109974   -0.000009959    0.000038650
     47        6          -0.000869721   -0.000481114    0.000517624
     48        6          -0.000139473   -0.000233410   -0.000402048
     49        6          -0.000255910    0.000212638   -0.000494840
     50       16           0.000105759   -0.000100373    0.000383758
     51        1          -0.000038381    0.000033200   -0.000035361
     52        1           0.000041368   -0.000047318    0.000019844
     53        1           0.000034261    0.000002272    0.000011460
     54        1           0.000020673   -0.000069605   -0.000056813
     55        1          -0.000021099   -0.000050103   -0.000068122
     56        1          -0.000000554    0.000003765   -0.000037744
     57        1          -0.000033412    0.000003303   -0.000004006
     58        1          -0.000042295    0.000014133   -0.000186857
     59        1           0.000201207    0.000129749    0.000176576
     60        1           0.000063195   -0.000036400    0.000166134
     61        1          -0.000047693   -0.000065249    0.000010110
     62        1           0.000091903    0.000021845    0.000094253
     63        1           0.000057016    0.000264074    0.000132279
     64        1           0.000084630    0.000005035   -0.000013952
     65        1           0.000073078   -0.000291736   -0.000005441
     66        1          -0.000018504    0.000074182   -0.000302068
     67        1          -0.000082295   -0.000062509   -0.000007172
     68        1          -0.000015764   -0.000032162    0.000155742
     69        1          -0.000000358   -0.000017358   -0.000016716
     70        1          -0.000030335    0.000016480   -0.000008721
     71        1           0.000005145    0.000017820   -0.000006401
     72        1           0.000029821   -0.000002889   -0.000002150
     73        1           0.000000917    0.000026268    0.000054368
     74        1          -0.000022993   -0.000011577   -0.000064947
     75        1           0.000238695    0.000032785    0.000130285
     76        1          -0.000169074    0.000308645    0.000415067
     77        1           0.000205316   -0.000316357   -0.000461862
     78        1           0.000108002   -0.000308688    0.000364343
     79        1          -0.000044535    0.000630604   -0.000347764
     80        1          -0.000019958    0.000501142   -0.000033547
     81        1          -0.000191824   -0.000207607   -0.000094537
     82        1          -0.000011263   -0.000041026   -0.000025867
     83        1           0.000020534    0.000023451   -0.000022858
     84        1          -0.000009613   -0.000001322    0.000006181
     85        1           0.000047358    0.000063269   -0.000002606
     86        1           0.000139300   -0.000050084    0.000160113
     87        1           0.000142099   -0.000119787    0.000022471
     88        1           0.000079570   -0.000012777   -0.000009066
     89        1           0.000018271   -0.000072335   -0.000118504
     90        1          -0.000118511   -0.000020031    0.000084809
     91        1           0.000345608   -0.000023705    0.000005209
     92        1           0.000384993    0.000469205    0.000200226
     93        1           0.000216321   -0.000045066   -0.000309050
     94        1           0.000079998    0.000479204   -0.000031898
     95        1           0.000029438   -0.000149857    0.000103807
     96        1          -0.000083222    0.000085021    0.000119971
     97        1           0.000097795   -0.000089247    0.000086235
     98        1           0.000163840   -0.000063315    0.000210977
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001283765 RMS     0.000294776

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001513817 RMS     0.000199011
 Search for a local minimum.
 Step number  28 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   27   28
 DE= -3.03D-04 DEPred=-2.31D-04 R= 1.31D+00
 SS=  1.41D+00  RLast= 4.69D-01 DXNew= 2.9263D+00 1.4063D+00
 Trust test= 1.31D+00 RLast= 4.69D-01 DXMaxT set to 1.74D+00
     Eigenvalues ---    0.00034   0.00138   0.00209   0.00317   0.00378
     Eigenvalues ---    0.00453   0.00561   0.00605   0.00617   0.00665
     Eigenvalues ---    0.00719   0.00810   0.00914   0.00934   0.00946
     Eigenvalues ---    0.00976   0.01072   0.01095   0.01177   0.01234
     Eigenvalues ---    0.01273   0.01289   0.01391   0.01394   0.01427
     Eigenvalues ---    0.01442   0.01507   0.01568   0.01596   0.01678
     Eigenvalues ---    0.01747   0.01819   0.01855   0.01927   0.01980
     Eigenvalues ---    0.02078   0.02174   0.02194   0.02199   0.02203
     Eigenvalues ---    0.02220   0.02257   0.02269   0.02287   0.02296
     Eigenvalues ---    0.02328   0.02373   0.02405   0.02408   0.02414
     Eigenvalues ---    0.02447   0.02479   0.02484   0.02485   0.02527
     Eigenvalues ---    0.02528   0.02652   0.02699   0.02759   0.03257
     Eigenvalues ---    0.03353   0.03874   0.04031   0.04134   0.04198
     Eigenvalues ---    0.04280   0.04419   0.04542   0.04686   0.04815
     Eigenvalues ---    0.04934   0.04965   0.05029   0.05070   0.05204
     Eigenvalues ---    0.05211   0.05323   0.05359   0.05407   0.05443
     Eigenvalues ---    0.05529   0.05568   0.05604   0.05724   0.05756
     Eigenvalues ---    0.05803   0.05841   0.05912   0.05972   0.06022
     Eigenvalues ---    0.06226   0.06324   0.06470   0.06637   0.06905
     Eigenvalues ---    0.07130   0.07520   0.07565   0.07988   0.08032
     Eigenvalues ---    0.08575   0.09069   0.09579   0.09835   0.10323
     Eigenvalues ---    0.11923   0.12884   0.12929   0.13112   0.13406
     Eigenvalues ---    0.13609   0.13894   0.14313   0.15591   0.15733
     Eigenvalues ---    0.15824   0.15903   0.15939   0.15962   0.15990
     Eigenvalues ---    0.15996   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16006   0.16008
     Eigenvalues ---    0.16013   0.16035   0.16045   0.16062   0.16073
     Eigenvalues ---    0.16101   0.16152   0.16226   0.16439   0.16901
     Eigenvalues ---    0.17057   0.17498   0.17915   0.17999   0.18140
     Eigenvalues ---    0.18539   0.19067   0.19530   0.20331   0.21578
     Eigenvalues ---    0.21614   0.21830   0.21950   0.21998   0.22000
     Eigenvalues ---    0.22001   0.22035   0.22109   0.22317   0.22633
     Eigenvalues ---    0.22781   0.22974   0.23441   0.23487   0.23638
     Eigenvalues ---    0.23661   0.23732   0.24247   0.24418   0.24760
     Eigenvalues ---    0.24923   0.24969   0.25004   0.25020   0.25094
     Eigenvalues ---    0.25201   0.25422   0.25549   0.26392   0.29068
     Eigenvalues ---    0.29467   0.29588   0.29756   0.29865   0.30115
     Eigenvalues ---    0.30186   0.30356   0.30399   0.30731   0.30919
     Eigenvalues ---    0.31239   0.31339   0.31433   0.31454   0.31499
     Eigenvalues ---    0.31605   0.31671   0.31724   0.31993   0.32155
     Eigenvalues ---    0.32252   0.32439   0.32507   0.32543   0.32663
     Eigenvalues ---    0.32758   0.32775   0.32889   0.32933   0.32983
     Eigenvalues ---    0.33017   0.33050   0.33083   0.33165   0.33219
     Eigenvalues ---    0.33351   0.33425   0.33527   0.33568   0.33670
     Eigenvalues ---    0.33708   0.33890   0.33909   0.33980   0.33993
     Eigenvalues ---    0.34169   0.34236   0.34310   0.34338   0.34414
     Eigenvalues ---    0.34493   0.34548   0.34676   0.34841   0.35205
     Eigenvalues ---    0.35848   0.36141   0.36249   0.36313   0.36375
     Eigenvalues ---    0.36627   0.36786   0.36923   0.36972   0.37667
     Eigenvalues ---    0.37997   0.38540   0.39195   0.40491   0.41050
     Eigenvalues ---    0.41316   0.42424   0.42644   0.43133   0.43272
     Eigenvalues ---    0.43427   0.44074   0.44344   0.45133   0.45823
     Eigenvalues ---    0.47516   0.47856   0.48361   0.48397   0.48604
     Eigenvalues ---    0.48871   0.49032   0.49583   0.49984   0.50567
     Eigenvalues ---    0.50955   0.51237   0.51387   0.56336   0.57616
     Eigenvalues ---    0.58756   0.59524   0.62619   0.65187   0.76078
     Eigenvalues ---    0.78203   0.83704   1.170611000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    28   27   26   25   24
 RFO step:  Lambda=-4.99502798D-05.
 DIIS coeffs:      1.15365     -0.30271      0.01173      0.44675     -0.30941
 Iteration  1 RMS(Cart)=  0.04424756 RMS(Int)=  0.00096235
 Iteration  2 RMS(Cart)=  0.00134858 RMS(Int)=  0.00005899
 Iteration  3 RMS(Cart)=  0.00000227 RMS(Int)=  0.00005897
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00005897
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89496   0.00004   0.00026   0.00017   0.00042   2.89538
    R2        2.07220  -0.00001  -0.00007  -0.00021  -0.00028   2.07193
    R3        2.07359  -0.00006  -0.00004  -0.00014  -0.00018   2.07342
    R4        2.07200   0.00001  -0.00004   0.00003   0.00000   2.07200
    R5        2.89404  -0.00005  -0.00014  -0.00030  -0.00045   2.89359
    R6        2.82821  -0.00009  -0.00007   0.00010   0.00002   2.82823
    R7        2.13133   0.00000   0.00001   0.00001   0.00002   2.13134
    R8        2.07233  -0.00003   0.00000  -0.00003  -0.00003   2.07230
    R9        2.07334   0.00003  -0.00005   0.00003  -0.00001   2.07333
   R10        2.07244  -0.00002   0.00005  -0.00005   0.00000   2.07244
   R11        2.47982  -0.00015  -0.00003   0.00031   0.00028   2.48010
   R12        3.36954   0.00017  -0.00010  -0.00056  -0.00066   3.36889
   R13        2.68142   0.00014  -0.00002  -0.00027  -0.00028   2.68114
   R14        2.84120   0.00028   0.00033   0.00069   0.00102   2.84222
   R15        2.58153  -0.00013   0.00010   0.00002   0.00012   2.58165
   R16        2.80208  -0.00011  -0.00003  -0.00038  -0.00041   2.80167
   R17        2.11065  -0.00003  -0.00003  -0.00008  -0.00011   2.11054
   R18        2.12017   0.00000  -0.00001   0.00004   0.00003   2.12020
   R19        2.81304  -0.00052  -0.00025  -0.00086  -0.00111   2.81194
   R20        2.68391  -0.00081  -0.00026   0.00024  -0.00002   2.68389
   R21        2.08396  -0.00015  -0.00003  -0.00018  -0.00021   2.08375
   R22        2.09329   0.00005   0.00005   0.00015   0.00020   2.09349
   R23        2.08161   0.00013   0.00000   0.00017   0.00017   2.08178
   R24        2.31502   0.00026   0.00000   0.00034   0.00034   2.31536
   R25        2.69718  -0.00040  -0.00116  -0.00138  -0.00255   2.69463
   R26        2.80743  -0.00033  -0.00091   0.00000  -0.00091   2.80651
   R27        1.94460   0.00022  -0.00065  -0.00036  -0.00101   1.94359
   R28        2.91239   0.00007  -0.00001   0.00053   0.00052   2.91290
   R29        2.94053   0.00033  -0.00023   0.00085   0.00062   2.94115
   R30        2.13591   0.00004   0.00002   0.00018   0.00020   2.13611
   R31        2.31649   0.00024   0.00005   0.00011   0.00016   2.31665
   R32        2.62067   0.00030   0.00025   0.00071   0.00096   2.62162
   R33        2.81056   0.00037   0.00019   0.00034   0.00053   2.81108
   R34        1.92302   0.00029  -0.00001   0.00018   0.00016   1.92318
   R35        2.92250  -0.00053  -0.00034  -0.00109  -0.00143   2.92107
   R36        2.91247   0.00111   0.00044   0.00266   0.00310   2.91557
   R37        2.13422   0.00014   0.00010   0.00088   0.00098   2.13520
   R38        2.84100   0.00000  -0.00002   0.00007   0.00005   2.84105
   R39        2.10419  -0.00008  -0.00001  -0.00035  -0.00035   2.10384
   R40        2.09680  -0.00006   0.00001   0.00006   0.00007   2.09687
   R41        2.65358  -0.00010   0.00000  -0.00007  -0.00007   2.65351
   R42        2.65246  -0.00016  -0.00010  -0.00025  -0.00035   2.65211
   R43        2.64012  -0.00007  -0.00002  -0.00023  -0.00025   2.63987
   R44        2.05982  -0.00001  -0.00004   0.00003  -0.00001   2.05981
   R45        2.64295  -0.00008  -0.00003   0.00003   0.00001   2.64296
   R46        2.05906  -0.00003   0.00000  -0.00007  -0.00007   2.05899
   R47        2.64250  -0.00008  -0.00003  -0.00023  -0.00025   2.64224
   R48        2.05589  -0.00002   0.00000  -0.00007  -0.00007   2.05582
   R49        2.64128  -0.00018  -0.00007  -0.00016  -0.00023   2.64105
   R50        2.05808  -0.00002   0.00001  -0.00006  -0.00005   2.05803
   R51        2.05493   0.00001   0.00002   0.00005   0.00007   2.05500
   R52        2.89406   0.00151   0.00086   0.00261   0.00348   2.89753
   R53        2.10467  -0.00002   0.00021  -0.00067  -0.00046   2.10421
   R54        2.09185  -0.00027  -0.00034  -0.00039  -0.00072   2.09112
   R55        2.72794  -0.00007   0.00011   0.00005   0.00016   2.72810
   R56        2.95286  -0.00084  -0.00039  -0.00215  -0.00254   2.95032
   R57        2.10769   0.00014   0.00024  -0.00010   0.00014   2.10783
   R58        1.88319  -0.00032   0.00118  -0.00141  -0.00023   1.88296
   R59        2.90287   0.00147   0.00104   0.00129   0.00233   2.90520
   R60        2.81030   0.00039   0.00051   0.00026   0.00077   2.81107
   R61        2.12509   0.00030   0.00019   0.00145   0.00165   2.12673
   R62        2.84216  -0.00014   0.00013  -0.00037  -0.00024   2.84192
   R63        2.11071   0.00061   0.00058   0.00115   0.00173   2.11244
   R64        2.09883  -0.00015  -0.00015  -0.00042  -0.00057   2.09826
   R65        2.65140  -0.00005  -0.00002  -0.00039  -0.00041   2.65099
   R66        2.65212  -0.00008   0.00000   0.00011   0.00011   2.65223
   R67        2.63936  -0.00001  -0.00004   0.00015   0.00011   2.63947
   R68        2.06502  -0.00029   0.00008  -0.00053  -0.00046   2.06456
   R69        2.64371  -0.00012  -0.00004  -0.00029  -0.00032   2.64339
   R70        2.05777  -0.00004  -0.00003  -0.00010  -0.00013   2.05764
   R71        2.64245   0.00002   0.00001   0.00019   0.00020   2.64265
   R72        2.05525  -0.00003  -0.00005  -0.00011  -0.00016   2.05508
   R73        2.64149  -0.00020  -0.00005  -0.00046  -0.00051   2.64098
   R74        2.05702   0.00000  -0.00002  -0.00002  -0.00004   2.05698
   R75        2.05384  -0.00003  -0.00006  -0.00006  -0.00012   2.05372
   R76        2.60473   0.00100   0.00037   0.00192   0.00229   2.60702
   R77        1.93003   0.00017   0.00014   0.00108   0.00122   1.93125
   R78        2.29384   0.00072   0.00006   0.00101   0.00107   2.29491
   R79        2.65272  -0.00048   0.00008  -0.00087  -0.00079   2.65193
   R80        2.75431  -0.00018  -0.00027   0.00043   0.00016   2.75446
   R81        2.79578  -0.00048  -0.00054  -0.00086  -0.00140   2.79437
   R82        2.09985  -0.00004   0.00004  -0.00064  -0.00059   2.09926
   R83        2.09846  -0.00004  -0.00028  -0.00008  -0.00036   2.09811
   R84        2.59014  -0.00018   0.00002   0.00030   0.00032   2.59046
   R85        3.28773  -0.00004  -0.00028  -0.00089  -0.00118   3.28656
   R86        2.66363  -0.00008  -0.00019  -0.00080  -0.00099   2.66265
   R87        2.05345   0.00001  -0.00002   0.00001   0.00000   2.05345
   R88        2.48180  -0.00019   0.00022   0.00055   0.00077   2.48257
   R89        3.34262   0.00007  -0.00053  -0.00138  -0.00191   3.34071
   R90        2.04804  -0.00013  -0.00001  -0.00024  -0.00026   2.04778
   R91        2.88860   0.00057  -0.00012   0.00090   0.00078   2.88938
   R92        2.89150   0.00037   0.00030   0.00035   0.00065   2.89215
   R93        2.12081   0.00032   0.00009   0.00106   0.00115   2.12197
   R94        2.07074   0.00045   0.00028   0.00074   0.00102   2.07176
   R95        2.08279  -0.00015   0.00113  -0.00077   0.00036   2.08315
   R96        2.07656  -0.00003   0.00016  -0.00001   0.00015   2.07671
   R97        2.07285   0.00013   0.00004   0.00051   0.00054   2.07340
   R98        2.08043   0.00002   0.00022  -0.00054  -0.00032   2.08011
   R99        2.06929   0.00009   0.00010   0.00003   0.00013   2.06942
   R100       3.27742   0.00022   0.00000  -0.00024  -0.00025   3.27717
   R101       2.04087   0.00002  -0.00014  -0.00025  -0.00039   2.04048
    A1        1.93471   0.00000   0.00008   0.00002   0.00011   1.93482
    A2        1.94422   0.00000  -0.00011  -0.00023  -0.00034   1.94388
    A3        1.96129   0.00000  -0.00014  -0.00003  -0.00017   1.96112
    A4        1.87450  -0.00001   0.00003   0.00021   0.00024   1.87473
    A5        1.86930   0.00001   0.00034   0.00032   0.00066   1.86995
    A6        1.87567   0.00000  -0.00018  -0.00027  -0.00045   1.87523
    A7        1.95112   0.00003   0.00020   0.00004   0.00024   1.95136
    A8        1.92384   0.00001  -0.00095  -0.00080  -0.00175   1.92209
    A9        1.88815   0.00003   0.00004   0.00093   0.00096   1.88912
   A10        1.92941  -0.00005   0.00086   0.00043   0.00130   1.93071
   A11        1.88944  -0.00001  -0.00014  -0.00018  -0.00033   1.88911
   A12        1.87965  -0.00001  -0.00002  -0.00041  -0.00043   1.87922
   A13        1.96127   0.00003   0.00033   0.00049   0.00082   1.96209
   A14        1.94683  -0.00003   0.00020  -0.00029  -0.00009   1.94674
   A15        1.93461  -0.00003  -0.00011  -0.00002  -0.00013   1.93448
   A16        1.87585  -0.00001  -0.00010  -0.00013  -0.00022   1.87563
   A17        1.86796   0.00003  -0.00024  -0.00016  -0.00040   1.86756
   A18        1.87295   0.00002  -0.00011   0.00008  -0.00003   1.87292
   A19        2.20757   0.00004   0.00008  -0.00046  -0.00039   2.20718
   A20        2.11877  -0.00006  -0.00013   0.00034   0.00021   2.11898
   A21        1.95685   0.00001   0.00006   0.00012   0.00017   1.95702
   A22        1.95982   0.00006   0.00005  -0.00012  -0.00006   1.95976
   A23        2.04366  -0.00037  -0.00046  -0.00091  -0.00137   2.04229
   A24        2.01187  -0.00003  -0.00014  -0.00010  -0.00024   2.01163
   A25        2.22760   0.00041   0.00061   0.00100   0.00161   2.22921
   A26        1.99009   0.00015   0.00030   0.00080   0.00110   1.99119
   A27        1.91617   0.00014   0.00075   0.00126   0.00201   1.91818
   A28        1.92035  -0.00032  -0.00107  -0.00241  -0.00347   1.91688
   A29        1.91580  -0.00014   0.00012  -0.00026  -0.00014   1.91566
   A30        1.87507   0.00015  -0.00005   0.00097   0.00091   1.87598
   A31        1.84001   0.00001  -0.00012  -0.00048  -0.00060   1.83941
   A32        1.99593  -0.00043   0.00062  -0.00140  -0.00070   1.99523
   A33        2.12535   0.00037   0.00144   0.00013   0.00163   2.12699
   A34        2.01707   0.00006   0.00125  -0.00030   0.00102   2.01809
   A35        1.89782   0.00004  -0.00041   0.00003  -0.00038   1.89743
   A36        1.92287  -0.00007   0.00085  -0.00016   0.00069   1.92356
   A37        1.96453  -0.00005  -0.00047   0.00015  -0.00033   1.96421
   A38        1.88485   0.00006  -0.00006   0.00049   0.00042   1.88528
   A39        1.90251  -0.00002   0.00008   0.00002   0.00010   1.90261
   A40        1.88958   0.00005   0.00003  -0.00050  -0.00047   1.88911
   A41        2.11821   0.00018   0.00025  -0.00008   0.00018   2.11839
   A42        2.05422   0.00025   0.00007   0.00043   0.00050   2.05473
   A43        2.11052  -0.00043  -0.00042  -0.00032  -0.00074   2.10979
   A44        2.02843   0.00001   0.00072   0.00286   0.00351   2.03194
   A45        2.06308   0.00002   0.00164   0.00385   0.00541   2.06849
   A46        1.96828   0.00004   0.00120   0.00339   0.00451   1.97279
   A47        1.89365  -0.00007  -0.00046  -0.00151  -0.00196   1.89168
   A48        1.90811   0.00013   0.00045  -0.00072  -0.00026   1.90785
   A49        1.88810   0.00006  -0.00007   0.00116   0.00108   1.88919
   A50        1.94744  -0.00016  -0.00089   0.00225   0.00136   1.94880
   A51        1.93095   0.00010   0.00084  -0.00090  -0.00006   1.93089
   A52        1.89461  -0.00005   0.00014  -0.00030  -0.00015   1.89445
   A53        2.13354  -0.00005   0.00012   0.00066   0.00078   2.13432
   A54        2.02857   0.00010   0.00005   0.00040   0.00044   2.02901
   A55        2.12012  -0.00004  -0.00008  -0.00090  -0.00098   2.11914
   A56        2.10796   0.00037   0.00007   0.00038   0.00046   2.10842
   A57        2.12247  -0.00014  -0.00029   0.00061   0.00033   2.12280
   A58        2.03528  -0.00025  -0.00007  -0.00011  -0.00018   2.03510
   A59        1.91112  -0.00014   0.00001   0.00036   0.00037   1.91149
   A60        1.92969   0.00018   0.00043   0.00129   0.00172   1.93142
   A61        1.87676   0.00005  -0.00010   0.00095   0.00085   1.87761
   A62        1.95667  -0.00010   0.00003  -0.00142  -0.00140   1.95528
   A63        1.88674  -0.00002  -0.00007  -0.00140  -0.00147   1.88527
   A64        1.90060   0.00003  -0.00032   0.00025  -0.00007   1.90053
   A65        1.99397  -0.00020   0.00009  -0.00105  -0.00096   1.99301
   A66        1.89238   0.00015   0.00023   0.00168   0.00191   1.89429
   A67        1.90069  -0.00004  -0.00027  -0.00097  -0.00124   1.89945
   A68        1.91700   0.00005   0.00035   0.00065   0.00100   1.91800
   A69        1.92618   0.00006  -0.00044  -0.00043  -0.00087   1.92531
   A70        1.82579   0.00000   0.00004   0.00025   0.00029   1.82608
   A71        2.09489   0.00007   0.00004   0.00042   0.00046   2.09535
   A72        2.10299  -0.00010  -0.00006  -0.00039  -0.00045   2.10254
   A73        2.08528   0.00003   0.00002  -0.00002  -0.00001   2.08527
   A74        2.09693  -0.00001  -0.00001   0.00005   0.00003   2.09697
   A75        2.09634   0.00002   0.00009  -0.00012  -0.00003   2.09632
   A76        2.08986  -0.00001  -0.00008   0.00006  -0.00002   2.08984
   A77        2.09882  -0.00004  -0.00002  -0.00009  -0.00012   2.09871
   A78        2.09051   0.00001   0.00001   0.00008   0.00010   2.09061
   A79        2.09385   0.00003   0.00001   0.00001   0.00002   2.09387
   A80        2.08970   0.00001   0.00001   0.00005   0.00006   2.08976
   A81        2.09667  -0.00001  -0.00001  -0.00021  -0.00021   2.09646
   A82        2.09681   0.00000   0.00000   0.00016   0.00015   2.09696
   A83        2.09917   0.00000   0.00000  -0.00004  -0.00003   2.09913
   A84        2.09310  -0.00002   0.00001  -0.00005  -0.00005   2.09305
   A85        2.09091   0.00002  -0.00001   0.00009   0.00008   2.09100
   A86        2.09643   0.00001   0.00001   0.00006   0.00006   2.09649
   A87        2.09749  -0.00002  -0.00004   0.00004   0.00000   2.09749
   A88        2.08924   0.00001   0.00003  -0.00009  -0.00006   2.08919
   A89        1.95129   0.00068   0.00015   0.00260   0.00275   1.95404
   A90        1.92424  -0.00024   0.00008  -0.00068  -0.00060   1.92363
   A91        1.90979  -0.00019  -0.00036  -0.00068  -0.00104   1.90875
   A92        1.89240  -0.00013   0.00011   0.00021   0.00032   1.89272
   A93        1.94138  -0.00025   0.00013  -0.00114  -0.00100   1.94037
   A94        1.84161   0.00009  -0.00012  -0.00050  -0.00063   1.84099
   A95        1.83342   0.00060   0.00007   0.00327   0.00333   1.83674
   A96        1.96155  -0.00017   0.00003  -0.00171  -0.00168   1.95987
   A97        1.95769   0.00011   0.00042   0.00113   0.00155   1.95924
   A98        1.85247  -0.00050  -0.00031  -0.00160  -0.00191   1.85055
   A99        1.90991  -0.00008  -0.00037  -0.00105  -0.00142   1.90848
   A100       1.94192   0.00004   0.00010  -0.00002   0.00008   1.94201
   A101       1.92144   0.00005  -0.00027   0.00008  -0.00019   1.92125
   A102       1.93500  -0.00006   0.00023  -0.00047  -0.00026   1.93474
   A103       1.89966  -0.00015  -0.00055   0.00231   0.00177   1.90143
   A104       1.90032  -0.00003  -0.00068  -0.00113  -0.00181   1.89851
   A105       1.96539   0.00033   0.00236   0.00109   0.00344   1.96883
   A106       1.91466   0.00007  -0.00031   0.00145   0.00115   1.91581
   A107       1.84585  -0.00017  -0.00121  -0.00344  -0.00463   1.84122
   A108       1.95514  -0.00022   0.00048  -0.00103  -0.00055   1.95459
   A109       1.91738   0.00024   0.00089   0.00055   0.00144   1.91882
   A110       1.91012   0.00033   0.00045   0.00342   0.00387   1.91399
   A111       1.92691  -0.00010  -0.00082  -0.00189  -0.00271   1.92420
   A112       1.91741   0.00003  -0.00050   0.00115   0.00064   1.91805
   A113       1.83294  -0.00027  -0.00055  -0.00221  -0.00277   1.83018
   A114       2.09525  -0.00032  -0.00029  -0.00093  -0.00123   2.09402
   A115       2.09857   0.00031   0.00026   0.00092   0.00118   2.09975
   A116       2.08936   0.00001   0.00003   0.00002   0.00005   2.08940
   A117       2.09490   0.00001   0.00001   0.00013   0.00014   2.09504
   A118       2.08853   0.00003  -0.00020   0.00005  -0.00015   2.08838
   A119       2.09974  -0.00004   0.00019  -0.00018   0.00001   2.09975
   A120       2.09858  -0.00006  -0.00003  -0.00022  -0.00025   2.09833
   A121       2.09082   0.00006   0.00002   0.00020   0.00021   2.09103
   A122       2.09379   0.00000   0.00002   0.00002   0.00004   2.09383
   A123       2.09087   0.00002   0.00002   0.00010   0.00013   2.09099
   A124       2.09612  -0.00003   0.00000  -0.00008  -0.00008   2.09603
   A125       2.09620   0.00000  -0.00002  -0.00002  -0.00004   2.09616
   A126       2.09867   0.00002   0.00001   0.00001   0.00002   2.09869
   A127       2.09327  -0.00002  -0.00003  -0.00009  -0.00012   2.09316
   A128       2.09124   0.00000   0.00001   0.00008   0.00010   2.09133
   A129       2.09400  -0.00001  -0.00004  -0.00005  -0.00009   2.09391
   A130       2.09933  -0.00007  -0.00001  -0.00043  -0.00045   2.09888
   A131       2.08986   0.00008   0.00006   0.00048   0.00053   2.09039
   A132       2.16050   0.00034   0.00180   0.00071   0.00174   2.16225
   A133       2.02771  -0.00011  -0.00108  -0.00409  -0.00595   2.02176
   A134       2.08007  -0.00024  -0.00105  -0.00338  -0.00522   2.07486
   A135       2.27757   0.00010   0.00122   0.00042   0.00161   2.27918
   A136       1.87170  -0.00009  -0.00053  -0.00037  -0.00092   1.87078
   A137       2.13350  -0.00002  -0.00074  -0.00033  -0.00110   2.13240
   A138       2.02126   0.00033  -0.00043   0.00181   0.00138   2.02264
   A139       1.89493   0.00025  -0.00011   0.00034   0.00023   1.89516
   A140       1.77250  -0.00005   0.00012  -0.00063  -0.00051   1.77198
   A141       1.91049  -0.00009  -0.00028  -0.00022  -0.00051   1.90998
   A142       1.96315  -0.00009  -0.00014  -0.00045  -0.00059   1.96256
   A143       1.98736  -0.00013   0.00034   0.00016   0.00050   1.98786
   A144       1.92250   0.00013   0.00003   0.00071   0.00074   1.92324
   A145       2.24763   0.00015  -0.00050  -0.00118  -0.00168   2.24595
   A146       2.12539  -0.00021   0.00048   0.00127   0.00175   2.12714
   A147       1.91007   0.00006   0.00004  -0.00012  -0.00008   1.90999
   A148       2.01380   0.00000  -0.00002   0.00022   0.00020   2.01400
   A149       2.20930   0.00001  -0.00002  -0.00019  -0.00021   2.20909
   A150       2.06008  -0.00001   0.00004  -0.00003   0.00001   2.06009
   A151       1.95439   0.00001  -0.00014  -0.00061  -0.00076   1.95364
   A152       1.96944   0.00003   0.00011   0.00042   0.00053   1.96997
   A153       2.19085   0.00000  -0.00038  -0.00125  -0.00164   2.18922
   A154       2.12287  -0.00003   0.00028   0.00085   0.00112   2.12400
   A155       1.57695  -0.00010   0.00004   0.00011   0.00015   1.57710
   A156       1.97024   0.00000  -0.00082   0.00008  -0.00075   1.96949
   A157       1.91627  -0.00024  -0.00012   0.00060   0.00046   1.91673
   A158       1.85836   0.00006   0.00027  -0.00121  -0.00094   1.85742
   A159       1.93659   0.00020  -0.00066   0.00129   0.00063   1.93722
   A160       1.88623  -0.00004   0.00068  -0.00063   0.00005   1.88628
   A161       1.89276   0.00002   0.00080  -0.00027   0.00052   1.89328
   A162       1.95867  -0.00007  -0.00078  -0.00245  -0.00324   1.95543
   A163       1.96474  -0.00035  -0.00074  -0.00003  -0.00079   1.96395
   A164       1.93916   0.00047   0.00035   0.00188   0.00222   1.94138
   A165       1.85412   0.00020  -0.00018  -0.00036  -0.00056   1.85357
   A166       1.87059  -0.00041   0.00043  -0.00571  -0.00528   1.86531
   A167       1.87078   0.00014   0.00105   0.00669   0.00773   1.87851
   A168       1.93356   0.00013   0.00012   0.00069   0.00081   1.93437
   A169       1.96403  -0.00007  -0.00036   0.00085   0.00049   1.96453
   A170       1.95579   0.00005   0.00023  -0.00046  -0.00023   1.95556
   A171       1.85913  -0.00006  -0.00003  -0.00242  -0.00245   1.85667
   A172       1.86694  -0.00014  -0.00005  -0.00044  -0.00049   1.86645
   A173       1.87894   0.00008   0.00010   0.00165   0.00175   1.88068
   A174       1.91533   0.00004   0.00009   0.00012   0.00021   1.91554
   A175       2.23771   0.00025   0.00044   0.00057   0.00101   2.23872
   A176       2.13012  -0.00030  -0.00053  -0.00069  -0.00121   2.12891
   A177       1.58090  -0.00008  -0.00005  -0.00003  -0.00007   1.58082
    D1        1.05277   0.00006   0.00151  -0.00393  -0.00242   1.05035
    D2       -3.07708   0.00002   0.00207  -0.00392  -0.00185  -3.07893
    D3       -1.02603   0.00003   0.00154  -0.00432  -0.00278  -1.02881
    D4        3.13902   0.00004   0.00152  -0.00381  -0.00228   3.13674
    D5       -0.99083   0.00000   0.00209  -0.00380  -0.00171  -0.99254
    D6        1.06022   0.00002   0.00156  -0.00419  -0.00264   1.05758
    D7       -1.03827   0.00005   0.00111  -0.00433  -0.00322  -1.04149
    D8        1.11506   0.00001   0.00168  -0.00433  -0.00264   1.11242
    D9       -3.11708   0.00002   0.00115  -0.00472  -0.00358  -3.12066
   D10        0.97348   0.00002  -0.00238   0.00456   0.00219   0.97566
   D11        3.08144   0.00000  -0.00213   0.00454   0.00242   3.08386
   D12       -1.11579  -0.00002  -0.00221   0.00445   0.00223  -1.11355
   D13       -1.17670   0.00003  -0.00192   0.00526   0.00334  -1.17337
   D14        0.93126   0.00001  -0.00167   0.00524   0.00357   0.93483
   D15        3.01722  -0.00001  -0.00175   0.00514   0.00338   3.02060
   D16        3.05152   0.00007  -0.00230   0.00561   0.00331   3.05482
   D17       -1.12370   0.00005  -0.00205   0.00559   0.00354  -1.12017
   D18        0.96225   0.00003  -0.00214   0.00549   0.00335   0.96561
   D19        2.00291   0.00001  -0.01902  -0.01206  -0.03108   1.97183
   D20       -1.13847   0.00003  -0.01612  -0.01094  -0.02706  -1.16553
   D21       -2.11435   0.00002  -0.01882  -0.01228  -0.03110  -2.14545
   D22        1.02745   0.00004  -0.01592  -0.01115  -0.02707   1.00038
   D23       -0.05339  -0.00002  -0.01852  -0.01250  -0.03102  -0.08441
   D24        3.08842   0.00000  -0.01562  -0.01137  -0.02699   3.06142
   D25       -3.13781  -0.00001   0.00141   0.00087   0.00227  -3.13554
   D26        0.00359  -0.00003  -0.00127  -0.00017  -0.00144   0.00215
   D27        3.13684   0.00001  -0.00098  -0.00113  -0.00212   3.13472
   D28       -0.00456   0.00003   0.00153  -0.00016   0.00137  -0.00319
   D29        3.13112   0.00000   0.00046   0.00042   0.00087   3.13199
   D30       -0.00034   0.00001   0.00023   0.00054   0.00077   0.00043
   D31        2.13807   0.00001  -0.00588  -0.00419  -0.01008   2.12799
   D32       -1.98729   0.00005  -0.00492  -0.00299  -0.00790  -1.99519
   D33        0.03023  -0.00005  -0.00524  -0.00422  -0.00946   0.02076
   D34       -1.01509   0.00000  -0.00563  -0.00435  -0.00998  -1.02507
   D35        1.14273   0.00003  -0.00466  -0.00314  -0.00780   1.13493
   D36       -3.12294  -0.00006  -0.00499  -0.00437  -0.00936  -3.13230
   D37       -0.00312   0.00001   0.00093  -0.00064   0.00029  -0.00283
   D38       -3.13757   0.00001   0.00037  -0.00022   0.00015  -3.13742
   D39       -3.13332   0.00003   0.00069  -0.00049   0.00020  -3.13312
   D40        0.01542   0.00003   0.00012  -0.00007   0.00005   0.01547
   D41       -1.23106   0.00008  -0.00258  -0.00602  -0.00859  -1.23965
   D42        1.33285   0.00008   0.00419  -0.00898  -0.00479   1.32806
   D43        2.89410  -0.00010  -0.00388  -0.00805  -0.01193   2.88217
   D44       -0.82518  -0.00010   0.00289  -0.01101  -0.00812  -0.83330
   D45        0.90185  -0.00012  -0.00378  -0.00786  -0.01164   0.89022
   D46       -2.81742  -0.00013   0.00299  -0.01083  -0.00783  -2.82526
   D47       -1.19808   0.00012  -0.00529   0.00121  -0.00408  -1.20216
   D48        3.02259   0.00006  -0.00547   0.00070  -0.00476   3.01783
   D49        0.91174   0.00009  -0.00578   0.00136  -0.00442   0.90731
   D50        2.48411   0.00000  -0.01170   0.00381  -0.00789   2.47622
   D51        0.42160  -0.00005  -0.01187   0.00329  -0.00858   0.41302
   D52       -1.68926  -0.00003  -0.01219   0.00395  -0.00824  -1.69750
   D53       -2.88651   0.00016  -0.00273   0.01206   0.00935  -2.87716
   D54        0.27781   0.00008   0.00143   0.01040   0.01184   0.28965
   D55       -0.32907   0.00001   0.00396   0.00873   0.01268  -0.31639
   D56        2.83525  -0.00007   0.00812   0.00707   0.01517   2.85042
   D57        2.81044  -0.00001  -0.00201  -0.00065  -0.00266   2.80778
   D58        0.38583  -0.00013  -0.00737  -0.01586  -0.02325   0.36258
   D59       -0.30853  -0.00010   0.00210  -0.00231  -0.00019  -0.30872
   D60       -2.73314  -0.00022  -0.00326  -0.01752  -0.02079  -2.75393
   D61       -1.70150  -0.00021  -0.00525  -0.01348  -0.01875  -1.72025
   D62        2.45424  -0.00005  -0.00416  -0.01486  -0.01903   2.43521
   D63        0.39407  -0.00009  -0.00455  -0.01476  -0.01932   0.37475
   D64        0.76104  -0.00011   0.00001   0.00112   0.00113   0.76218
   D65       -1.36640   0.00006   0.00110  -0.00026   0.00085  -1.36555
   D66        2.85661   0.00001   0.00071  -0.00016   0.00056   2.85717
   D67       -0.61758   0.00001  -0.00300   0.00456   0.00155  -0.61602
   D68        2.47755   0.00027  -0.00078   0.00850   0.00773   2.48527
   D69        1.48564   0.00002  -0.00328   0.00407   0.00078   1.48642
   D70       -1.70242   0.00028  -0.00106   0.00801   0.00695  -1.69547
   D71       -2.68624  -0.00009  -0.00313   0.00459   0.00147  -2.68477
   D72        0.40888   0.00017  -0.00090   0.00854   0.00764   0.41652
   D73        1.26080  -0.00018   0.00016  -0.01388  -0.01372   1.24708
   D74       -2.85168  -0.00010  -0.00140  -0.01169  -0.01310  -2.86478
   D75       -0.80611  -0.00017  -0.00039  -0.01238  -0.01276  -0.81887
   D76       -0.83392  -0.00008   0.00099  -0.01295  -0.01196  -0.84588
   D77        1.33678   0.00000  -0.00057  -0.01076  -0.01133   1.32545
   D78       -2.90083  -0.00007   0.00044  -0.01144  -0.01100  -2.91183
   D79       -2.96628  -0.00007   0.00040  -0.01307  -0.01266  -2.97894
   D80       -0.79558   0.00001  -0.00116  -0.01088  -0.01203  -0.80761
   D81        1.24999  -0.00006  -0.00014  -0.01156  -0.01170   1.23829
   D82        3.11995  -0.00033  -0.00206   0.00072  -0.00134   3.11861
   D83        0.18490  -0.00014  -0.00046  -0.00443  -0.00488   0.18002
   D84       -0.06773  -0.00007   0.00016   0.00467   0.00483  -0.06290
   D85       -3.00278   0.00012   0.00176  -0.00047   0.00128  -3.00149
   D86        2.41692   0.00020   0.01521  -0.00564   0.00957   2.42649
   D87       -1.70195   0.00010   0.01554  -0.00631   0.00924  -1.69272
   D88        0.37092   0.00027   0.01534  -0.00470   0.01064   0.38156
   D89       -0.92129   0.00003   0.01366  -0.00066   0.01300  -0.90829
   D90        1.24302  -0.00008   0.01399  -0.00133   0.01266   1.25568
   D91       -2.96729   0.00010   0.01379   0.00028   0.01407  -2.95322
   D92        1.07828   0.00008  -0.00287  -0.00188  -0.00474   1.07354
   D93       -1.06570   0.00003  -0.00355  -0.00326  -0.00681  -1.07251
   D94       -3.04266  -0.00002  -0.00358  -0.00393  -0.00751  -3.05017
   D95       -1.07014   0.00001  -0.00344  -0.00282  -0.00625  -1.07639
   D96        3.06907  -0.00003  -0.00412  -0.00420  -0.00832   3.06075
   D97        1.09211  -0.00009  -0.00415  -0.00487  -0.00902   1.08309
   D98        3.11800   0.00005  -0.00302  -0.00133  -0.00435   3.11365
   D99        0.97402   0.00001  -0.00370  -0.00271  -0.00642   0.96760
   D100      -1.00294  -0.00005  -0.00374  -0.00338  -0.00712  -1.01005
   D101       1.15527   0.00016  -0.00296  -0.00073  -0.00369   1.15158
   D102      -0.95122   0.00004  -0.00326  -0.00227  -0.00552  -0.95674
   D103      -2.96921   0.00017  -0.00295  -0.00088  -0.00382  -2.97303
   D104      -2.99001   0.00004  -0.00263  -0.00033  -0.00296  -2.99297
   D105       1.18669  -0.00008  -0.00292  -0.00187  -0.00479   1.18190
   D106      -0.83130   0.00005  -0.00261  -0.00048  -0.00309  -0.83439
   D107      -0.90306  -0.00003  -0.00290  -0.00280  -0.00570  -0.90876
   D108      -3.00955  -0.00015  -0.00320  -0.00434  -0.00753  -3.01708
   D109       1.25565  -0.00002  -0.00289  -0.00295  -0.00583   1.24981
   D110      -1.59519  -0.00008  -0.00460   0.00291  -0.00168  -1.59687
   D111       1.55392  -0.00008  -0.00462   0.00245  -0.00218   1.55174
   D112       0.53536   0.00002  -0.00397   0.00486   0.00089   0.53625
   D113      -2.59872   0.00001  -0.00400   0.00439   0.00040  -2.59833
   D114       2.53949   0.00008  -0.00397   0.00529   0.00133   2.54081
   D115      -0.59459   0.00007  -0.00400   0.00483   0.00083  -0.59376
   D116       3.13971   0.00001   0.00004  -0.00042  -0.00038   3.13933
   D117      -0.01272  -0.00001  -0.00007  -0.00128  -0.00135  -0.01407
   D118      -0.00932   0.00001   0.00007   0.00004   0.00011  -0.00921
   D119       3.12143  -0.00001  -0.00004  -0.00082  -0.00086   3.12057
   D120      -3.13977   0.00000   0.00004   0.00039   0.00043  -3.13935
   D121       0.00879  -0.00003  -0.00022  -0.00039  -0.00061   0.00819
   D122       0.00929  -0.00001   0.00001  -0.00008  -0.00006   0.00923
   D123      -3.12533  -0.00003  -0.00025  -0.00085  -0.00110  -3.12643
   D124       0.00240  -0.00001  -0.00008  -0.00005  -0.00013   0.00227
   D125       3.14077  -0.00001  -0.00006  -0.00021  -0.00027   3.14050
   D126      -3.12839   0.00001   0.00003   0.00081   0.00084  -3.12755
   D127       0.00998   0.00001   0.00005   0.00065   0.00070   0.01067
   D128       0.00459   0.00000   0.00002   0.00009   0.00011   0.00470
   D129      -3.14130   0.00000   0.00007   0.00004   0.00011  -3.14119
   D130      -3.13377   0.00000   0.00000   0.00025   0.00025  -3.13352
   D131       0.00352   0.00001   0.00005   0.00020   0.00025   0.00377
   D132      -0.00462   0.00000   0.00006  -0.00013  -0.00007  -0.00468
   D133       3.13481   0.00001   0.00013  -0.00006   0.00007   3.13488
   D134       3.14127   0.00000   0.00001  -0.00008  -0.00006   3.14121
   D135      -0.00249   0.00001   0.00008  -0.00001   0.00007  -0.00241
   D136      -0.00235   0.00000  -0.00008   0.00012   0.00004  -0.00231
   D137       3.13230   0.00002   0.00018   0.00090   0.00107   3.13337
   D138       3.14140   0.00000  -0.00015   0.00006  -0.00009   3.14131
   D139      -0.00713   0.00002   0.00011   0.00083   0.00094  -0.00619
   D140      -1.68721  -0.00019  -0.00918   0.00516  -0.00403  -1.69124
   D141       2.58949   0.00014  -0.00886   0.00600  -0.00286   2.58663
   D142       0.38593   0.00014  -0.00937   0.00649  -0.00287   0.38306
   D143       0.43771  -0.00015  -0.00891   0.00611  -0.00280   0.43491
   D144      -1.56878   0.00018  -0.00859   0.00696  -0.00163  -1.57041
   D145       2.51085   0.00018  -0.00910   0.00745  -0.00164   2.50921
   D146       2.45517  -0.00025  -0.00892   0.00500  -0.00393   2.45124
   D147       0.44868   0.00008  -0.00860   0.00584  -0.00276   0.44592
   D148      -1.75487   0.00008  -0.00911   0.00633  -0.00277  -1.75764
   D149       2.37916  -0.00011   0.00706  -0.01766  -0.01060   2.36856
   D150      -1.82300  -0.00025   0.00698  -0.01879  -0.01181  -1.83482
   D151       0.27418  -0.00054   0.00672  -0.02030  -0.01358   0.26061
   D152      -1.23520   0.00021  -0.00019  -0.01350  -0.01368  -1.24889
   D153       2.87698  -0.00006  -0.00293  -0.01617  -0.01910   2.85788
   D154       0.87274   0.00024  -0.00087  -0.01273  -0.01359   0.85914
   D155       3.05309  -0.00013  -0.00009  -0.01560  -0.01569   3.03740
   D156       0.88209  -0.00040  -0.00283  -0.01827  -0.02111   0.86098
   D157      -1.12215  -0.00009  -0.00077  -0.01483  -0.01560  -1.13776
   D158       0.97684   0.00025   0.00048  -0.01336  -0.01287   0.96397
   D159      -1.19416  -0.00002  -0.00226  -0.01602  -0.01828  -1.21244
   D160       3.08478   0.00029  -0.00020  -0.01258  -0.01278   3.07200
   D161       2.97743   0.00004   0.00069  -0.01232  -0.01162   2.96580
   D162      -1.15748  -0.00007   0.00060  -0.01505  -0.01445  -1.17192
   D163       0.84641  -0.00008   0.00069  -0.01548  -0.01479   0.83163
   D164      -1.17262   0.00003   0.00183  -0.00889  -0.00706  -1.17968
   D165       0.97566  -0.00008   0.00175  -0.01162  -0.00988   0.96578
   D166       2.97955  -0.00009   0.00183  -0.01205  -0.01022   2.96933
   D167       0.87800   0.00007   0.00160  -0.01155  -0.00995   0.86805
   D168       3.02628  -0.00004   0.00152  -0.01429  -0.01277   3.01351
   D169      -1.25301  -0.00005   0.00160  -0.01471  -0.01311  -1.26612
   D170       1.42839   0.00004   0.01218  -0.00652   0.00572   1.43410
   D171      -1.52655   0.00012   0.02174   0.03585   0.05755  -1.46900
   D172      -0.72456   0.00000   0.01070  -0.00833   0.00240  -0.72216
   D173       2.60368   0.00008   0.02026   0.03403   0.05424   2.65792
   D174      -2.81548  -0.00016   0.01051  -0.00851   0.00204  -2.81343
   D175       0.51277  -0.00008   0.02007   0.03385   0.05388   0.56665
   D176       1.80048  -0.00013   0.00101  -0.00575  -0.00474   1.79574
   D177      -1.34660  -0.00011   0.00069  -0.00478  -0.00409  -1.35069
   D178      -0.34240  -0.00021   0.00012  -0.00438  -0.00426  -0.34666
   D179       2.79370  -0.00020  -0.00019  -0.00342  -0.00361   2.79009
   D180      -2.35586   0.00016   0.00156  -0.00129   0.00027  -2.35558
   D181       0.78024   0.00018   0.00125  -0.00032   0.00093   0.78117
   D182       3.13387   0.00001  -0.00029  -0.00006  -0.00035   3.13352
   D183      -0.01294   0.00004  -0.00002  -0.00009  -0.00011  -0.01305
   D184      -0.00226  -0.00001   0.00002  -0.00102  -0.00100  -0.00326
   D185       3.13412   0.00003   0.00029  -0.00106  -0.00077   3.13335
   D186      -3.13460  -0.00001   0.00022  -0.00016   0.00006  -3.13454
   D187       0.00503  -0.00002   0.00024  -0.00032  -0.00008   0.00495
   D188       0.00152   0.00000  -0.00010   0.00080   0.00071   0.00223
   D189       3.14115   0.00000  -0.00007   0.00064   0.00056  -3.14147
   D190       0.00129   0.00001   0.00005   0.00056   0.00061   0.00190
   D191      -3.14085   0.00002   0.00021   0.00068   0.00088  -3.13997
   D192      -3.13505  -0.00002  -0.00022   0.00059   0.00037  -3.13467
   D193       0.00600  -0.00001  -0.00007   0.00072   0.00065   0.00664
   D194       0.00042   0.00000  -0.00005   0.00013   0.00008   0.00050
   D195      -3.14156   0.00001   0.00012   0.00029   0.00041  -3.14115
   D196      -3.14062  -0.00002  -0.00020   0.00001  -0.00019  -3.14081
   D197       0.00058   0.00000  -0.00003   0.00017   0.00014   0.00072
   D198      -0.00116   0.00000  -0.00003  -0.00035  -0.00038  -0.00154
   D199       3.14132   0.00000   0.00008  -0.00033  -0.00025   3.14107
   D200       3.14082  -0.00002  -0.00020  -0.00051  -0.00071   3.14011
   D201       0.00012  -0.00001  -0.00009  -0.00049  -0.00058  -0.00046
   D202       0.00019   0.00000   0.00010  -0.00012  -0.00002   0.00017
   D203      -3.13945   0.00000   0.00008   0.00005   0.00013  -3.13933
   D204       3.14089   0.00000  -0.00001  -0.00014  -0.00015   3.14074
   D205       0.00125   0.00000  -0.00003   0.00003   0.00000   0.00125
   D206       0.13917   0.00030   0.00737   0.03243   0.03979   0.17896
   D207      -3.03371  -0.00022   0.00513   0.02208   0.02719  -3.00652
   D208       3.08885   0.00023  -0.00240  -0.01118  -0.01356   3.07528
   D209      -0.08403  -0.00028  -0.00464  -0.02153  -0.02616  -0.11020
   D210       2.98239   0.00045   0.00655   0.01672   0.02325   3.00564
   D211      -0.18734  -0.00001   0.00456   0.00743   0.01201  -0.17533
   D212      -1.59864   0.00008  -0.00068   0.00669   0.00601  -1.59263
   D213       2.61262   0.00011  -0.00053   0.00737   0.00684   2.61946
   D214       0.58043   0.00003  -0.00051   0.00697   0.00646   0.58688
   D215      -0.79387  -0.00008  -0.01794  -0.03769  -0.05564  -0.84951
   D216       2.33137  -0.00006  -0.01646  -0.03974  -0.05620   2.27517
   D217       1.15351  -0.00005  -0.01794  -0.03849  -0.05643   1.09708
   D218      -2.00443  -0.00003  -0.01645  -0.04054  -0.05699  -2.06142
   D219      -2.92685  -0.00006  -0.01773  -0.03777  -0.05549  -2.98234
   D220       0.19840  -0.00004  -0.01624  -0.03981  -0.05605   0.14234
   D221       3.13206  -0.00005  -0.00006  -0.00282  -0.00288   3.12918
   D222      -0.01183   0.00008   0.00161  -0.00055   0.00106  -0.01078
   D223       0.00520  -0.00007  -0.00140  -0.00099  -0.00239   0.00281
   D224      -3.13869   0.00006   0.00026   0.00128   0.00154  -3.13714
   D225      -3.13858   0.00006   0.00048   0.00279   0.00326  -3.13532
   D226      -0.01050   0.00008   0.00170   0.00108   0.00278  -0.00772
   D227       0.00568   0.00001   0.00011   0.00024   0.00035   0.00603
   D228      -3.13382  -0.00011  -0.00141  -0.00182  -0.00323  -3.13705
   D229      -0.01383   0.00006   0.00124   0.00063   0.00187  -0.01196
   D230       3.13378  -0.00008  -0.00136  -0.00209  -0.00345   3.13033
   D231       0.01436  -0.00008  -0.00173  -0.00100  -0.00274   0.01162
   D232      -3.13298   0.00005   0.00075   0.00159   0.00234  -3.13064
   D233      -0.79749  -0.00020  -0.02978  -0.07708  -0.10686  -0.90436
   D234       1.29328  -0.00024  -0.03113  -0.07932  -0.11044   1.18284
   D235      -2.89150   0.00004  -0.03005  -0.06942  -0.09946  -2.99096
   D236      -2.95702  -0.00004  -0.02847  -0.07891  -0.10740  -3.06442
   D237      -0.86625  -0.00008  -0.02982  -0.08115  -0.11097  -0.97722
   D238       1.23216   0.00020  -0.02874  -0.07125  -0.10000   1.13216
   D239       1.25309  -0.00016  -0.02949  -0.07894  -0.10843   1.14466
   D240      -2.93932  -0.00019  -0.03084  -0.08117  -0.11201  -3.05133
   D241      -0.84092   0.00008  -0.02976  -0.07128  -0.10103  -0.94195
   D242       3.09607  -0.00004   0.00073   0.00771   0.00844   3.10451
   D243      -1.10796  -0.00008   0.00054   0.00567   0.00621  -1.10176
   D244       1.01248   0.00002   0.00057   0.00811   0.00868   1.02116
   D245      -0.99702  -0.00007  -0.00090   0.00916   0.00826  -0.98876
   D246       1.08213  -0.00011  -0.00110   0.00713   0.00603   1.08816
   D247      -3.08061  -0.00001  -0.00107   0.00956   0.00850  -3.07211
   D248       1.07212   0.00002   0.00004   0.00898   0.00902   1.08114
   D249      -3.13191  -0.00002  -0.00015   0.00694   0.00678  -3.12513
   D250      -1.01147   0.00007  -0.00012   0.00938   0.00925  -1.00222
   D251       0.00417  -0.00002  -0.00134   0.00044  -0.00089   0.00328
   D252       3.13914  -0.00002  -0.00080   0.00006  -0.00075   3.13839
         Item               Value     Threshold  Converged?
 Maximum Force            0.001514     0.000450     NO 
 RMS     Force            0.000199     0.000300     YES
 Maximum Displacement     0.227330     0.001800     NO 
 RMS     Displacement     0.044027     0.001200     NO 
 Predicted change in Energy=-1.333715D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.097919   -2.775882   -0.470910
      2          6           0       -9.074636   -1.278572   -0.795057
      3          6           0      -10.099777   -0.500925    0.035001
      4          6           0       -7.699119   -0.727471   -0.584918
      5          7           0       -6.891765   -0.270470   -1.513226
      6          6           0       -5.654252    0.172876   -0.979378
      7          6           0       -4.641675    0.707188   -1.954736
      8          7           0       -4.212910    2.099547   -1.679899
      9          6           0       -5.251776    3.127294   -1.960394
     10          6           0       -3.306840    2.412064   -0.631811
     11          8           0       -3.166468    3.561518   -0.231489
     12          7           0       -2.538902    1.345490   -0.078651
     13          6           0       -1.319288    1.731416    0.675838
     14          6           0       -0.101351    1.575081   -0.255953
     15          8           0       -0.027185    0.681987   -1.092470
     16          7           0        0.893218    2.534297   -0.132065
     17          6           0        2.126432    2.464446   -0.961005
     18          6           0        2.505196    3.883141   -1.443943
     19          6           0        2.810377    4.850622   -0.334390
     20          6           0        1.788776    5.651239    0.201384
     21          6           0        2.069630    6.548920    1.234239
     22          6           0        3.369410    6.657867    1.738982
     23          6           0        4.390432    5.867970    1.201788
     24          6           0        4.115385    4.968165    0.168374
     25          6           0        3.273283    1.795173   -0.175386
     26          6           0        2.980096    0.319764    0.121679
     27          8           0        2.449353    0.301206    1.464098
     28          6           0        4.278658   -0.546136    0.159509
     29          6           0        4.858828   -0.724493   -1.252966
     30          6           0        6.229704   -1.342198   -1.224788
     31          6           0        6.394348   -2.698001   -1.545187
     32          6           0        7.668229   -3.270595   -1.528795
     33          6           0        8.783700   -2.496978   -1.191242
     34          6           0        8.620842   -1.146007   -0.868808
     35          6           0        7.349041   -0.566857   -0.884575
     36          7           0        3.976405   -1.840997    0.826435
     37          6           0        3.399026   -2.918889    0.187682
     38          8           0        3.184350   -3.116570   -0.991149
     39          8           0        3.109906   -3.877478    1.170985
     40          6           0        2.331728   -5.027958    0.728906
     41          6           0        0.896931   -4.731456    0.929040
     42          6           0        0.272072   -4.234352    2.043294
     43          7           0       -1.118581   -4.043142    1.921490
     44          6           0       -1.560135   -4.394059    0.735007
     45         16           0       -0.275509   -4.972962   -0.332615
     46          6           0       -1.192439    0.835536    1.942192
     47          6           0       -0.808059   -0.607180    1.612571
     48          6           0       -0.194606    1.458873    2.921012
     49          6           0       -5.525352    0.047807    0.374915
     50         16           0       -6.973256   -0.636042    1.040787
     51          1           0      -10.084392   -3.205585   -0.681517
     52          1           0       -8.364447   -3.326830   -1.072854
     53          1           0       -8.875891   -2.977935    0.583646
     54          1           0       -9.332319   -1.149417   -1.885462
     55          1           0       -9.965196   -0.650622    1.112983
     56          1           0      -10.039488    0.577484   -0.157756
     57          1           0      -11.120723   -0.819272   -0.207992
     58          1           0       -3.749507    0.035908   -1.982572
     59          1           0       -5.064628    0.683543   -2.993653
     60          1           0       -5.410811    3.181356   -3.050198
     61          1           0       -4.909070    4.122317   -1.614322
     62          1           0       -6.211531    2.902861   -1.468365
     63          1           0       -2.413483    0.490269   -0.636047
     64          1           0       -1.432823    2.806536    1.005963
     65          1           0        0.896908    3.203266    0.634870
     66          1           0        1.891100    1.836832   -1.870618
     67          1           0        1.674453    4.276746   -2.071949
     68          1           0        3.368473    3.806998   -2.136905
     69          1           0        0.775606    5.582508   -0.194686
     70          1           0        1.272608    7.168027    1.644878
     71          1           0        3.585704    7.357368    2.543609
     72          1           0        5.404916    5.954830    1.588232
     73          1           0        4.918022    4.363893   -0.247800
     74          1           0        3.437101    2.323347    0.791092
     75          1           0        4.219095    1.909278   -0.738349
     76          1           0        2.226966   -0.110786   -0.579443
     77          1           0        1.653554   -0.296730    1.509091
     78          1           0        5.034432   -0.037010    0.819937
     79          1           0        4.167177   -1.345873   -1.873538
     80          1           0        4.897820    0.258543   -1.767748
     81          1           0        5.521430   -3.302549   -1.802342
     82          1           0        7.791902   -4.322931   -1.779594
     83          1           0        9.774613   -2.944884   -1.179557
     84          1           0        9.487401   -0.542255   -0.605369
     85          1           0        7.231635    0.484279   -0.634731
     86          1           0        4.017343   -1.836304    1.847580
     87          1           0        2.700346   -5.821528    1.413321
     88          1           0        2.598214   -5.272908   -0.320706
     89          1           0        0.741773   -3.979100    2.989345
     90          1           0       -2.592741   -4.346980    0.409759
     91          1           0       -2.205745    0.824296    2.425910
     92          1           0       -1.466678   -1.045172    0.853414
     93          1           0        0.216996   -0.690997    1.215806
     94          1           0       -0.874449   -1.249779    2.501585
     95          1           0       -0.120515    0.859671    3.837147
     96          1           0        0.823119    1.518406    2.505885
     97          1           0       -0.491547    2.468649    3.223345
     98          1           0       -4.683755    0.319341    0.994508
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0634008      0.0293122      0.0218251
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3549.5649211153 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.247267158805     A.U. after   18 cycles
             Convg  =    0.5811D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016520   -0.000067922   -0.000032956
      2        6          -0.000049193    0.000022410    0.000035304
      3        6           0.000025858   -0.000038550    0.000097637
      4        6          -0.000095256    0.000302130   -0.000316986
      5        7           0.000294164    0.000117117    0.000085718
      6        6          -0.000149475   -0.000563909    0.000246564
      7        6           0.000006094    0.000042356   -0.000155633
      8        7          -0.000555004   -0.000740871    0.000492138
      9        6          -0.000157199    0.000179851   -0.000052748
     10        6           0.000131934    0.001134980   -0.000287923
     11        8           0.000020796   -0.000331969    0.000146113
     12        7           0.000082581   -0.000420271    0.000097999
     13        6           0.000353164    0.000338222   -0.000394868
     14        6           0.000044279   -0.000448205    0.000163040
     15        8          -0.000043417    0.000070605   -0.000082519
     16        7          -0.000076170    0.000610728   -0.000310812
     17        6          -0.000207132    0.000063396    0.000178920
     18        6           0.000065768    0.000074758    0.000005412
     19        6           0.000070992   -0.000137120   -0.000010944
     20        6          -0.000030719    0.000119662   -0.000034545
     21        6           0.000010474   -0.000095257    0.000014021
     22        6           0.000072324    0.000015729   -0.000006541
     23        6          -0.000052764    0.000044347   -0.000007799
     24        6          -0.000021120   -0.000048036   -0.000004279
     25        6           0.000006048    0.000170401   -0.000223906
     26        6           0.000287191   -0.000147252   -0.000417350
     27        8          -0.000059243    0.000921663    0.001131676
     28        6           0.000314339   -0.000238757    0.000073582
     29        6          -0.000211790   -0.000225969   -0.000082908
     30        6           0.000049334   -0.000361150   -0.000060037
     31        6           0.000076245    0.000167445    0.000146806
     32        6          -0.000039098    0.000030796    0.000026625
     33        6          -0.000001959   -0.000009856    0.000002782
     34        6           0.000035023    0.000016978   -0.000010976
     35        6          -0.000062010    0.000072130   -0.000059308
     36        7          -0.000632963   -0.000151266   -0.000307448
     37        6           0.000518928    0.000649513    0.000342927
     38        8          -0.000118829   -0.000296515    0.000044714
     39        8          -0.000081712    0.000108001   -0.000570480
     40        6          -0.000092363   -0.000002135   -0.000090721
     41        6           0.000021900   -0.000123113    0.000175829
     42        6          -0.000029912   -0.000063816    0.000072092
     43        7           0.000037377    0.000145386   -0.000123857
     44        6           0.000266807   -0.000119998    0.000289280
     45       16          -0.000183175    0.000094438   -0.000279564
     46        6          -0.000216566   -0.000029355    0.000298299
     47        6          -0.000884016   -0.000310409    0.000008195
     48        6          -0.000157117    0.000055488   -0.000291800
     49        6          -0.000424505    0.000193799   -0.000566101
     50       16           0.000169504   -0.000117570    0.000368893
     51        1          -0.000003395    0.000059375   -0.000018986
     52        1          -0.000010716   -0.000000752    0.000004414
     53        1           0.000071814   -0.000006752    0.000001329
     54        1           0.000007248    0.000011387    0.000024654
     55        1          -0.000036933   -0.000023864   -0.000034343
     56        1           0.000020115   -0.000007485   -0.000045433
     57        1          -0.000008728    0.000014172   -0.000007904
     58        1           0.000073889   -0.000078411   -0.000050982
     59        1           0.000058233    0.000104575   -0.000022673
     60        1           0.000096279   -0.000020456    0.000078431
     61        1          -0.000047960   -0.000025179    0.000012618
     62        1           0.000125937    0.000010893    0.000054531
     63        1          -0.000138951    0.000094491   -0.000080806
     64        1           0.000079591    0.000065216    0.000028403
     65        1           0.000092046   -0.000223376    0.000031437
     66        1           0.000080650   -0.000171237    0.000072918
     67        1          -0.000023689   -0.000073189    0.000053679
     68        1          -0.000031250   -0.000005679   -0.000022178
     69        1          -0.000006896   -0.000023239    0.000008281
     70        1          -0.000005253    0.000004298   -0.000001807
     71        1          -0.000002421   -0.000022522   -0.000000913
     72        1          -0.000003921   -0.000021002    0.000002735
     73        1          -0.000021340    0.000009590    0.000004860
     74        1           0.000090741    0.000085763    0.000083255
     75        1           0.000159286    0.000088647    0.000092142
     76        1          -0.000103885    0.000109245    0.000086111
     77        1           0.000345636   -0.000440141   -0.000865724
     78        1          -0.000154697   -0.000004314    0.000154958
     79        1           0.000092557    0.000188470   -0.000104495
     80        1           0.000112733    0.000202923    0.000186741
     81        1          -0.000059399   -0.000022035   -0.000016759
     82        1           0.000002896   -0.000020430    0.000002697
     83        1          -0.000015930   -0.000002096    0.000000257
     84        1          -0.000015287   -0.000005368    0.000011152
     85        1           0.000031203    0.000030180   -0.000001146
     86        1           0.000145230   -0.000225503    0.000213425
     87        1          -0.000040439   -0.000098873    0.000113088
     88        1           0.000019863    0.000018919    0.000017319
     89        1           0.000035451   -0.000033883   -0.000018759
     90        1          -0.000048288    0.000002166   -0.000089007
     91        1          -0.000009196   -0.000139306    0.000041703
     92        1           0.000333446    0.000227352    0.000237711
     93        1           0.000190892   -0.000548978    0.000135581
     94        1           0.000060298    0.000347163   -0.000318915
     95        1           0.000162805   -0.000095359   -0.000020946
     96        1          -0.000111570    0.000135768    0.000059921
     97        1           0.000003007   -0.000022679    0.000035887
     98        1           0.000096401   -0.000121541    0.000109983
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001134980 RMS     0.000222580

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001994222 RMS     0.000255769
 Search for a local minimum.
 Step number  29 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   28   29
 DE= -1.20D-04 DEPred=-1.33D-04 R= 9.02D-01
 SS=  1.41D+00  RLast= 3.89D-01 DXNew= 2.9263D+00 1.1680D+00
 Trust test= 9.02D-01 RLast= 3.89D-01 DXMaxT set to 1.74D+00
     Eigenvalues ---    0.00059   0.00133   0.00212   0.00290   0.00328
     Eigenvalues ---    0.00427   0.00504   0.00587   0.00606   0.00661
     Eigenvalues ---    0.00722   0.00802   0.00915   0.00928   0.00950
     Eigenvalues ---    0.00970   0.01073   0.01080   0.01187   0.01237
     Eigenvalues ---    0.01274   0.01301   0.01387   0.01405   0.01432
     Eigenvalues ---    0.01441   0.01482   0.01569   0.01612   0.01667
     Eigenvalues ---    0.01725   0.01757   0.01843   0.01927   0.01988
     Eigenvalues ---    0.02080   0.02168   0.02194   0.02203   0.02211
     Eigenvalues ---    0.02220   0.02257   0.02268   0.02284   0.02290
     Eigenvalues ---    0.02328   0.02373   0.02406   0.02408   0.02414
     Eigenvalues ---    0.02448   0.02482   0.02485   0.02509   0.02527
     Eigenvalues ---    0.02528   0.02649   0.02699   0.02760   0.03289
     Eigenvalues ---    0.03323   0.03853   0.04034   0.04137   0.04198
     Eigenvalues ---    0.04298   0.04432   0.04485   0.04689   0.04816
     Eigenvalues ---    0.04933   0.04959   0.05036   0.05078   0.05202
     Eigenvalues ---    0.05218   0.05307   0.05350   0.05399   0.05445
     Eigenvalues ---    0.05537   0.05588   0.05676   0.05727   0.05774
     Eigenvalues ---    0.05779   0.05847   0.05914   0.05984   0.06008
     Eigenvalues ---    0.06236   0.06361   0.06495   0.06647   0.06907
     Eigenvalues ---    0.07134   0.07476   0.07525   0.07983   0.08055
     Eigenvalues ---    0.08625   0.09166   0.09607   0.09829   0.10330
     Eigenvalues ---    0.11923   0.12908   0.12930   0.13105   0.13362
     Eigenvalues ---    0.13723   0.13895   0.14298   0.15450   0.15685
     Eigenvalues ---    0.15740   0.15774   0.15933   0.15951   0.15981
     Eigenvalues ---    0.15997   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16006   0.16007
     Eigenvalues ---    0.16018   0.16025   0.16042   0.16047   0.16066
     Eigenvalues ---    0.16074   0.16133   0.16226   0.16379   0.16899
     Eigenvalues ---    0.17063   0.17540   0.17900   0.18000   0.18156
     Eigenvalues ---    0.18601   0.19121   0.19379   0.20332   0.21548
     Eigenvalues ---    0.21631   0.21781   0.21995   0.21999   0.22000
     Eigenvalues ---    0.22001   0.22052   0.22136   0.22339   0.22596
     Eigenvalues ---    0.22817   0.22977   0.23448   0.23487   0.23655
     Eigenvalues ---    0.23728   0.23947   0.24239   0.24399   0.24729
     Eigenvalues ---    0.24916   0.24972   0.24996   0.25022   0.25076
     Eigenvalues ---    0.25232   0.25459   0.25524   0.26662   0.29152
     Eigenvalues ---    0.29396   0.29595   0.29757   0.29863   0.30112
     Eigenvalues ---    0.30213   0.30296   0.30376   0.30708   0.30919
     Eigenvalues ---    0.31199   0.31336   0.31433   0.31447   0.31507
     Eigenvalues ---    0.31590   0.31668   0.31869   0.31978   0.32035
     Eigenvalues ---    0.32280   0.32418   0.32529   0.32586   0.32667
     Eigenvalues ---    0.32774   0.32850   0.32861   0.32926   0.33012
     Eigenvalues ---    0.33022   0.33061   0.33142   0.33177   0.33244
     Eigenvalues ---    0.33336   0.33453   0.33555   0.33573   0.33671
     Eigenvalues ---    0.33709   0.33896   0.33902   0.33980   0.33993
     Eigenvalues ---    0.34168   0.34236   0.34311   0.34343   0.34406
     Eigenvalues ---    0.34493   0.34589   0.34679   0.34848   0.35264
     Eigenvalues ---    0.36131   0.36232   0.36284   0.36336   0.36375
     Eigenvalues ---    0.36632   0.36810   0.36955   0.37154   0.37622
     Eigenvalues ---    0.38537   0.38996   0.39256   0.40266   0.41153
     Eigenvalues ---    0.41316   0.42445   0.42693   0.42724   0.43257
     Eigenvalues ---    0.43505   0.44032   0.44343   0.45135   0.45920
     Eigenvalues ---    0.47536   0.48045   0.48360   0.48422   0.48610
     Eigenvalues ---    0.48877   0.49055   0.49548   0.49983   0.50581
     Eigenvalues ---    0.50957   0.51233   0.51390   0.56329   0.57521
     Eigenvalues ---    0.58638   0.59484   0.62643   0.65179   0.76055
     Eigenvalues ---    0.78441   0.83712   1.296591000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    29   28   27   26   25
 RFO step:  Lambda=-6.19123996D-05.
 DIIS coeffs:      0.75643      0.41951     -0.60441      0.12467      0.30380
 Iteration  1 RMS(Cart)=  0.09338186 RMS(Int)=  0.00049066
 Iteration  2 RMS(Cart)=  0.00154845 RMS(Int)=  0.00010362
 Iteration  3 RMS(Cart)=  0.00000048 RMS(Int)=  0.00010362
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89538  -0.00006   0.00008  -0.00024  -0.00016   2.89523
    R2        2.07193   0.00004  -0.00003   0.00001  -0.00002   2.07191
    R3        2.07342   0.00001  -0.00013  -0.00003  -0.00016   2.07325
    R4        2.07200   0.00000   0.00009   0.00005   0.00014   2.07214
    R5        2.89359   0.00003  -0.00004   0.00012   0.00008   2.89368
    R6        2.82823  -0.00002   0.00008  -0.00017  -0.00009   2.82814
    R7        2.13134  -0.00001   0.00001  -0.00003  -0.00002   2.13132
    R8        2.07230  -0.00002  -0.00002  -0.00002  -0.00004   2.07226
    R9        2.07333   0.00004   0.00005   0.00014   0.00019   2.07352
   R10        2.07244   0.00000  -0.00003  -0.00005  -0.00008   2.07236
   R11        2.48010  -0.00018  -0.00025  -0.00004  -0.00029   2.47981
   R12        3.36889   0.00025   0.00046   0.00006   0.00052   3.36941
   R13        2.68114   0.00026   0.00049   0.00012   0.00061   2.68175
   R14        2.84222  -0.00013   0.00076  -0.00021   0.00055   2.84277
   R15        2.58165  -0.00030  -0.00041  -0.00023  -0.00065   2.58101
   R16        2.80167  -0.00028  -0.00059  -0.00004  -0.00063   2.80104
   R17        2.11054  -0.00010   0.00011  -0.00024  -0.00013   2.11041
   R18        2.12020   0.00010  -0.00006   0.00040   0.00034   2.12054
   R19        2.81194  -0.00005  -0.00042  -0.00014  -0.00055   2.81138
   R20        2.68389  -0.00094  -0.00129   0.00031  -0.00099   2.68290
   R21        2.08375  -0.00008  -0.00016  -0.00032  -0.00049   2.08326
   R22        2.09349   0.00002   0.00033  -0.00002   0.00031   2.09380
   R23        2.08178   0.00014   0.00029   0.00022   0.00051   2.08229
   R24        2.31536   0.00025   0.00025   0.00041   0.00066   2.31602
   R25        2.69463  -0.00036  -0.00195  -0.00067  -0.00262   2.69201
   R26        2.80651  -0.00049  -0.00200   0.00066  -0.00134   2.80517
   R27        1.94359   0.00014  -0.00032   0.00036   0.00004   1.94364
   R28        2.91290  -0.00051   0.00003   0.00013   0.00016   2.91306
   R29        2.94115   0.00028   0.00090   0.00072   0.00162   2.94276
   R30        2.13611  -0.00003  -0.00058   0.00039  -0.00019   2.13591
   R31        2.31665   0.00009   0.00021   0.00018   0.00039   2.31704
   R32        2.62162  -0.00074   0.00017  -0.00007   0.00010   2.62172
   R33        2.81108  -0.00060   0.00017   0.00037   0.00054   2.81163
   R34        1.92318   0.00024   0.00043   0.00038   0.00082   1.92400
   R35        2.92107   0.00008  -0.00052  -0.00028  -0.00079   2.92028
   R36        2.91557  -0.00068   0.00032   0.00157   0.00189   2.91746
   R37        2.13520  -0.00019   0.00007   0.00009   0.00016   2.13536
   R38        2.84105   0.00015  -0.00002   0.00054   0.00052   2.84157
   R39        2.10384  -0.00008  -0.00021  -0.00028  -0.00048   2.10336
   R40        2.09687   0.00004   0.00011   0.00012   0.00023   2.09709
   R41        2.65351  -0.00002  -0.00009   0.00004  -0.00005   2.65346
   R42        2.65211   0.00006  -0.00003   0.00003   0.00000   2.65212
   R43        2.63987   0.00008   0.00007  -0.00002   0.00005   2.63993
   R44        2.05981  -0.00002  -0.00006  -0.00006  -0.00012   2.05969
   R45        2.64296  -0.00002  -0.00006   0.00004  -0.00002   2.64294
   R46        2.05899  -0.00001  -0.00003  -0.00005  -0.00008   2.05891
   R47        2.64224   0.00006   0.00006  -0.00004   0.00002   2.64226
   R48        2.05582   0.00002   0.00000   0.00002   0.00002   2.05584
   R49        2.64105   0.00000  -0.00007  -0.00006  -0.00013   2.64092
   R50        2.05803   0.00002   0.00001  -0.00002  -0.00001   2.05803
   R51        2.05500   0.00002   0.00008   0.00001   0.00009   2.05510
   R52        2.89753   0.00007   0.00137   0.00059   0.00197   2.89950
   R53        2.10421  -0.00003   0.00022  -0.00086  -0.00064   2.10357
   R54        2.09112  -0.00019   0.00048  -0.00118  -0.00070   2.09042
   R55        2.72810   0.00014   0.00013  -0.00008   0.00006   2.72816
   R56        2.95032   0.00003  -0.00125  -0.00073  -0.00198   2.94834
   R57        2.10783   0.00004   0.00031   0.00017   0.00047   2.10830
   R58        1.88296  -0.00050  -0.00049  -0.00209  -0.00258   1.88038
   R59        2.90520   0.00001   0.00129   0.00027   0.00156   2.90676
   R60        2.81107  -0.00024   0.00064  -0.00043   0.00022   2.81128
   R61        2.12673   0.00008   0.00035   0.00085   0.00120   2.12793
   R62        2.84192   0.00002  -0.00034  -0.00041  -0.00075   2.84117
   R63        2.11244   0.00021   0.00050   0.00084   0.00134   2.11378
   R64        2.09826  -0.00023   0.00036  -0.00085  -0.00049   2.09777
   R65        2.65099   0.00019   0.00006   0.00003   0.00009   2.65107
   R66        2.65223  -0.00007   0.00016  -0.00012   0.00004   2.65228
   R67        2.63947   0.00004   0.00014   0.00022   0.00037   2.63984
   R68        2.06456  -0.00005  -0.00064  -0.00061  -0.00125   2.06331
   R69        2.64339   0.00001  -0.00008  -0.00016  -0.00024   2.64315
   R70        2.05764  -0.00002  -0.00001  -0.00008  -0.00008   2.05755
   R71        2.64265   0.00001   0.00008   0.00017   0.00025   2.64290
   R72        2.05508   0.00002   0.00000   0.00002   0.00002   2.05510
   R73        2.64098   0.00000  -0.00015  -0.00028  -0.00042   2.64056
   R74        2.05698   0.00001   0.00006   0.00003   0.00008   2.05706
   R75        2.05372  -0.00001   0.00011  -0.00005   0.00006   2.05378
   R76        2.60702   0.00027   0.00022   0.00150   0.00172   2.60874
   R77        1.93125   0.00033  -0.00079   0.00125   0.00046   1.93171
   R78        2.29491  -0.00025  -0.00012   0.00042   0.00030   2.29521
   R79        2.65193  -0.00052  -0.00026  -0.00156  -0.00182   2.65011
   R80        2.75446  -0.00015  -0.00042   0.00021  -0.00022   2.75425
   R81        2.79437   0.00009  -0.00020  -0.00008  -0.00028   2.79410
   R82        2.09926   0.00012   0.00010  -0.00016  -0.00006   2.09920
   R83        2.09811  -0.00001   0.00024  -0.00017   0.00008   2.09818
   R84        2.59046   0.00009  -0.00062   0.00042  -0.00020   2.59026
   R85        3.28656   0.00010   0.00071  -0.00024   0.00046   3.28702
   R86        2.66265   0.00012   0.00038  -0.00025   0.00013   2.66277
   R87        2.05345   0.00002  -0.00007   0.00013   0.00006   2.05351
   R88        2.48257  -0.00010  -0.00064   0.00017  -0.00047   2.48210
   R89        3.34071   0.00019   0.00132  -0.00036   0.00096   3.34167
   R90        2.04778  -0.00002  -0.00009  -0.00020  -0.00029   2.04749
   R91        2.88938   0.00000   0.00062   0.00109   0.00171   2.89109
   R92        2.89215  -0.00007   0.00039  -0.00021   0.00018   2.89233
   R93        2.12197   0.00000   0.00039   0.00041   0.00080   2.12276
   R94        2.07176   0.00025   0.00196   0.00064   0.00260   2.07436
   R95        2.08315  -0.00018   0.00112  -0.00211  -0.00099   2.08216
   R96        2.07671  -0.00034   0.00010  -0.00077  -0.00066   2.07604
   R97        2.07340  -0.00001   0.00040   0.00011   0.00051   2.07391
   R98        2.08011   0.00006   0.00020  -0.00016   0.00005   2.08015
   R99        2.06942   0.00000   0.00004   0.00001   0.00005   2.06948
   R100       3.27717   0.00029   0.00078   0.00032   0.00110   3.27827
   R101       2.04048   0.00008   0.00005   0.00008   0.00013   2.04061
    A1        1.93482   0.00000  -0.00014  -0.00002  -0.00016   1.93466
    A2        1.94388   0.00001   0.00056  -0.00010   0.00046   1.94434
    A3        1.96112  -0.00003  -0.00021  -0.00011  -0.00031   1.96081
    A4        1.87473  -0.00002  -0.00024   0.00002  -0.00022   1.87452
    A5        1.86995   0.00000   0.00006   0.00002   0.00008   1.87003
    A6        1.87523   0.00003  -0.00006   0.00020   0.00014   1.87537
    A7        1.95136  -0.00001  -0.00001   0.00005   0.00004   1.95140
    A8        1.92209   0.00004   0.00037   0.00025   0.00062   1.92271
    A9        1.88912  -0.00002   0.00028   0.00053   0.00082   1.88993
   A10        1.93071  -0.00004  -0.00035  -0.00094  -0.00129   1.92942
   A11        1.88911   0.00002  -0.00030   0.00023  -0.00007   1.88904
   A12        1.87922   0.00000   0.00001  -0.00010  -0.00009   1.87913
   A13        1.96209  -0.00002   0.00029   0.00000   0.00029   1.96238
   A14        1.94674   0.00000  -0.00033  -0.00047  -0.00080   1.94595
   A15        1.93448  -0.00002  -0.00003   0.00010   0.00007   1.93455
   A16        1.87563   0.00000  -0.00031  -0.00003  -0.00034   1.87529
   A17        1.86756   0.00004   0.00010   0.00030   0.00040   1.86796
   A18        1.87292   0.00000   0.00028   0.00013   0.00041   1.87333
   A19        2.20718   0.00007   0.00047  -0.00012   0.00035   2.20753
   A20        2.11898  -0.00004  -0.00046   0.00019  -0.00028   2.11870
   A21        1.95702  -0.00004  -0.00001  -0.00005  -0.00007   1.95696
   A22        1.95976   0.00004   0.00021   0.00009   0.00030   1.96006
   A23        2.04229  -0.00005  -0.00114  -0.00114  -0.00227   2.04002
   A24        2.01163   0.00006  -0.00014  -0.00001  -0.00015   2.01148
   A25        2.22921  -0.00001   0.00128   0.00114   0.00242   2.23163
   A26        1.99119  -0.00028   0.00020   0.00097   0.00117   1.99236
   A27        1.91818   0.00006   0.00084   0.00023   0.00107   1.91925
   A28        1.91688   0.00008  -0.00156  -0.00078  -0.00234   1.91454
   A29        1.91566   0.00000   0.00007  -0.00115  -0.00108   1.91458
   A30        1.87598   0.00017   0.00076   0.00075   0.00152   1.87750
   A31        1.83941  -0.00001  -0.00037  -0.00011  -0.00048   1.83892
   A32        1.99523  -0.00003   0.00039  -0.00296  -0.00250   1.99273
   A33        2.12699  -0.00010   0.00219  -0.00268  -0.00045   2.12654
   A34        2.01809   0.00009   0.00174  -0.00261  -0.00082   2.01727
   A35        1.89743   0.00011   0.00043   0.00025   0.00068   1.89811
   A36        1.92356  -0.00009   0.00042  -0.00117  -0.00076   1.92281
   A37        1.96421   0.00002  -0.00042   0.00082   0.00039   1.96460
   A38        1.88528   0.00002   0.00013   0.00037   0.00050   1.88577
   A39        1.90261  -0.00006  -0.00018  -0.00005  -0.00022   1.90239
   A40        1.88911   0.00002  -0.00037  -0.00022  -0.00058   1.88853
   A41        2.11839   0.00032   0.00010   0.00076   0.00088   2.11928
   A42        2.05473  -0.00010   0.00071  -0.00001   0.00072   2.05545
   A43        2.10979  -0.00022  -0.00087  -0.00084  -0.00169   2.10810
   A44        2.03194  -0.00003   0.00150   0.00091   0.00235   2.03429
   A45        2.06849   0.00005   0.00333  -0.00021   0.00305   2.07154
   A46        1.97279  -0.00007   0.00278  -0.00122   0.00149   1.97428
   A47        1.89168  -0.00008  -0.00062  -0.00026  -0.00087   1.89081
   A48        1.90785   0.00077  -0.00017  -0.00051  -0.00067   1.90718
   A49        1.88919  -0.00010   0.00002   0.00246   0.00248   1.89167
   A50        1.94880  -0.00082  -0.00106   0.00098  -0.00008   1.94872
   A51        1.93089   0.00046   0.00106  -0.00113  -0.00008   1.93082
   A52        1.89445  -0.00020   0.00078  -0.00147  -0.00070   1.89376
   A53        2.13432  -0.00006  -0.00093  -0.00017  -0.00111   2.13321
   A54        2.02901   0.00024   0.00072   0.00127   0.00199   2.03099
   A55        2.11914  -0.00015   0.00035  -0.00114  -0.00080   2.11834
   A56        2.10842  -0.00057   0.00043  -0.00030   0.00013   2.10855
   A57        2.12280   0.00016  -0.00096  -0.00023  -0.00119   2.12161
   A58        2.03510   0.00024  -0.00030  -0.00046  -0.00076   2.03434
   A59        1.91149   0.00058   0.00038  -0.00009   0.00029   1.91178
   A60        1.93142  -0.00179  -0.00060   0.00078   0.00018   1.93160
   A61        1.87761   0.00043   0.00007   0.00044   0.00051   1.87812
   A62        1.95528   0.00124   0.00036  -0.00080  -0.00044   1.95484
   A63        1.88527  -0.00035   0.00008  -0.00045  -0.00038   1.88490
   A64        1.90053  -0.00010  -0.00029   0.00014  -0.00015   1.90038
   A65        1.99301   0.00016   0.00002  -0.00012  -0.00010   1.99291
   A66        1.89429  -0.00003   0.00024   0.00129   0.00153   1.89582
   A67        1.89945  -0.00004  -0.00022  -0.00090  -0.00112   1.89833
   A68        1.91800  -0.00008   0.00033  -0.00015   0.00018   1.91818
   A69        1.92531  -0.00006  -0.00042  -0.00021  -0.00064   1.92467
   A70        1.82608   0.00003   0.00007   0.00012   0.00019   1.82627
   A71        2.09535  -0.00002  -0.00001   0.00037   0.00036   2.09571
   A72        2.10254   0.00002   0.00000  -0.00030  -0.00030   2.10225
   A73        2.08527   0.00001   0.00001  -0.00008  -0.00006   2.08521
   A74        2.09697   0.00000   0.00003   0.00005   0.00008   2.09705
   A75        2.09632   0.00001   0.00006  -0.00008  -0.00003   2.09629
   A76        2.08984  -0.00001  -0.00008   0.00002  -0.00006   2.08978
   A77        2.09871   0.00000  -0.00005  -0.00005  -0.00010   2.09860
   A78        2.09061   0.00000   0.00000   0.00007   0.00007   2.09068
   A79        2.09387   0.00000   0.00005  -0.00002   0.00003   2.09390
   A80        2.08976   0.00000   0.00002   0.00002   0.00004   2.08980
   A81        2.09646   0.00000  -0.00003  -0.00009  -0.00011   2.09634
   A82        2.09696  -0.00001   0.00000   0.00006   0.00007   2.09703
   A83        2.09913   0.00000  -0.00001   0.00000  -0.00001   2.09912
   A84        2.09305  -0.00001  -0.00008  -0.00010  -0.00017   2.09288
   A85        2.09100   0.00001   0.00009   0.00010   0.00019   2.09118
   A86        2.09649  -0.00001   0.00001   0.00005   0.00005   2.09654
   A87        2.09749   0.00000  -0.00004   0.00003   0.00000   2.09749
   A88        2.08919   0.00000   0.00003  -0.00008  -0.00004   2.08914
   A89        1.95404  -0.00199  -0.00066   0.00191   0.00126   1.95529
   A90        1.92363   0.00032  -0.00028   0.00008  -0.00020   1.92343
   A91        1.90875   0.00090   0.00020  -0.00015   0.00006   1.90881
   A92        1.89272   0.00065  -0.00005  -0.00012  -0.00017   1.89255
   A93        1.94037   0.00050   0.00037  -0.00193  -0.00155   1.93882
   A94        1.84099  -0.00026   0.00047   0.00009   0.00056   1.84154
   A95        1.83674   0.00023  -0.00057   0.00414   0.00355   1.84029
   A96        1.95987   0.00027   0.00175  -0.00060   0.00116   1.96103
   A97        1.95924  -0.00029   0.00084  -0.00063   0.00021   1.95945
   A98        1.85055  -0.00008  -0.00208  -0.00300  -0.00509   1.84547
   A99        1.90848  -0.00020  -0.00012   0.00034   0.00023   1.90871
   A100       1.94201   0.00007  -0.00010  -0.00013  -0.00021   1.94180
   A101       1.92125  -0.00015  -0.00008   0.00141   0.00132   1.92257
   A102       1.93474   0.00013   0.00273  -0.00096   0.00176   1.93650
   A103       1.90143  -0.00012  -0.00092   0.00107   0.00014   1.90157
   A104       1.89851   0.00008  -0.00279   0.00234  -0.00044   1.89806
   A105       1.96883  -0.00011  -0.00042  -0.00309  -0.00354   1.96530
   A106       1.91581  -0.00002   0.00087   0.00178   0.00266   1.91847
   A107       1.84122   0.00004   0.00027  -0.00093  -0.00064   1.84058
   A108       1.95459  -0.00018  -0.00015  -0.00163  -0.00178   1.95281
   A109       1.91882   0.00000  -0.00006  -0.00072  -0.00078   1.91804
   A110       1.91399   0.00008   0.00021   0.00284   0.00305   1.91704
   A111       1.92420   0.00011   0.00056  -0.00055   0.00001   1.92421
   A112       1.91805   0.00010   0.00062   0.00227   0.00288   1.92094
   A113       1.83018  -0.00010  -0.00124  -0.00220  -0.00343   1.82674
   A114       2.09402  -0.00006  -0.00003  -0.00087  -0.00091   2.09311
   A115       2.09975   0.00006   0.00022   0.00079   0.00101   2.10076
   A116       2.08940   0.00000  -0.00019   0.00009  -0.00009   2.08931
   A117       2.09504  -0.00003   0.00009  -0.00004   0.00005   2.09510
   A118       2.08838   0.00005   0.00050   0.00033   0.00083   2.08921
   A119       2.09975  -0.00002  -0.00059  -0.00029  -0.00088   2.09887
   A120       2.09833  -0.00001  -0.00004  -0.00013  -0.00017   2.09816
   A121       2.09103   0.00001   0.00009   0.00013   0.00022   2.09125
   A122       2.09383   0.00000  -0.00005   0.00000  -0.00005   2.09378
   A123       2.09099   0.00001   0.00001   0.00006   0.00008   2.09107
   A124       2.09603   0.00000  -0.00002  -0.00001  -0.00004   2.09600
   A125       2.09616  -0.00001   0.00001  -0.00005  -0.00004   2.09612
   A126       2.09869   0.00002   0.00000   0.00005   0.00005   2.09874
   A127       2.09316  -0.00003  -0.00005  -0.00015  -0.00020   2.09296
   A128       2.09133   0.00000   0.00005   0.00010   0.00015   2.09148
   A129       2.09391   0.00001   0.00012  -0.00004   0.00008   2.09399
   A130       2.09888  -0.00005  -0.00032  -0.00048  -0.00079   2.09809
   A131       2.09039   0.00004   0.00019   0.00051   0.00071   2.09110
   A132       2.16225  -0.00037  -0.00134  -0.00307  -0.00306   2.15919
   A133       2.02176   0.00012   0.00365  -0.00269   0.00230   2.02407
   A134       2.07486   0.00021   0.00129  -0.00158   0.00111   2.07596
   A135       2.27918  -0.00019  -0.00112  -0.00132  -0.00245   2.27673
   A136       1.87078  -0.00001   0.00102  -0.00020   0.00082   1.87160
   A137       2.13240   0.00020   0.00014   0.00132   0.00146   2.13386
   A138       2.02264   0.00014  -0.00064   0.00241   0.00177   2.02441
   A139       1.89516  -0.00002   0.00261  -0.00067   0.00194   1.89710
   A140       1.77198  -0.00002  -0.00075  -0.00027  -0.00103   1.77096
   A141       1.90998   0.00000  -0.00111  -0.00006  -0.00117   1.90881
   A142       1.96256   0.00008  -0.00063   0.00042  -0.00021   1.96235
   A143       1.98786  -0.00007  -0.00128  -0.00031  -0.00159   1.98627
   A144       1.92324   0.00002   0.00125   0.00085   0.00209   1.92533
   A145       2.24595   0.00025   0.00124   0.00030   0.00155   2.24750
   A146       2.12714  -0.00026  -0.00128  -0.00038  -0.00166   2.12548
   A147       1.90999   0.00001   0.00008  -0.00001   0.00008   1.91007
   A148       2.01400  -0.00005   0.00009  -0.00010  -0.00001   2.01399
   A149       2.20909   0.00006  -0.00003   0.00011   0.00008   2.20917
   A150       2.06009  -0.00001  -0.00006  -0.00001  -0.00007   2.06002
   A151       1.95364   0.00007   0.00035  -0.00007   0.00028   1.95392
   A152       1.96997  -0.00001  -0.00025   0.00011  -0.00014   1.96983
   A153       2.18922   0.00008   0.00074  -0.00018   0.00055   2.18977
   A154       2.12400  -0.00006  -0.00048   0.00007  -0.00041   2.12358
   A155       1.57710  -0.00001  -0.00024   0.00002  -0.00022   1.57687
   A156       1.96949   0.00032   0.00073   0.00037   0.00109   1.97059
   A157       1.91673  -0.00023  -0.00072  -0.00099  -0.00171   1.91502
   A158       1.85742  -0.00005  -0.00133  -0.00061  -0.00193   1.85549
   A159       1.93722  -0.00026   0.00108   0.00195   0.00303   1.94025
   A160       1.88628   0.00013   0.00032  -0.00018   0.00014   1.88642
   A161       1.89328   0.00010  -0.00021  -0.00069  -0.00089   1.89238
   A162       1.95543   0.00005   0.00268  -0.00144   0.00125   1.95667
   A163       1.96395  -0.00053  -0.00098  -0.00089  -0.00187   1.96208
   A164       1.94138   0.00029  -0.00008   0.00318   0.00310   1.94448
   A165       1.85357   0.00044   0.00246   0.00277   0.00524   1.85881
   A166       1.86531  -0.00029  -0.00326  -0.00651  -0.00977   1.85554
   A167       1.87851   0.00006  -0.00100   0.00272   0.00173   1.88024
   A168       1.93437   0.00005  -0.00010   0.00048   0.00037   1.93475
   A169       1.96453  -0.00015  -0.00031   0.00043   0.00012   1.96465
   A170       1.95556   0.00006   0.00021  -0.00013   0.00008   1.95563
   A171       1.85667   0.00005  -0.00014  -0.00154  -0.00168   1.85500
   A172       1.86645  -0.00010  -0.00048  -0.00106  -0.00155   1.86490
   A173       1.88068   0.00009   0.00082   0.00171   0.00253   1.88321
   A174       1.91554  -0.00002   0.00016   0.00000   0.00016   1.91570
   A175       2.23872   0.00017   0.00138   0.00088   0.00226   2.24098
   A176       2.12891  -0.00015  -0.00153  -0.00090  -0.00242   2.12648
   A177       1.58082  -0.00004  -0.00021  -0.00004  -0.00025   1.58057
    D1        1.05035   0.00004   0.01709  -0.00040   0.01669   1.06703
    D2       -3.07893   0.00001   0.01690  -0.00139   0.01551  -3.06342
    D3       -1.02881   0.00003   0.01729  -0.00106   0.01623  -1.01259
    D4        3.13674   0.00003   0.01707  -0.00045   0.01661  -3.12983
    D5       -0.99254   0.00000   0.01688  -0.00144   0.01543  -0.97710
    D6        1.05758   0.00002   0.01726  -0.00111   0.01615   1.07373
    D7       -1.04149   0.00005   0.01725  -0.00034   0.01690  -1.02459
    D8        1.11242   0.00002   0.01706  -0.00133   0.01572   1.12814
    D9       -3.12066   0.00004   0.01744  -0.00100   0.01645  -3.10421
   D10        0.97566   0.00003   0.00753   0.01123   0.01876   0.99442
   D11        3.08386   0.00002   0.00710   0.01086   0.01796   3.10181
   D12       -1.11355   0.00001   0.00723   0.01078   0.01800  -1.09555
   D13       -1.17337   0.00002   0.00731   0.01155   0.01885  -1.15451
   D14        0.93483   0.00001   0.00688   0.01118   0.01806   0.95288
   D15        3.02060   0.00000   0.00700   0.01110   0.01810   3.03870
   D16        3.05482   0.00002   0.00768   0.01206   0.01974   3.07456
   D17       -1.12017   0.00001   0.00725   0.01169   0.01894  -1.10122
   D18        0.96561   0.00000   0.00737   0.01161   0.01899   0.98460
   D19        1.97183   0.00004   0.00876   0.00892   0.01768   1.98950
   D20       -1.16553   0.00002   0.00978   0.00553   0.01532  -1.15021
   D21       -2.14545   0.00003   0.00876   0.00850   0.01726  -2.12819
   D22        1.00038   0.00001   0.00979   0.00512   0.01490   1.01529
   D23       -0.08441   0.00004   0.00820   0.00819   0.01640  -0.06801
   D24        3.06142   0.00001   0.00923   0.00481   0.01404   3.07546
   D25       -3.13554  -0.00001  -0.00034  -0.00162  -0.00196  -3.13750
   D26        0.00215   0.00002  -0.00129   0.00150   0.00021   0.00236
   D27        3.13472   0.00001   0.00070   0.00091   0.00161   3.13633
   D28       -0.00319  -0.00001   0.00159  -0.00203  -0.00044  -0.00363
   D29        3.13199  -0.00002   0.00027  -0.00046  -0.00019   3.13180
   D30        0.00043  -0.00001   0.00019   0.00004   0.00023   0.00066
   D31        2.12799   0.00009   0.00085   0.01147   0.01232   2.14031
   D32       -1.99519  -0.00006   0.00174   0.01085   0.01259  -1.98260
   D33        0.02076   0.00001   0.00087   0.01040   0.01128   0.03204
   D34       -1.02507   0.00009   0.00092   0.01089   0.01182  -1.01326
   D35        1.13493  -0.00007   0.00181   0.01027   0.01208   1.14702
   D36       -3.13230   0.00001   0.00094   0.00983   0.01077  -3.12153
   D37       -0.00283   0.00000   0.00102  -0.00157  -0.00055  -0.00338
   D38       -3.13742   0.00004  -0.00017   0.00116   0.00099  -3.13643
   D39       -3.13312   0.00001   0.00095  -0.00100  -0.00004  -3.13317
   D40        0.01547   0.00005  -0.00024   0.00174   0.00150   0.01697
   D41       -1.23965  -0.00010  -0.00816   0.00257  -0.00559  -1.24525
   D42        1.32806  -0.00015   0.00061  -0.01331  -0.01270   1.31536
   D43        2.88217   0.00002  -0.00946   0.00244  -0.00701   2.87516
   D44       -0.83330  -0.00002  -0.00069  -0.01343  -0.01412  -0.84742
   D45        0.89022  -0.00006  -0.00947   0.00276  -0.00671   0.88350
   D46       -2.82526  -0.00011  -0.00070  -0.01312  -0.01382  -2.83908
   D47       -1.20216  -0.00002   0.00094   0.00283   0.00378  -1.19838
   D48        3.01783  -0.00005   0.00028   0.00291   0.00320   3.02103
   D49        0.90731  -0.00001   0.00074   0.00347   0.00422   0.91153
   D50        2.47622   0.00009  -0.00744   0.01769   0.01024   2.48646
   D51        0.41302   0.00006  -0.00810   0.01778   0.00967   0.42269
   D52       -1.69750   0.00010  -0.00764   0.01833   0.01069  -1.68681
   D53       -2.87716   0.00004  -0.00565   0.01163   0.00599  -2.87117
   D54        0.28965  -0.00011  -0.00589   0.01543   0.00956   0.29921
   D55       -0.31639  -0.00005   0.00286  -0.00455  -0.00171  -0.31810
   D56        2.85042  -0.00020   0.00262  -0.00075   0.00186   2.85228
   D57        2.80778  -0.00003  -0.00432  -0.00715  -0.01145   2.79633
   D58        0.36258   0.00006  -0.01605  -0.00595  -0.02201   0.34056
   D59       -0.30872  -0.00018  -0.00457  -0.00339  -0.00795  -0.31667
   D60       -2.75393  -0.00009  -0.01630  -0.00219  -0.01851  -2.77244
   D61       -1.72025  -0.00039  -0.01265  -0.01125  -0.02391  -1.74416
   D62        2.43521   0.00020  -0.01088  -0.01198  -0.02287   2.41235
   D63        0.37475   0.00006  -0.01173  -0.01134  -0.02308   0.35167
   D64        0.76218  -0.00043  -0.00129  -0.01205  -0.01334   0.74884
   D65       -1.36555   0.00016   0.00048  -0.01278  -0.01229  -1.37784
   D66        2.85717   0.00002  -0.00037  -0.01214  -0.01250   2.84467
   D67       -0.61602  -0.00002   0.00310   0.01730   0.02040  -0.59562
   D68        2.48527   0.00073   0.00643   0.01622   0.02266   2.50793
   D69        1.48642   0.00037   0.00185   0.01711   0.01895   1.50537
   D70       -1.69547   0.00112   0.00517   0.01603   0.02121  -1.67426
   D71       -2.68477  -0.00012   0.00284   0.01512   0.01796  -2.66682
   D72        0.41652   0.00063   0.00617   0.01404   0.02021   0.43673
   D73        1.24708   0.00018  -0.00504  -0.01847  -0.02351   1.22357
   D74       -2.86478  -0.00010  -0.00365  -0.01640  -0.02006  -2.88484
   D75       -0.81887  -0.00013  -0.00499  -0.01807  -0.02306  -0.84194
   D76       -0.84588   0.00030  -0.00350  -0.01843  -0.02193  -0.86781
   D77        1.32545   0.00002  -0.00211  -0.01637  -0.01848   1.30697
   D78       -2.91183  -0.00001  -0.00345  -0.01803  -0.02148  -2.93332
   D79       -2.97894   0.00038  -0.00467  -0.01664  -0.02131  -3.00025
   D80       -0.80761   0.00010  -0.00328  -0.01458  -0.01786  -0.82547
   D81        1.23829   0.00008  -0.00462  -0.01624  -0.02086   1.21743
   D82        3.11861  -0.00118  -0.00739  -0.00315  -0.01053   3.10808
   D83        0.18002  -0.00021  -0.00267   0.00278   0.00012   0.18014
   D84       -0.06290  -0.00043  -0.00411  -0.00419  -0.00831  -0.07121
   D85       -3.00149   0.00054   0.00061   0.00173   0.00234  -2.99915
   D86        2.42649   0.00083   0.01828  -0.00376   0.01451   2.44101
   D87       -1.69272   0.00158   0.01859  -0.00430   0.01428  -1.67844
   D88        0.38156   0.00069   0.01794  -0.00343   0.01452   0.39607
   D89       -0.90829  -0.00010   0.01369  -0.00937   0.00432  -0.90397
   D90        1.25568   0.00065   0.01400  -0.00991   0.00409   1.25977
   D91       -2.95322  -0.00024   0.01336  -0.00904   0.00432  -2.94890
   D92        1.07354  -0.00055  -0.00329   0.00634   0.00304   1.07658
   D93       -1.07251  -0.00054  -0.00391   0.00563   0.00172  -1.07079
   D94       -3.05017  -0.00054  -0.00400   0.00528   0.00128  -3.04889
   D95       -1.07639   0.00048  -0.00304   0.00595   0.00291  -1.07348
   D96        3.06075   0.00049  -0.00366   0.00525   0.00158   3.06233
   D97        1.08309   0.00049  -0.00376   0.00490   0.00114   1.08423
   D98        3.11365   0.00008  -0.00296   0.00656   0.00360   3.11725
   D99        0.96760   0.00009  -0.00358   0.00586   0.00228   0.96988
   D100      -1.01005   0.00009  -0.00367   0.00551   0.00184  -1.00821
   D101       1.15158  -0.00030  -0.00207   0.00767   0.00559   1.15717
   D102      -0.95674   0.00000  -0.00138   0.00649   0.00511  -0.95163
   D103      -2.97303  -0.00039  -0.00190   0.00642   0.00452  -2.96852
   D104      -2.99297   0.00003  -0.00177   0.00755   0.00579  -2.98718
   D105       1.18190   0.00033  -0.00107   0.00637   0.00530   1.18720
   D106      -0.83439  -0.00006  -0.00159   0.00630   0.00471  -0.82968
   D107      -0.90876   0.00030  -0.00164   0.00659   0.00495  -0.90381
   D108      -3.01708   0.00059  -0.00094   0.00540   0.00447  -3.01261
   D109       1.24981   0.00021  -0.00146   0.00534   0.00387   1.25369
   D110      -1.59687  -0.00001  -0.00403   0.00637   0.00234  -1.59453
   D111       1.55174   0.00001  -0.00423   0.00697   0.00274   1.55448
   D112       0.53625   0.00001  -0.00345   0.00787   0.00442   0.54066
   D113      -2.59833   0.00003  -0.00366   0.00847   0.00481  -2.59351
   D114       2.54081  -0.00003  -0.00342   0.00781   0.00439   2.54520
   D115      -0.59376  -0.00001  -0.00363   0.00841   0.00479  -0.58897
   D116       3.13933   0.00001   0.00014   0.00017   0.00031   3.13965
   D117      -0.01407   0.00001   0.00011  -0.00065  -0.00054  -0.01462
   D118      -0.00921   0.00000   0.00034  -0.00043  -0.00008  -0.00929
   D119       3.12057   0.00000   0.00031  -0.00125  -0.00094   3.11963
   D120      -3.13935  -0.00002  -0.00009  -0.00032  -0.00041  -3.13976
   D121       0.00819  -0.00001  -0.00046  -0.00068  -0.00114   0.00705
   D122       0.00923   0.00000  -0.00030   0.00028  -0.00002   0.00921
   D123      -3.12643   0.00000  -0.00067  -0.00008  -0.00075  -3.12717
   D124       0.00227   0.00000  -0.00016   0.00024   0.00007   0.00234
   D125       3.14050   0.00000  -0.00011  -0.00010  -0.00020   3.14029
   D126      -3.12755   0.00000  -0.00013   0.00106   0.00093  -3.12662
   D127       0.01067   0.00000  -0.00007   0.00072   0.00065   0.01132
   D128       0.00470   0.00000  -0.00007   0.00010   0.00004   0.00474
   D129      -3.14119   0.00000   0.00009  -0.00021  -0.00012  -3.14132
   D130      -3.13352   0.00000  -0.00012   0.00044   0.00032  -3.13320
   D131       0.00377   0.00000   0.00003   0.00012   0.00016   0.00393
   D132      -0.00468   0.00000   0.00011  -0.00025  -0.00014  -0.00482
   D133       3.13488   0.00000   0.00021  -0.00032  -0.00011   3.13476
   D134       3.14121   0.00000  -0.00004   0.00006   0.00002   3.14123
   D135      -0.00241   0.00000   0.00006  -0.00001   0.00005  -0.00236
   D136      -0.00231   0.00000   0.00007   0.00006   0.00013  -0.00218
   D137       3.13337   0.00000   0.00044   0.00042   0.00085   3.13423
   D138       3.14131   0.00000  -0.00003   0.00013   0.00010   3.14142
   D139      -0.00619   0.00000   0.00034   0.00049   0.00083  -0.00536
   D140      -1.69124   0.00053  -0.01450   0.01141  -0.00309  -1.69433
   D141       2.58663   0.00036  -0.01255   0.01287   0.00032   2.58695
   D142       0.38306   0.00028  -0.01456   0.01404  -0.00051   0.38255
   D143       0.43491   0.00009  -0.01532   0.01266  -0.00265   0.43226
   D144      -1.57041  -0.00008  -0.01336   0.01413   0.00076  -1.56965
   D145       2.50921  -0.00016  -0.01537   0.01529  -0.00007   2.50914
   D146       2.45124   0.00043  -0.01457   0.01163  -0.00294   2.44831
   D147       0.44592   0.00026  -0.01261   0.01309   0.00047   0.44640
   D148      -1.75764   0.00018  -0.01462   0.01426  -0.00035  -1.75800
   D149       2.36856  -0.00076  -0.00076  -0.03703  -0.03778   2.33078
   D150      -1.83482  -0.00038  -0.00001  -0.03714  -0.03716  -1.87198
   D151       0.26061  -0.00045  -0.00136  -0.03882  -0.04018   0.22042
   D152      -1.24889   0.00008   0.02919  -0.00625   0.02294  -1.22595
   D153       2.85788   0.00022   0.02856  -0.00242   0.02613   2.88401
   D154       0.85914   0.00019   0.03017  -0.00313   0.02705   0.88619
   D155       3.03740  -0.00028   0.03022  -0.00913   0.02109   3.05849
   D156       0.86098  -0.00015   0.02960  -0.00531   0.02427   0.88526
   D157      -1.13776  -0.00018   0.03120  -0.00601   0.02519  -1.11257
   D158       0.96397  -0.00004   0.03164  -0.00767   0.02398   0.98795
   D159      -1.21244   0.00010   0.03101  -0.00384   0.02716  -1.18528
   D160       3.07200   0.00007   0.03262  -0.00455   0.02808   3.10008
   D161       2.96580   0.00008   0.00282  -0.00930  -0.00648   2.95933
   D162      -1.17192   0.00009   0.00340  -0.01164  -0.00825  -1.18017
   D163       0.83163   0.00001   0.00199  -0.01308  -0.01110   0.82053
   D164      -1.17968  -0.00006   0.00331  -0.01084  -0.00753  -1.18721
   D165       0.96578  -0.00005   0.00389  -0.01319  -0.00930   0.95648
   D166       2.96933  -0.00012   0.00248  -0.01463  -0.01215   2.95718
   D167       0.86805  -0.00009   0.00397  -0.01276  -0.00879   0.85927
   D168       3.01351  -0.00007   0.00455  -0.01510  -0.01056   3.00295
   D169      -1.26612  -0.00015   0.00314  -0.01655  -0.01341  -1.27953
   D170       1.43410  -0.00011  -0.00504  -0.02189  -0.02703   1.40707
   D171      -1.46900   0.00005  -0.04278   0.01372  -0.02896  -1.49796
   D172      -0.72216  -0.00011  -0.00756  -0.01930  -0.02696  -0.74912
   D173       2.65792   0.00005  -0.04530   0.01631  -0.02889   2.62904
   D174      -2.81343  -0.00006  -0.00857  -0.01914  -0.02781  -2.84125
   D175       0.56665   0.00010  -0.04631   0.01647  -0.02974   0.53691
   D176       1.79574  -0.00010  -0.00251  -0.01131  -0.01383   1.78192
   D177      -1.35069  -0.00009  -0.00179  -0.01020  -0.01198  -1.36267
   D178      -0.34666  -0.00005  -0.00274  -0.00886  -0.01160  -0.35826
   D179       2.79009  -0.00005  -0.00201  -0.00774  -0.00975   2.78034
   D180      -2.35558  -0.00005  -0.00191  -0.00720  -0.00911  -2.36469
   D181       0.78117  -0.00004  -0.00119  -0.00608  -0.00727   0.77390
   D182       3.13352   0.00001   0.00086   0.00079   0.00165   3.13517
   D183      -0.01305   0.00001   0.00203   0.00036   0.00239  -0.01066
   D184      -0.00326   0.00001   0.00014  -0.00032  -0.00018  -0.00344
   D185       3.13335   0.00001   0.00131  -0.00075   0.00055   3.13390
   D186      -3.13454  -0.00001  -0.00083  -0.00080  -0.00163  -3.13617
   D187       0.00495  -0.00001  -0.00088  -0.00077  -0.00165   0.00330
   D188       0.00223  -0.00001  -0.00011   0.00032   0.00021   0.00244
   D189      -3.14147   0.00000  -0.00015   0.00034   0.00019  -3.14128
   D190       0.00190  -0.00001  -0.00002   0.00012   0.00010   0.00201
   D191      -3.13997  -0.00001   0.00024  -0.00005   0.00019  -3.13978
   D192      -3.13467  -0.00001  -0.00120   0.00056  -0.00064  -3.13532
   D193       0.00664  -0.00001  -0.00095   0.00039  -0.00056   0.00608
   D194       0.00050   0.00000  -0.00013   0.00009  -0.00005   0.00045
   D195      -3.14115   0.00000   0.00017   0.00012   0.00029  -3.14086
   D196      -3.14081   0.00000  -0.00039   0.00025  -0.00013  -3.14095
   D197       0.00072   0.00000  -0.00008   0.00029   0.00021   0.00093
   D198      -0.00154   0.00000   0.00016  -0.00009   0.00008  -0.00146
   D199       3.14107   0.00000   0.00025  -0.00035  -0.00010   3.14098
   D200       3.14011   0.00000  -0.00014  -0.00012  -0.00027   3.13985
   D201      -0.00046   0.00000  -0.00005  -0.00039  -0.00044  -0.00090
   D202       0.00017   0.00000  -0.00004  -0.00011  -0.00016   0.00001
   D203      -3.13933   0.00000   0.00000  -0.00014  -0.00014  -3.13946
   D204       3.14074   0.00001  -0.00013   0.00015   0.00002   3.14076
   D205       0.00125   0.00000  -0.00009   0.00012   0.00004   0.00128
   D206       0.17896   0.00020  -0.02157   0.02943   0.00784   0.18680
   D207      -3.00652   0.00016  -0.02075   0.02430   0.00353  -3.00298
   D208       3.07528   0.00003   0.01727  -0.00733   0.00995   3.08523
   D209      -0.11020  -0.00002   0.01809  -0.01247   0.00564  -0.10455
   D210       3.00564   0.00006   0.00062   0.00307   0.00370   3.00934
   D211      -0.17533   0.00001   0.00132  -0.00161  -0.00029  -0.17562
   D212      -1.59263   0.00014   0.00858   0.00650   0.01509  -1.57754
   D213       2.61946   0.00006   0.00858   0.00643   0.01502   2.63448
   D214       0.58688   0.00004   0.00799   0.00563   0.01363   0.60051
   D215      -0.84951  -0.00005   0.03680  -0.01979   0.01701  -0.83250
   D216       2.27517  -0.00011   0.04146  -0.02741   0.01406   2.28923
   D217       1.09708  -0.00003   0.03707  -0.02028   0.01679   1.11387
   D218      -2.06142  -0.00010   0.04173  -0.02790   0.01383  -2.04759
   D219      -2.98234   0.00001   0.03718  -0.01901   0.01817  -2.96417
   D220       0.14234  -0.00005   0.04184  -0.02663   0.01521   0.15755
   D221       3.12918  -0.00002   0.00263  -0.00469  -0.00208   3.12710
   D222      -0.01078   0.00000   0.00368  -0.00367   0.00000  -0.01078
   D223       0.00281   0.00004  -0.00157   0.00218   0.00061   0.00342
   D224      -3.13714   0.00006  -0.00052   0.00320   0.00268  -3.13446
   D225      -3.13532   0.00000  -0.00202   0.00355   0.00150  -3.13382
   D226      -0.00772  -0.00005   0.00183  -0.00276  -0.00093  -0.00865
   D227       0.00603   0.00001   0.00023   0.00000   0.00024   0.00627
   D228      -3.13705  -0.00001  -0.00072  -0.00093  -0.00165  -3.13870
   D229      -0.01196  -0.00005   0.00123  -0.00220  -0.00097  -0.01292
   D230       3.13033   0.00007  -0.00084   0.00227   0.00143   3.13177
   D231       0.01162   0.00006  -0.00180   0.00292   0.00112   0.01274
   D232      -3.13064  -0.00005   0.00017  -0.00136  -0.00118  -3.13182
   D233      -0.90436  -0.00022   0.10035  -0.03302   0.06734  -0.83702
   D234       1.18284   0.00001   0.10477  -0.03110   0.07367   1.25651
   D235      -2.99096  -0.00008   0.10274  -0.02594   0.07681  -2.91415
   D236      -3.06442   0.00004   0.09993  -0.03348   0.06646  -2.99796
   D237      -0.97722   0.00027   0.10435  -0.03156   0.07279  -0.90443
   D238       1.13216   0.00018   0.10232  -0.02640   0.07592   1.20809
   D239       1.14466  -0.00001   0.09935  -0.03366   0.06569   1.21034
   D240      -3.05133   0.00022   0.10376  -0.03174   0.07202  -2.97931
   D241      -0.94195   0.00013   0.10174  -0.02658   0.07516  -0.86679
   D242       3.10451  -0.00014  -0.01167   0.00392  -0.00775   3.09676
   D243      -1.10176  -0.00014  -0.01213   0.00258  -0.00955  -1.11131
   D244       1.02116  -0.00009  -0.01113   0.00503  -0.00610   1.01506
   D245      -0.98876  -0.00008  -0.01049   0.00507  -0.00542  -0.99418
   D246       1.08816  -0.00008  -0.01095   0.00373  -0.00722   1.08094
   D247      -3.07211  -0.00003  -0.00995   0.00618  -0.00377  -3.07588
   D248       1.08114  -0.00002  -0.00959   0.00557  -0.00402   1.07712
   D249      -3.12513  -0.00001  -0.01005   0.00423  -0.00581  -3.13094
   D250      -1.00222   0.00004  -0.00905   0.00668  -0.00236  -1.00458
   D251       0.00328   0.00001  -0.00141   0.00196   0.00054   0.00382
   D252       3.13839  -0.00003  -0.00029  -0.00057  -0.00086   3.13754
         Item               Value     Threshold  Converged?
 Maximum Force            0.001994     0.000450     NO 
 RMS     Force            0.000256     0.000300     YES
 Maximum Displacement     0.467313     0.001800     NO 
 RMS     Displacement     0.093349     0.001200     NO 
 Predicted change in Energy=-1.253228D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.024483   -2.743569   -0.350023
      2          6           0       -9.009439   -1.259020   -0.728412
      3          6           0      -10.041456   -0.457926    0.070319
      4          6           0       -7.638577   -0.690956   -0.533939
      5          7           0       -6.838130   -0.245404   -1.473506
      6          6           0       -5.603981    0.222710   -0.952306
      7          6           0       -4.601323    0.745911   -1.944244
      8          7           0       -4.173306    2.142879   -1.694580
      9          6           0       -5.216652    3.161660   -1.989237
     10          6           0       -3.270455    2.474352   -0.650252
     11          8           0       -3.134598    3.630136   -0.265841
     12          7           0       -2.496107    1.421606   -0.083278
     13          6           0       -1.271710    1.821560    0.654580
     14          6           0       -0.057714    1.616092   -0.272943
     15          8           0       -0.006070    0.703062   -1.089700
     16          7           0        0.962182    2.550859   -0.169154
     17          6           0        2.198499    2.423843   -0.987130
     18          6           0        2.631196    3.819595   -1.489859
     19          6           0        2.966487    4.792607   -0.393536
     20          6           0        1.972126    5.636556    0.126688
     21          6           0        2.281311    6.539489    1.146833
     22          6           0        3.582716    6.610529    1.654110
     23          6           0        4.576956    5.777377    1.132216
     24          6           0        4.273405    4.872118    0.111721
     25          6           0        3.316002    1.727228   -0.181278
     26          6           0        2.973666    0.264678    0.131746
     27          8           0        2.433198    0.274448    1.470404
     28          6           0        4.242172   -0.641530    0.194131
     29          6           0        4.851456   -0.832042   -1.205335
     30          6           0        6.204275   -1.485126   -1.143499
     31          6           0        6.337824   -2.848397   -1.446401
     32          6           0        7.594818   -3.455842   -1.397167
     33          6           0        8.723860   -2.709625   -1.043931
     34          6           0        8.591846   -1.351147   -0.738835
     35          6           0        7.337446   -0.737446   -0.787438
     36          7           0        3.882881   -1.931718    0.841803
     37          6           0        3.260033   -2.972600    0.182742
     38          8           0        3.047981   -3.141062   -1.001252
     39          8           0        2.921628   -3.932206    1.147782
     40          6           0        2.098305   -5.041795    0.683868
     41          6           0        0.675020   -4.680955    0.857739
     42          6           0        0.053267   -4.145103    1.955521
     43          7           0       -1.325058   -3.893154    1.806370
     44          6           0       -1.760870   -4.236164    0.615735
     45         16           0       -0.484120   -4.881826   -0.423515
     46          6           0       -1.153158    0.970478    1.953276
     47          6           0       -0.817293   -0.496041    1.675578
     48          6           0       -0.125646    1.604214    2.894128
     49          6           0       -5.470773    0.127945    0.403684
     50         16           0       -6.910421   -0.556546    1.088055
     51          1           0      -10.002674   -3.190641   -0.563034
     52          1           0       -8.274754   -3.308960   -0.917395
     53          1           0       -8.820687   -2.904336    0.715337
     54          1           0       -9.264498   -1.170354   -1.823456
     55          1           0       -9.897420   -0.552185    1.153319
     56          1           0       -9.998791    0.610601   -0.175460
     57          1           0      -11.058762   -0.803414   -0.149589
     58          1           0       -3.707148    0.077388   -1.971311
     59          1           0       -5.035139    0.704154   -2.978296
     60          1           0       -5.383134    3.193682   -3.078538
     61          1           0       -4.874119    4.164163   -1.664734
     62          1           0       -6.172936    2.945165   -1.486404
     63          1           0       -2.378714    0.551376   -0.618804
     64          1           0       -1.370483    2.909102    0.946166
     65          1           0        0.983323    3.234974    0.584597
     66          1           0        1.948320    1.790153   -1.888637
     67          1           0        1.820103    4.234185   -2.129487
     68          1           0        3.495556    3.699954   -2.175478
     69          1           0        0.958538    5.597897   -0.272209
     70          1           0        1.505422    7.192411    1.545277
     71          1           0        3.821101    7.314288    2.448736
     72          1           0        5.592754    5.834781    1.520691
     73          1           0        5.055432    4.233351   -0.292121
     74          1           0        3.487504    2.262080    0.779789
     75          1           0        4.269976    1.802687   -0.736187
     76          1           0        2.213533   -0.151332   -0.570993
     77          1           0        1.600590   -0.269138    1.507976
     78          1           0        4.996443   -0.161774    0.878896
     79          1           0        4.158804   -1.435958   -1.843070
     80          1           0        4.925103    0.148349   -1.720806
     81          1           0        5.455151   -3.431626   -1.716365
     82          1           0        7.694595   -4.513755   -1.634597
     83          1           0        9.701564   -3.184402   -1.006904
     84          1           0        9.469270   -0.768856   -0.463147
     85          1           0        7.243335    0.319133   -0.550896
     86          1           0        3.923181   -1.946396    1.863121
     87          1           0        2.416411   -5.855022    1.370495
     88          1           0        2.372708   -5.291514   -0.362619
     89          1           0        0.517215   -3.899763    2.907054
     90          1           0       -2.783860   -4.145301    0.270516
     91          1           0       -2.160312    1.009670    2.449209
     92          1           0       -1.456507   -0.925286    0.893202
     93          1           0        0.223127   -0.632499    1.339512
     94          1           0       -0.964314   -1.117375    2.569580
     95          1           0       -0.060367    1.044099    3.835639
     96          1           0        0.889331    1.611197    2.468139
     97          1           0       -0.388127    2.634811    3.155396
     98          1           0       -4.632278    0.421736    1.017421
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0639336      0.0296299      0.0219887
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3556.1980893660 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.247318638405     A.U. after   18 cycles
             Convg  =    0.6358D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000812   -0.000088134   -0.000057656
      2        6          -0.000062676   -0.000022730    0.000048618
      3        6           0.000051023   -0.000045448    0.000019230
      4        6          -0.000056505    0.000115919   -0.000268987
      5        7           0.000215898    0.000111640    0.000118037
      6        6          -0.000215109   -0.000361697    0.000064291
      7        6          -0.000059269    0.000287814    0.000204909
      8        7          -0.000028664   -0.000118719    0.000253452
      9        6           0.000243726   -0.000109968   -0.000129318
     10        6          -0.000136323    0.000043151   -0.000593371
     11        8           0.000059759   -0.000024059    0.000103387
     12        7           0.000087326   -0.000172250    0.000460247
     13        6          -0.000103289    0.000307764   -0.000016255
     14        6          -0.000300948    0.000011331    0.000448153
     15        8           0.000197901   -0.000087237    0.000023216
     16        7          -0.000086149    0.000259498   -0.000288300
     17        6          -0.000489597    0.000203299    0.000690389
     18        6          -0.000049536   -0.000278462    0.000009956
     19        6           0.000075966   -0.000025257   -0.000063615
     20        6          -0.000015790    0.000152904   -0.000089876
     21        6          -0.000029809   -0.000079550    0.000012891
     22        6           0.000114940    0.000002923   -0.000021289
     23        6          -0.000027565   -0.000003514    0.000003125
     24        6          -0.000049403   -0.000005892    0.000057929
     25        6           0.000577206    0.000641008    0.000053565
     26        6           0.000590549   -0.000388127   -0.000765186
     27        8          -0.001537465   -0.000707430   -0.000231483
     28        6          -0.000205992   -0.000255550   -0.000010506
     29        6           0.000102810   -0.000044455    0.000134177
     30        6          -0.000005046   -0.000215882    0.000030654
     31        6          -0.000161247    0.000086921    0.000153857
     32        6           0.000062103    0.000001060   -0.000017258
     33        6          -0.000026964   -0.000078281   -0.000043126
     34        6          -0.000123419    0.000017501    0.000045562
     35        6           0.000151731    0.000085545   -0.000132502
     36        7          -0.000635537    0.000384681    0.000100000
     37        6           0.000083092    0.000120168   -0.000254689
     38        8          -0.000004192   -0.000467110    0.000320770
     39        8           0.000085268   -0.000035438   -0.000094482
     40        6          -0.000178835    0.000021198   -0.000267419
     41        6           0.000209843   -0.000120596   -0.000018718
     42        6          -0.000081206   -0.000144237    0.000013788
     43        7           0.000058598    0.000034983    0.000041599
     44        6           0.000096123   -0.000026160    0.000042235
     45       16          -0.000023628    0.000047750   -0.000112402
     46        6          -0.000028467   -0.000004066    0.000224129
     47        6           0.000965239   -0.000055086   -0.000267061
     48        6           0.000035197    0.000274497    0.000213679
     49        6          -0.000186505    0.000045968   -0.000352571
     50       16           0.000030281   -0.000027714    0.000216506
     51        1           0.000012572    0.000053398    0.000009668
     52        1          -0.000021441    0.000030790   -0.000001394
     53        1           0.000052628    0.000013975   -0.000009054
     54        1          -0.000002945    0.000063431    0.000079196
     55        1          -0.000011395    0.000019160   -0.000004750
     56        1           0.000023497   -0.000001640   -0.000003106
     57        1           0.000006552    0.000009594   -0.000021072
     58        1           0.000051387   -0.000041364    0.000065232
     59        1          -0.000067670   -0.000016130   -0.000128249
     60        1           0.000054790    0.000012368   -0.000008000
     61        1          -0.000009634    0.000027127   -0.000038855
     62        1           0.000049357   -0.000011006   -0.000013717
     63        1          -0.000185942    0.000066087   -0.000189456
     64        1           0.000143158    0.000102945   -0.000006801
     65        1           0.000039440   -0.000059542   -0.000010502
     66        1           0.000158727   -0.000218676    0.000202776
     67        1           0.000044197   -0.000019840    0.000067584
     68        1          -0.000008550    0.000007001   -0.000100890
     69        1          -0.000023053   -0.000029366    0.000020340
     70        1           0.000006052   -0.000002521    0.000004328
     71        1          -0.000012932   -0.000024495    0.000003656
     72        1          -0.000024221   -0.000015798    0.000006550
     73        1          -0.000014969    0.000004560   -0.000021323
     74        1           0.000080114    0.000053589    0.000096108
     75        1           0.000009098    0.000068977   -0.000051970
     76        1          -0.000094803   -0.000012790   -0.000038493
     77        1           0.000412704    0.000075310   -0.000042779
     78        1          -0.000134089    0.000338483   -0.000144942
     79        1           0.000074842   -0.000029508   -0.000069933
     80        1           0.000075689   -0.000105256    0.000280981
     81        1           0.000075912    0.000095215   -0.000017859
     82        1           0.000015628    0.000001020    0.000011823
     83        1          -0.000010754   -0.000016922    0.000007139
     84        1          -0.000006355    0.000005630    0.000005949
     85        1          -0.000010013   -0.000002028    0.000004423
     86        1           0.000269585    0.000045617   -0.000077731
     87        1          -0.000112137   -0.000053883    0.000111863
     88        1          -0.000063846    0.000005108    0.000101635
     89        1           0.000017972    0.000035677    0.000032410
     90        1           0.000020634    0.000066681   -0.000043611
     91        1          -0.000217976    0.000017763   -0.000028598
     92        1          -0.000050039   -0.000216591    0.000014590
     93        1           0.000479396    0.000635545    0.000124728
     94        1          -0.000205476   -0.000280635   -0.000213700
     95        1           0.000137519    0.000050775   -0.000081711
     96        1          -0.000118851    0.000015435    0.000078124
     97        1          -0.000091220    0.000023799   -0.000023866
     98        1           0.000000610   -0.000051545    0.000050973
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001537465 RMS     0.000205250

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002800800 RMS     0.000371117
 Search for a local minimum.
 Step number  30 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   28   29   30
 DE= -5.15D-05 DEPred=-1.25D-04 R= 4.11D-01
 Trust test= 4.11D-01 RLast= 2.93D-01 DXMaxT set to 1.74D+00
     Eigenvalues ---    0.00048   0.00136   0.00212   0.00312   0.00331
     Eigenvalues ---    0.00414   0.00495   0.00583   0.00621   0.00660
     Eigenvalues ---    0.00721   0.00796   0.00907   0.00922   0.00945
     Eigenvalues ---    0.00965   0.01050   0.01082   0.01189   0.01235
     Eigenvalues ---    0.01274   0.01302   0.01368   0.01405   0.01425
     Eigenvalues ---    0.01440   0.01484   0.01572   0.01591   0.01658
     Eigenvalues ---    0.01684   0.01750   0.01845   0.01926   0.01991
     Eigenvalues ---    0.02080   0.02173   0.02194   0.02203   0.02213
     Eigenvalues ---    0.02220   0.02258   0.02269   0.02289   0.02313
     Eigenvalues ---    0.02328   0.02373   0.02406   0.02408   0.02415
     Eigenvalues ---    0.02448   0.02482   0.02485   0.02518   0.02527
     Eigenvalues ---    0.02529   0.02653   0.02699   0.02760   0.03269
     Eigenvalues ---    0.03346   0.03960   0.04050   0.04140   0.04196
     Eigenvalues ---    0.04298   0.04434   0.04591   0.04707   0.04819
     Eigenvalues ---    0.04928   0.04969   0.05032   0.05075   0.05205
     Eigenvalues ---    0.05219   0.05341   0.05385   0.05420   0.05449
     Eigenvalues ---    0.05536   0.05584   0.05658   0.05727   0.05772
     Eigenvalues ---    0.05774   0.05847   0.05916   0.05981   0.06028
     Eigenvalues ---    0.06238   0.06418   0.06514   0.06644   0.06906
     Eigenvalues ---    0.07133   0.07518   0.07549   0.08044   0.08135
     Eigenvalues ---    0.08636   0.09385   0.09734   0.09832   0.10354
     Eigenvalues ---    0.11946   0.12921   0.13009   0.13113   0.13468
     Eigenvalues ---    0.13787   0.13899   0.14304   0.15629   0.15665
     Eigenvalues ---    0.15739   0.15854   0.15945   0.15962   0.15980
     Eigenvalues ---    0.15997   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16001   0.16007   0.16009
     Eigenvalues ---    0.16018   0.16034   0.16045   0.16064   0.16073
     Eigenvalues ---    0.16105   0.16162   0.16247   0.16470   0.16895
     Eigenvalues ---    0.17073   0.17571   0.17950   0.17998   0.18275
     Eigenvalues ---    0.18587   0.19111   0.19456   0.20325   0.21581
     Eigenvalues ---    0.21629   0.21785   0.21992   0.22000   0.22000
     Eigenvalues ---    0.22002   0.22045   0.22130   0.22326   0.22650
     Eigenvalues ---    0.22816   0.22956   0.23448   0.23487   0.23656
     Eigenvalues ---    0.23726   0.23967   0.24234   0.24390   0.24717
     Eigenvalues ---    0.24910   0.24974   0.25014   0.25045   0.25096
     Eigenvalues ---    0.25246   0.25457   0.25568   0.26747   0.29279
     Eigenvalues ---    0.29482   0.29651   0.29782   0.29911   0.30120
     Eigenvalues ---    0.30219   0.30356   0.30548   0.30740   0.30940
     Eigenvalues ---    0.31334   0.31426   0.31437   0.31493   0.31568
     Eigenvalues ---    0.31599   0.31673   0.31905   0.32007   0.32092
     Eigenvalues ---    0.32309   0.32411   0.32526   0.32584   0.32667
     Eigenvalues ---    0.32774   0.32838   0.32894   0.32944   0.33017
     Eigenvalues ---    0.33022   0.33061   0.33142   0.33184   0.33243
     Eigenvalues ---    0.33323   0.33467   0.33555   0.33572   0.33672
     Eigenvalues ---    0.33710   0.33894   0.33974   0.33993   0.34023
     Eigenvalues ---    0.34165   0.34240   0.34339   0.34357   0.34415
     Eigenvalues ---    0.34494   0.34589   0.34697   0.34914   0.35280
     Eigenvalues ---    0.36144   0.36247   0.36311   0.36375   0.36629
     Eigenvalues ---    0.36710   0.36831   0.36960   0.37168   0.38227
     Eigenvalues ---    0.38856   0.39034   0.39474   0.41154   0.41240
     Eigenvalues ---    0.41869   0.42461   0.42696   0.43255   0.43494
     Eigenvalues ---    0.43732   0.44261   0.45121   0.45824   0.47227
     Eigenvalues ---    0.47586   0.48333   0.48393   0.48580   0.48614
     Eigenvalues ---    0.48883   0.49146   0.49921   0.50023   0.50794
     Eigenvalues ---    0.50949   0.51281   0.51632   0.56338   0.57676
     Eigenvalues ---    0.58886   0.60845   0.62705   0.65177   0.76049
     Eigenvalues ---    0.79082   0.83783   1.430511000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    30   29   28   27   26
 RFO step:  Lambda=-8.40977259D-05.
 DIIS coeffs:      0.62937      0.89276     -0.28846     -0.47309      0.23942
 Iteration  1 RMS(Cart)=  0.07335809 RMS(Int)=  0.00191394
 Iteration  2 RMS(Cart)=  0.00249166 RMS(Int)=  0.00007152
 Iteration  3 RMS(Cart)=  0.00000874 RMS(Int)=  0.00007125
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00007125
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89523  -0.00005   0.00037  -0.00011   0.00026   2.89549
    R2        2.07191   0.00005  -0.00020   0.00008  -0.00011   2.07179
    R3        2.07325   0.00003  -0.00008   0.00003  -0.00005   2.07320
    R4        2.07214  -0.00002   0.00000   0.00011   0.00011   2.07224
    R5        2.89368   0.00007  -0.00032   0.00011  -0.00021   2.89347
    R6        2.82814   0.00007   0.00014  -0.00004   0.00010   2.82825
    R7        2.13132  -0.00002   0.00003   0.00001   0.00004   2.13136
    R8        2.07226  -0.00002   0.00002   0.00005   0.00007   2.07234
    R9        2.07352   0.00001  -0.00008   0.00018   0.00010   2.07362
   R10        2.07236   0.00001   0.00002   0.00007   0.00009   2.07245
   R11        2.47981  -0.00012   0.00035  -0.00046  -0.00012   2.47969
   R12        3.36941   0.00015  -0.00072   0.00096   0.00023   3.36964
   R13        2.68175   0.00022  -0.00039   0.00078   0.00039   2.68214
   R14        2.84277  -0.00020   0.00054   0.00001   0.00056   2.84332
   R15        2.58101  -0.00020   0.00028  -0.00067  -0.00039   2.58061
   R16        2.80104   0.00011  -0.00021  -0.00003  -0.00024   2.80080
   R17        2.11041  -0.00003   0.00002  -0.00029  -0.00027   2.11014
   R18        2.12054   0.00006  -0.00013   0.00048   0.00036   2.12090
   R19        2.81138   0.00039  -0.00052   0.00050  -0.00002   2.81136
   R20        2.68290  -0.00010   0.00035  -0.00114  -0.00079   2.68211
   R21        2.08326   0.00001   0.00003  -0.00037  -0.00035   2.08292
   R22        2.09380  -0.00001   0.00012   0.00018   0.00030   2.09410
   R23        2.08229   0.00003  -0.00005   0.00060   0.00055   2.08285
   R24        2.31602   0.00000  -0.00006   0.00059   0.00053   2.31656
   R25        2.69201   0.00030  -0.00134  -0.00057  -0.00191   2.69010
   R26        2.80517  -0.00019  -0.00075  -0.00059  -0.00134   2.80384
   R27        1.94364   0.00012  -0.00090   0.00073  -0.00018   1.94346
   R28        2.91306   0.00061   0.00028  -0.00025   0.00003   2.91309
   R29        2.94276  -0.00009  -0.00011   0.00086   0.00075   2.94351
   R30        2.13591  -0.00001   0.00002   0.00015   0.00018   2.13609
   R31        2.31704  -0.00016  -0.00003   0.00018   0.00015   2.31719
   R32        2.62172   0.00096   0.00069  -0.00044   0.00025   2.62197
   R33        2.81163   0.00060   0.00006   0.00002   0.00008   2.81171
   R34        1.92400   0.00007  -0.00021   0.00088   0.00066   1.92466
   R35        2.92028   0.00026  -0.00082   0.00022  -0.00060   2.91968
   R36        2.91746  -0.00018   0.00143  -0.00031   0.00112   2.91858
   R37        2.13536  -0.00028   0.00069  -0.00089  -0.00020   2.13516
   R38        2.84157   0.00001  -0.00024   0.00071   0.00047   2.84204
   R39        2.10336  -0.00002  -0.00010  -0.00043  -0.00052   2.10284
   R40        2.09709   0.00005  -0.00002   0.00037   0.00035   2.09744
   R41        2.65346  -0.00004  -0.00002  -0.00002  -0.00004   2.65342
   R42        2.65212   0.00007  -0.00024   0.00023  -0.00001   2.65210
   R43        2.63993   0.00008  -0.00019   0.00025   0.00006   2.63999
   R44        2.05969  -0.00004   0.00005  -0.00014  -0.00009   2.05960
   R45        2.64294  -0.00003   0.00003  -0.00002   0.00002   2.64296
   R46        2.05891   0.00001  -0.00002  -0.00002  -0.00003   2.05887
   R47        2.64226   0.00007  -0.00017   0.00020   0.00003   2.64229
   R48        2.05584   0.00002  -0.00006   0.00012   0.00007   2.05591
   R49        2.64092   0.00004  -0.00007   0.00000  -0.00008   2.64084
   R50        2.05803   0.00003  -0.00003   0.00006   0.00003   2.05806
   R51        2.05510   0.00001   0.00002   0.00009   0.00011   2.05521
   R52        2.89950  -0.00145   0.00202  -0.00104   0.00099   2.90049
   R53        2.10357   0.00000  -0.00010  -0.00062  -0.00073   2.10285
   R54        2.09042   0.00001   0.00013  -0.00139  -0.00126   2.08917
   R55        2.72816  -0.00054   0.00009  -0.00001   0.00008   2.72823
   R56        2.94834   0.00039  -0.00117  -0.00004  -0.00121   2.94713
   R57        2.10830  -0.00004  -0.00018   0.00011  -0.00007   2.10823
   R58        1.88038   0.00028   0.00039  -0.00110  -0.00071   1.87967
   R59        2.90676  -0.00048   0.00138  -0.00047   0.00092   2.90767
   R60        2.81128  -0.00014   0.00072  -0.00037   0.00035   2.81163
   R61        2.12793  -0.00029   0.00078   0.00062   0.00140   2.12933
   R62        2.84117   0.00005   0.00016  -0.00020  -0.00004   2.84113
   R63        2.11378   0.00000   0.00063   0.00131   0.00194   2.11572
   R64        2.09777  -0.00021   0.00002  -0.00151  -0.00150   2.09627
   R65        2.65107   0.00018  -0.00033   0.00050   0.00018   2.65125
   R66        2.65228  -0.00006   0.00018  -0.00024  -0.00006   2.65221
   R67        2.63984  -0.00002   0.00001   0.00016   0.00017   2.64001
   R68        2.06331   0.00012   0.00000  -0.00029  -0.00028   2.06302
   R69        2.64315   0.00008  -0.00016   0.00009  -0.00007   2.64308
   R70        2.05755   0.00000  -0.00005  -0.00010  -0.00015   2.05741
   R71        2.64290  -0.00004   0.00008   0.00008   0.00016   2.64306
   R72        2.05510   0.00001  -0.00011   0.00007  -0.00004   2.05506
   R73        2.64056   0.00011  -0.00021  -0.00001  -0.00023   2.64033
   R74        2.05706   0.00000  -0.00005   0.00001  -0.00003   2.05703
   R75        2.05378   0.00000  -0.00007  -0.00008  -0.00014   2.05364
   R76        2.60874  -0.00052   0.00100   0.00105   0.00205   2.61078
   R77        1.93171  -0.00004   0.00050   0.00172   0.00221   1.93393
   R78        2.29521  -0.00056   0.00061  -0.00024   0.00036   2.29557
   R79        2.65011  -0.00021   0.00006  -0.00179  -0.00173   2.64838
   R80        2.75425  -0.00016   0.00022   0.00011   0.00034   2.75458
   R81        2.79410   0.00028  -0.00092   0.00040  -0.00051   2.79358
   R82        2.09920   0.00014  -0.00038   0.00019  -0.00019   2.09901
   R83        2.09818  -0.00002  -0.00023  -0.00032  -0.00055   2.09763
   R84        2.59026   0.00007   0.00018   0.00053   0.00072   2.59098
   R85        3.28702   0.00009  -0.00086   0.00025  -0.00061   3.28640
   R86        2.66277   0.00013  -0.00068   0.00011  -0.00057   2.66221
   R87        2.05351  -0.00002  -0.00004   0.00016   0.00012   2.05363
   R88        2.48210   0.00006   0.00064   0.00016   0.00079   2.48289
   R89        3.34167   0.00007  -0.00150   0.00004  -0.00146   3.34021
   R90        2.04749   0.00006  -0.00003  -0.00002  -0.00005   2.04744
   R91        2.89109  -0.00076  -0.00030  -0.00090  -0.00120   2.88990
   R92        2.89233  -0.00029   0.00045  -0.00073  -0.00028   2.89205
   R93        2.12276  -0.00021   0.00062   0.00013   0.00075   2.12352
   R94        2.07436  -0.00022   0.00013   0.00093   0.00106   2.07542
   R95        2.08216  -0.00055   0.00125  -0.00179  -0.00054   2.08162
   R96        2.07604  -0.00022   0.00050  -0.00144  -0.00094   2.07511
   R97        2.07391  -0.00009   0.00032   0.00006   0.00038   2.07429
   R98        2.08015   0.00008  -0.00018  -0.00003  -0.00021   2.07994
   R99        2.06948  -0.00006   0.00006  -0.00011  -0.00005   2.06942
   R100       3.27827   0.00016  -0.00056   0.00134   0.00077   3.27904
   R101       2.04061   0.00005  -0.00034   0.00044   0.00011   2.04072
    A1        1.93466   0.00001   0.00011   0.00000   0.00011   1.93477
    A2        1.94434   0.00002  -0.00027  -0.00003  -0.00030   1.94404
    A3        1.96081  -0.00001   0.00002  -0.00036  -0.00035   1.96046
    A4        1.87452  -0.00002   0.00025   0.00008   0.00033   1.87485
    A5        1.87003  -0.00001   0.00034   0.00008   0.00042   1.87045
    A6        1.87537   0.00002  -0.00043   0.00026  -0.00017   1.87520
    A7        1.95140  -0.00003   0.00012   0.00006   0.00017   1.95157
    A8        1.92271   0.00004  -0.00118  -0.00047  -0.00165   1.92106
    A9        1.88993  -0.00004   0.00034   0.00005   0.00039   1.89033
   A10        1.92942   0.00000   0.00129   0.00016   0.00145   1.93087
   A11        1.88904   0.00002  -0.00028   0.00018  -0.00010   1.88894
   A12        1.87913   0.00000  -0.00031   0.00004  -0.00027   1.87887
   A13        1.96238  -0.00002   0.00050   0.00026   0.00077   1.96315
   A14        1.94595   0.00003   0.00015  -0.00015   0.00000   1.94595
   A15        1.93455  -0.00001  -0.00008  -0.00006  -0.00014   1.93441
   A16        1.87529   0.00000  -0.00007  -0.00011  -0.00018   1.87511
   A17        1.86796   0.00001  -0.00050  -0.00001  -0.00051   1.86745
   A18        1.87333  -0.00002  -0.00005   0.00006   0.00002   1.87335
   A19        2.20753   0.00005  -0.00043   0.00062   0.00018   2.20771
   A20        2.11870   0.00000   0.00028  -0.00033  -0.00006   2.11864
   A21        1.95696  -0.00005   0.00015  -0.00028  -0.00014   1.95682
   A22        1.96006   0.00003  -0.00017   0.00046   0.00029   1.96035
   A23        2.04002   0.00008  -0.00010  -0.00163  -0.00173   2.03829
   A24        2.01148   0.00004  -0.00011  -0.00002  -0.00013   2.01135
   A25        2.23163  -0.00012   0.00022   0.00164   0.00186   2.23349
   A26        1.99236  -0.00015   0.00025   0.00034   0.00059   1.99295
   A27        1.91925  -0.00006   0.00094   0.00035   0.00129   1.92054
   A28        1.91454   0.00020  -0.00149  -0.00063  -0.00212   1.91242
   A29        1.91458   0.00006   0.00029  -0.00123  -0.00094   1.91364
   A30        1.87750  -0.00004   0.00031   0.00115   0.00146   1.87896
   A31        1.83892   0.00000  -0.00038   0.00000  -0.00038   1.83855
   A32        1.99273   0.00023   0.00075  -0.00227  -0.00150   1.99123
   A33        2.12654  -0.00020   0.00133  -0.00163  -0.00027   2.12627
   A34        2.01727  -0.00003   0.00122  -0.00122   0.00002   2.01729
   A35        1.89811   0.00005  -0.00049   0.00072   0.00023   1.89834
   A36        1.92281   0.00001   0.00085  -0.00054   0.00031   1.92312
   A37        1.96460   0.00005  -0.00029   0.00069   0.00040   1.96500
   A38        1.88577  -0.00004   0.00014   0.00028   0.00042   1.88619
   A39        1.90239  -0.00005   0.00013  -0.00051  -0.00037   1.90202
   A40        1.88853  -0.00002  -0.00033  -0.00066  -0.00099   1.88754
   A41        2.11928   0.00010  -0.00025   0.00131   0.00111   2.12038
   A42        2.05545  -0.00009   0.00003   0.00030   0.00037   2.05582
   A43        2.10810   0.00000   0.00024  -0.00171  -0.00142   2.10668
   A44        2.03429  -0.00004   0.00186   0.00014   0.00184   2.03613
   A45        2.07154   0.00003   0.00353  -0.00060   0.00276   2.07430
   A46        1.97428  -0.00005   0.00350  -0.00215   0.00118   1.97546
   A47        1.89081  -0.00005  -0.00123  -0.00084  -0.00206   1.88875
   A48        1.90718  -0.00103  -0.00004   0.00083   0.00079   1.90797
   A49        1.89167   0.00019  -0.00036   0.00201   0.00164   1.89331
   A50        1.94872   0.00147   0.00109   0.00093   0.00203   1.95075
   A51        1.93082  -0.00075  -0.00001  -0.00053  -0.00054   1.93028
   A52        1.89376   0.00014   0.00051  -0.00232  -0.00181   1.89194
   A53        2.13321   0.00015   0.00089  -0.00013   0.00074   2.13395
   A54        2.03099  -0.00064  -0.00036   0.00047   0.00010   2.03109
   A55        2.11834   0.00044  -0.00034  -0.00057  -0.00092   2.11742
   A56        2.10855   0.00153   0.00013   0.00053   0.00067   2.10922
   A57        2.12161  -0.00059   0.00053  -0.00118  -0.00065   2.12096
   A58        2.03434  -0.00067   0.00018  -0.00084  -0.00065   2.03369
   A59        1.91178  -0.00096   0.00054  -0.00027   0.00027   1.91204
   A60        1.93160   0.00280   0.00043   0.00019   0.00062   1.93221
   A61        1.87812  -0.00076   0.00057  -0.00018   0.00040   1.87852
   A62        1.95484  -0.00190  -0.00051  -0.00006  -0.00057   1.95427
   A63        1.88490   0.00070  -0.00077   0.00078   0.00001   1.88491
   A64        1.90038   0.00012  -0.00025  -0.00046  -0.00071   1.89967
   A65        1.99291   0.00020  -0.00081   0.00099   0.00017   1.99308
   A66        1.89582  -0.00010   0.00078   0.00067   0.00145   1.89727
   A67        1.89833   0.00000  -0.00044  -0.00044  -0.00088   1.89745
   A68        1.91818  -0.00008   0.00073  -0.00077  -0.00004   1.91814
   A69        1.92467  -0.00007  -0.00028  -0.00047  -0.00076   1.92391
   A70        1.82627   0.00003   0.00012  -0.00005   0.00007   1.82634
   A71        2.09571  -0.00008   0.00021   0.00008   0.00029   2.09600
   A72        2.10225   0.00006  -0.00023  -0.00007  -0.00031   2.10194
   A73        2.08521   0.00002   0.00002  -0.00001   0.00001   2.08522
   A74        2.09705   0.00000   0.00000   0.00003   0.00003   2.09708
   A75        2.09629   0.00001  -0.00005   0.00011   0.00006   2.09635
   A76        2.08978  -0.00001   0.00005  -0.00015  -0.00010   2.08968
   A77        2.09860   0.00001  -0.00004  -0.00004  -0.00009   2.09852
   A78        2.09068  -0.00001   0.00005   0.00002   0.00007   2.09075
   A79        2.09390  -0.00001  -0.00001   0.00002   0.00001   2.09391
   A80        2.08980  -0.00001   0.00002   0.00002   0.00005   2.08985
   A81        2.09634   0.00002  -0.00012   0.00002  -0.00011   2.09624
   A82        2.09703  -0.00001   0.00010  -0.00004   0.00006   2.09709
   A83        2.09912   0.00000  -0.00002   0.00001  -0.00002   2.09911
   A84        2.09288   0.00000   0.00004  -0.00014  -0.00010   2.09278
   A85        2.09118   0.00000  -0.00002   0.00013   0.00012   2.09130
   A86        2.09654  -0.00002   0.00002  -0.00001   0.00001   2.09655
   A87        2.09749   0.00001   0.00000   0.00005   0.00005   2.09754
   A88        2.08914   0.00001  -0.00002  -0.00004  -0.00006   2.08908
   A89        1.95529   0.00263   0.00066  -0.00021   0.00045   1.95574
   A90        1.92343  -0.00038  -0.00024  -0.00019  -0.00044   1.92300
   A91        1.90881  -0.00122  -0.00071   0.00064  -0.00007   1.90874
   A92        1.89255  -0.00100   0.00081  -0.00051   0.00030   1.89285
   A93        1.93882  -0.00064  -0.00005  -0.00121  -0.00127   1.93755
   A94        1.84154   0.00047  -0.00053   0.00158   0.00105   1.84260
   A95        1.84029  -0.00043   0.00116   0.00257   0.00371   1.84401
   A96        1.96103   0.00018  -0.00161  -0.00019  -0.00180   1.95923
   A97        1.95945   0.00011   0.00097  -0.00151  -0.00054   1.95891
   A98        1.84547  -0.00029   0.00039  -0.00211  -0.00171   1.84376
   A99        1.90871   0.00051  -0.00123  -0.00007  -0.00130   1.90741
   A100       1.94180  -0.00010   0.00031   0.00134   0.00165   1.94345
   A101       1.92257   0.00013  -0.00059   0.00054  -0.00005   1.92253
   A102       1.93650   0.00006  -0.00013  -0.00075  -0.00089   1.93561
   A103       1.90157  -0.00009   0.00166   0.00143   0.00309   1.90466
   A104       1.89806   0.00010  -0.00217   0.00305   0.00088   1.89895
   A105       1.96530   0.00001   0.00376  -0.00239   0.00136   1.96666
   A106       1.91847  -0.00012  -0.00025   0.00037   0.00012   1.91859
   A107       1.84058   0.00004  -0.00317  -0.00154  -0.00470   1.83588
   A108       1.95281   0.00001   0.00028  -0.00163  -0.00135   1.95146
   A109       1.91804  -0.00002   0.00149  -0.00041   0.00108   1.91912
   A110       1.91704  -0.00015   0.00134   0.00189   0.00323   1.92027
   A111       1.92421   0.00006  -0.00150  -0.00007  -0.00157   1.92264
   A112       1.92094   0.00007  -0.00084   0.00262   0.00177   1.92271
   A113       1.82674   0.00003  -0.00082  -0.00241  -0.00323   1.82352
   A114       2.09311   0.00005  -0.00028  -0.00103  -0.00132   2.09180
   A115       2.10076  -0.00007   0.00030   0.00089   0.00119   2.10195
   A116       2.08931   0.00002  -0.00002   0.00014   0.00012   2.08943
   A117       2.09510  -0.00005   0.00011  -0.00015  -0.00004   2.09506
   A118       2.08921  -0.00001  -0.00024   0.00014  -0.00010   2.08912
   A119       2.09887   0.00006   0.00013   0.00001   0.00013   2.09900
   A120       2.09816   0.00003  -0.00010  -0.00008  -0.00017   2.09798
   A121       2.09125  -0.00003   0.00005   0.00011   0.00016   2.09141
   A122       2.09378   0.00000   0.00005  -0.00004   0.00001   2.09379
   A123       2.09107   0.00000   0.00005   0.00007   0.00012   2.09119
   A124       2.09600   0.00001  -0.00003  -0.00003  -0.00006   2.09594
   A125       2.09612  -0.00001  -0.00002  -0.00004  -0.00006   2.09606
   A126       2.09874   0.00000  -0.00001   0.00007   0.00006   2.09881
   A127       2.09296  -0.00001  -0.00001  -0.00017  -0.00018   2.09278
   A128       2.09148   0.00001   0.00002   0.00010   0.00012   2.09160
   A129       2.09399   0.00000  -0.00004  -0.00006  -0.00010   2.09390
   A130       2.09809   0.00001  -0.00005  -0.00046  -0.00051   2.09758
   A131       2.09110  -0.00001   0.00009   0.00052   0.00061   2.09171
   A132       2.15919  -0.00010   0.00209  -0.00244  -0.00125   2.15794
   A133       2.02407   0.00001  -0.00409  -0.00442  -0.00943   2.01463
   A134       2.07596   0.00005  -0.00374  -0.00313  -0.00780   2.06816
   A135       2.27673  -0.00005   0.00166  -0.00069   0.00090   2.27763
   A136       1.87160  -0.00004  -0.00041  -0.00046  -0.00094   1.87065
   A137       2.13386   0.00010  -0.00145   0.00069  -0.00084   2.13303
   A138       2.02441  -0.00024  -0.00015   0.00179   0.00164   2.02605
   A139       1.89710  -0.00015   0.00023  -0.00109  -0.00086   1.89624
   A140       1.77096   0.00001  -0.00027  -0.00030  -0.00057   1.77038
   A141       1.90881   0.00003  -0.00029  -0.00032  -0.00061   1.90820
   A142       1.96235   0.00008  -0.00043   0.00058   0.00015   1.96250
   A143       1.98627   0.00010   0.00064   0.00038   0.00102   1.98729
   A144       1.92533  -0.00008   0.00001   0.00060   0.00062   1.92595
   A145       2.24750   0.00005  -0.00157   0.00060  -0.00096   2.24653
   A146       2.12548  -0.00004   0.00169  -0.00065   0.00103   2.12651
   A147       1.91007  -0.00001  -0.00009  -0.00004  -0.00013   1.90993
   A148       2.01399  -0.00003   0.00017  -0.00021  -0.00004   2.01395
   A149       2.20917   0.00003  -0.00016   0.00068   0.00051   2.20968
   A150       2.06002   0.00000  -0.00001  -0.00047  -0.00048   2.05955
   A151       1.95392   0.00003  -0.00056   0.00020  -0.00036   1.95356
   A152       1.96983  -0.00003   0.00036  -0.00007   0.00028   1.97011
   A153       2.18977   0.00007  -0.00126   0.00036  -0.00090   2.18887
   A154       2.12358  -0.00004   0.00092  -0.00030   0.00062   2.12420
   A155       1.57687   0.00003   0.00018   0.00007   0.00025   1.57712
   A156       1.97059  -0.00026  -0.00091   0.00075  -0.00017   1.97042
   A157       1.91502   0.00022   0.00118  -0.00087   0.00031   1.91533
   A158       1.85549   0.00003  -0.00017  -0.00058  -0.00075   1.85474
   A159       1.94025   0.00033  -0.00086   0.00076  -0.00011   1.94014
   A160       1.88642  -0.00034   0.00012  -0.00043  -0.00031   1.88611
   A161       1.89238  -0.00001   0.00073   0.00032   0.00105   1.89343
   A162       1.95667  -0.00016  -0.00183  -0.00172  -0.00356   1.95311
   A163       1.96208   0.00070  -0.00048  -0.00074  -0.00123   1.96085
   A164       1.94448  -0.00023  -0.00033   0.00210   0.00175   1.94624
   A165       1.85881  -0.00034  -0.00118   0.00314   0.00197   1.86077
   A166       1.85554   0.00020  -0.00094  -0.00650  -0.00745   1.84809
   A167       1.88024  -0.00020   0.00496   0.00365   0.00859   1.88883
   A168       1.93475  -0.00014   0.00044  -0.00008   0.00036   1.93510
   A169       1.96465   0.00003   0.00024   0.00016   0.00040   1.96504
   A170       1.95563   0.00006  -0.00022   0.00018  -0.00004   1.95559
   A171       1.85500   0.00004  -0.00143  -0.00121  -0.00264   1.85236
   A172       1.86490   0.00002   0.00033  -0.00125  -0.00092   1.86398
   A173       1.88321  -0.00001   0.00060   0.00210   0.00270   1.88591
   A174       1.91570  -0.00003   0.00009  -0.00003   0.00006   1.91575
   A175       2.24098   0.00006  -0.00013   0.00225   0.00212   2.24309
   A176       2.12648  -0.00004   0.00005  -0.00223  -0.00218   2.12430
   A177       1.58057   0.00001   0.00005  -0.00013  -0.00007   1.58050
    D1        1.06703   0.00000  -0.00605   0.00260  -0.00346   1.06358
    D2       -3.06342   0.00001  -0.00516   0.00250  -0.00266  -3.06608
    D3       -1.01259   0.00002  -0.00600   0.00231  -0.00369  -1.01627
    D4       -3.12983  -0.00001  -0.00584   0.00268  -0.00316  -3.13299
    D5       -0.97710   0.00000  -0.00495   0.00258  -0.00237  -0.97947
    D6        1.07373   0.00001  -0.00578   0.00239  -0.00339   1.07034
    D7       -1.02459   0.00001  -0.00657   0.00274  -0.00383  -1.02842
    D8        1.12814   0.00003  -0.00568   0.00264  -0.00304   1.12510
    D9       -3.10421   0.00003  -0.00651   0.00245  -0.00406  -3.10827
   D10        0.99442   0.00002  -0.00382   0.00835   0.00454   0.99895
   D11        3.10181   0.00003  -0.00345   0.00829   0.00484   3.10665
   D12       -1.09555   0.00002  -0.00346   0.00822   0.00476  -1.09079
   D13       -1.15451  -0.00001  -0.00331   0.00881   0.00550  -1.14901
   D14        0.95288   0.00000  -0.00294   0.00874   0.00580   0.95869
   D15        3.03870  -0.00001  -0.00295   0.00868   0.00573   3.04443
   D16        3.07456  -0.00003  -0.00350   0.00856   0.00506   3.07962
   D17       -1.10122  -0.00002  -0.00313   0.00849   0.00536  -1.09586
   D18        0.98460  -0.00003  -0.00315   0.00843   0.00528   0.98988
   D19        1.98950   0.00001  -0.02331  -0.00597  -0.02929   1.96022
   D20       -1.15021   0.00003  -0.01900  -0.00649  -0.02549  -1.17570
   D21       -2.12819   0.00001  -0.02309  -0.00612  -0.02922  -2.15741
   D22        1.01529   0.00002  -0.01878  -0.00664  -0.02542   0.98986
   D23       -0.06801   0.00004  -0.02289  -0.00579  -0.02869  -0.09669
   D24        3.07546   0.00005  -0.01858  -0.00631  -0.02489   3.05058
   D25       -3.13750   0.00001   0.00230   0.00003   0.00234  -3.13516
   D26        0.00236  -0.00001  -0.00167   0.00051  -0.00116   0.00120
   D27        3.13633   0.00000  -0.00188  -0.00007  -0.00195   3.13438
   D28       -0.00363   0.00002   0.00186  -0.00052   0.00134  -0.00228
   D29        3.13180  -0.00002   0.00088  -0.00088  -0.00001   3.13179
   D30        0.00066  -0.00001   0.00052  -0.00022   0.00030   0.00096
   D31        2.14031   0.00003  -0.01165   0.00787  -0.00378   2.13654
   D32       -1.98260  -0.00004  -0.01036   0.00678  -0.00358  -1.98618
   D33        0.03204   0.00003  -0.01113   0.00662  -0.00451   0.02753
   D34       -1.01326   0.00002  -0.01125   0.00710  -0.00415  -1.01740
   D35        1.14702  -0.00006  -0.00996   0.00601  -0.00395   1.14307
   D36       -3.12153   0.00002  -0.01073   0.00584  -0.00489  -3.12641
   D37       -0.00338   0.00002   0.00090  -0.00018   0.00072  -0.00266
   D38       -3.13643   0.00000  -0.00091   0.00243   0.00152  -3.13492
   D39       -3.13317   0.00003   0.00051   0.00059   0.00110  -3.13207
   D40        0.01697   0.00001  -0.00131   0.00320   0.00189   0.01886
   D41       -1.24525  -0.00011  -0.00657  -0.00269  -0.00926  -1.25450
   D42        1.31536  -0.00010  -0.00014  -0.01228  -0.01241   1.30295
   D43        2.87516   0.00003  -0.00821  -0.00244  -0.01065   2.86451
   D44       -0.84742   0.00004  -0.00178  -0.01203  -0.01381  -0.86123
   D45        0.88350   0.00002  -0.00808  -0.00243  -0.01051   0.87299
   D46       -2.83908   0.00003  -0.00165  -0.01202  -0.01366  -2.85274
   D47       -1.19838  -0.00001  -0.00204   0.00024  -0.00180  -1.20018
   D48        3.02103   0.00001  -0.00241  -0.00022  -0.00262   3.01841
   D49        0.91153  -0.00001  -0.00239   0.00055  -0.00185   0.90968
   D50        2.48646   0.00005  -0.00811   0.00932   0.00121   2.48768
   D51        0.42269   0.00006  -0.00847   0.00886   0.00039   0.42308
   D52       -1.68681   0.00005  -0.00846   0.00962   0.00116  -1.68565
   D53       -2.87117  -0.00004   0.00696   0.00275   0.00971  -2.86146
   D54        0.29921  -0.00026   0.00061   0.00665   0.00726   0.30647
   D55       -0.31810   0.00005   0.01334  -0.00729   0.00604  -0.31206
   D56        2.85228  -0.00017   0.00699  -0.00339   0.00360   2.85588
   D57        2.79633   0.00006   0.00508  -0.01215  -0.00703   2.78929
   D58        0.34056   0.00016  -0.00852  -0.00749  -0.01604   0.32452
   D59       -0.31667  -0.00016  -0.00121  -0.00833  -0.00950  -0.32617
   D60       -2.77244  -0.00005  -0.01481  -0.00366  -0.01851  -2.79094
   D61       -1.74416   0.00061  -0.00579  -0.02315  -0.02896  -1.77312
   D62        2.41235  -0.00052  -0.00634  -0.02428  -0.03064   2.38171
   D63        0.35167  -0.00022  -0.00672  -0.02311  -0.02985   0.32182
   D64        0.74884   0.00054   0.00715  -0.02703  -0.01986   0.72898
   D65       -1.37784  -0.00060   0.00660  -0.02815  -0.02154  -1.39938
   D66        2.84467  -0.00029   0.00622  -0.02698  -0.02075   2.82392
   D67       -0.59562  -0.00004  -0.00343   0.01139   0.00795  -0.58767
   D68        2.50793  -0.00138   0.00120   0.00430   0.00550   2.51343
   D69        1.50537  -0.00044  -0.00361   0.01244   0.00883   1.51420
   D70       -1.67426  -0.00179   0.00102   0.00536   0.00638  -1.66788
   D71       -2.66682   0.00021  -0.00223   0.00976   0.00752  -2.65929
   D72        0.43673  -0.00114   0.00240   0.00268   0.00507   0.44181
   D73        1.22357  -0.00066  -0.00017  -0.02646  -0.02662   1.19695
   D74       -2.88484  -0.00024  -0.00106  -0.02559  -0.02665  -2.91149
   D75       -0.84194  -0.00012   0.00031  -0.02598  -0.02567  -0.86760
   D76       -0.86781  -0.00084   0.00070  -0.02655  -0.02585  -0.89366
   D77        1.30697  -0.00042  -0.00020  -0.02568  -0.02588   1.28109
   D78       -2.93332  -0.00030   0.00117  -0.02607  -0.02490  -2.95821
   D79       -3.00025  -0.00094  -0.00033  -0.02491  -0.02525  -3.02550
   D80       -0.82547  -0.00052  -0.00123  -0.02404  -0.02528  -0.85075
   D81        1.21743  -0.00040   0.00014  -0.02443  -0.02429   1.19314
   D82        3.10808   0.00184   0.00096   0.00393   0.00489   3.11297
   D83        0.18014   0.00046  -0.00391   0.01241   0.00850   0.18864
   D84       -0.07121   0.00050   0.00559  -0.00308   0.00251  -0.06870
   D85       -2.99915  -0.00089   0.00071   0.00541   0.00612  -2.99303
   D86        2.44101  -0.00106   0.00333   0.01527   0.01860   2.45961
   D87       -1.67844  -0.00223   0.00335   0.01514   0.01849  -1.65994
   D88        0.39607  -0.00095   0.00364   0.01459   0.01822   0.41430
   D89       -0.90397   0.00025   0.00801   0.00714   0.01516  -0.88881
   D90        1.25977  -0.00091   0.00803   0.00701   0.01505   1.27482
   D91       -2.94890   0.00037   0.00832   0.00646   0.01478  -2.93413
   D92        1.07658   0.00085  -0.00541   0.00478  -0.00062   1.07596
   D93       -1.07079   0.00088  -0.00638   0.00459  -0.00179  -1.07258
   D94       -3.04889   0.00091  -0.00670   0.00453  -0.00217  -3.05105
   D95       -1.07348  -0.00074  -0.00599   0.00477  -0.00121  -1.07470
   D96        3.06233  -0.00070  -0.00696   0.00458  -0.00238   3.05995
   D97        1.08423  -0.00068  -0.00728   0.00452  -0.00276   1.08148
   D98        3.11725  -0.00018  -0.00486   0.00486   0.00000   3.11726
   D99        0.96988  -0.00015  -0.00583   0.00467  -0.00116   0.96872
   D100      -1.00821  -0.00013  -0.00615   0.00461  -0.00154  -1.00975
   D101       1.15717   0.00039  -0.00426   0.00669   0.00243   1.15960
   D102      -0.95163   0.00016  -0.00557   0.00762   0.00205  -0.94958
   D103      -2.96852   0.00051  -0.00439   0.00546   0.00107  -2.96745
   D104      -2.98718  -0.00017  -0.00362   0.00644   0.00282  -2.98436
   D105       1.18720  -0.00040  -0.00493   0.00737   0.00244   1.18964
   D106      -0.82968  -0.00005  -0.00375   0.00520   0.00146  -0.82823
   D107      -0.90381  -0.00041  -0.00506   0.00708   0.00201  -0.90180
   D108      -3.01261  -0.00064  -0.00637   0.00801   0.00164  -3.01098
   D109       1.25369  -0.00029  -0.00519   0.00584   0.00065   1.25434
   D110      -1.59453   0.00002  -0.00149   0.00145  -0.00004  -1.59457
   D111       1.55448   0.00003  -0.00222   0.00259   0.00037   1.55485
   D112       0.54066  -0.00002  -0.00049   0.00244   0.00195   0.54261
   D113      -2.59351  -0.00001  -0.00122   0.00359   0.00237  -2.59114
   D114       2.54520  -0.00007  -0.00009   0.00167   0.00158   2.54678
   D115      -0.58897  -0.00006  -0.00082   0.00281   0.00199  -0.58698
   D116       3.13965   0.00001  -0.00052   0.00076   0.00024   3.13989
   D117      -0.01462   0.00001  -0.00088   0.00027  -0.00062  -0.01523
   D118      -0.00929   0.00000   0.00020  -0.00037  -0.00017  -0.00946
   D119       3.11963   0.00000  -0.00016  -0.00086  -0.00103   3.11860
   D120      -3.13976  -0.00001   0.00058  -0.00093  -0.00035  -3.14011
   D121       0.00705   0.00000   0.00009  -0.00103  -0.00094   0.00610
   D122       0.00921   0.00000  -0.00015   0.00021   0.00006   0.00927
   D123      -3.12717   0.00001  -0.00064   0.00010  -0.00053  -3.12770
   D124       0.00234   0.00000  -0.00015   0.00026   0.00011   0.00246
   D125       3.14029   0.00000  -0.00012  -0.00002  -0.00014   3.14016
   D126      -3.12662   0.00000   0.00022   0.00075   0.00096  -3.12566
   D127       0.01132   0.00000   0.00025   0.00047   0.00072   0.01204
   D128       0.00474   0.00000   0.00004   0.00002   0.00006   0.00480
   D129      -3.14132   0.00000   0.00015  -0.00021  -0.00006  -3.14137
   D130      -3.13320   0.00000   0.00001   0.00030   0.00031  -3.13290
   D131       0.00393   0.00000   0.00012   0.00007   0.00019   0.00412
   D132      -0.00482   0.00000   0.00001  -0.00018  -0.00017  -0.00499
   D133       3.13476   0.00000   0.00010  -0.00027  -0.00017   3.13459
   D134       3.14123   0.00000  -0.00010   0.00005  -0.00005   3.14118
   D135      -0.00236   0.00000  -0.00001  -0.00004  -0.00005  -0.00242
   D136      -0.00218   0.00000   0.00004   0.00007   0.00011  -0.00207
   D137       3.13423  -0.00001   0.00053   0.00017   0.00070   3.13493
   D138       3.14142   0.00000  -0.00004   0.00015   0.00011   3.14153
   D139      -0.00536  -0.00001   0.00044   0.00026   0.00070  -0.00466
   D140      -1.69433  -0.00082  -0.00073   0.00335   0.00261  -1.69172
   D141       2.58695  -0.00031  -0.00108   0.00446   0.00338   2.59033
   D142       0.38255  -0.00042  -0.00099   0.00404   0.00305   0.38560
   D143       0.43226  -0.00029  -0.00006   0.00262   0.00256   0.43481
   D144      -1.56965   0.00022  -0.00041   0.00373   0.00333  -1.56632
   D145       2.50914   0.00011  -0.00032   0.00331   0.00300   2.51213
   D146       2.44831  -0.00066  -0.00025   0.00355   0.00330   2.45161
   D147       0.44640  -0.00015  -0.00059   0.00466   0.00407   0.45047
   D148      -1.75800  -0.00026  -0.00051   0.00424   0.00374  -1.75426
   D149       2.33078  -0.00008   0.00536  -0.04830  -0.04293   2.28785
   D150      -1.87198  -0.00022   0.00427  -0.04829  -0.04403  -1.91601
   D151       0.22042  -0.00024   0.00420  -0.04794  -0.04373   0.17669
   D152      -1.22595  -0.00028  -0.01263  -0.01116  -0.02379  -1.24974
   D153       2.88401  -0.00028  -0.01845  -0.00863  -0.02708   2.85693
   D154       0.88619  -0.00033  -0.01444  -0.00919  -0.02363   0.86256
   D155       3.05849   0.00031  -0.01343  -0.01290  -0.02632   3.03216
   D156       0.88526   0.00032  -0.01924  -0.01036  -0.02961   0.85565
   D157      -1.11257   0.00027  -0.01523  -0.01093  -0.02616  -1.13872
   D158       0.98795  -0.00007  -0.01236  -0.01227  -0.02462   0.96333
   D159      -1.18528  -0.00006  -0.01817  -0.00974  -0.02791  -1.21319
   D160       3.10008  -0.00011  -0.01416  -0.01030  -0.02446   3.07562
   D161       2.95933   0.00004  -0.00749  -0.00940  -0.01689   2.94243
   D162      -1.18017   0.00010  -0.00816  -0.01091  -0.01907  -1.19924
   D163       0.82053   0.00005  -0.00755  -0.01297  -0.02052   0.80001
   D164      -1.18721  -0.00002  -0.00275  -0.00981  -0.01256  -1.19977
   D165       0.95648   0.00004  -0.00342  -0.01131  -0.01473   0.94175
   D166       2.95718  -0.00001  -0.00281  -0.01337  -0.01618   2.94100
   D167       0.85927  -0.00005  -0.00454  -0.01297  -0.01750   0.84176
   D168       3.00295   0.00002  -0.00520  -0.01447  -0.01967   2.98328
   D169      -1.27953  -0.00004  -0.00459  -0.01653  -0.02112  -1.30065
   D170       1.40707  -0.00008   0.01051  -0.01039   0.00017   1.40724
   D171      -1.49796   0.00012   0.03953   0.03858   0.07806  -1.41989
   D172      -0.74912  -0.00010   0.00691  -0.00883  -0.00188  -0.75100
   D173       2.62904   0.00010   0.03593   0.04014   0.07602   2.70505
   D174      -2.84125   0.00001   0.00713  -0.00696   0.00022  -2.84103
   D175       0.53691   0.00021   0.03615   0.04201   0.07811   0.61502
   D176       1.78192   0.00001   0.00251  -0.01456  -0.01205   1.76987
   D177      -1.36267   0.00000   0.00232  -0.01393  -0.01161  -1.37428
   D178      -0.35826  -0.00001   0.00148  -0.01286  -0.01138  -0.36964
   D179       2.78034  -0.00003   0.00129  -0.01222  -0.01094   2.76940
   D180      -2.36469  -0.00013   0.00382  -0.01141  -0.00759  -2.37229
   D181       0.77390  -0.00014   0.00362  -0.01077  -0.00715   0.76675
   D182       3.13517   0.00001  -0.00081   0.00086   0.00005   3.13523
   D183      -0.01066   0.00001  -0.00067   0.00051  -0.00015  -0.01082
   D184      -0.00344   0.00002  -0.00062   0.00023  -0.00039  -0.00383
   D185       3.13390   0.00002  -0.00048  -0.00012  -0.00060   3.13331
   D186      -3.13617   0.00000   0.00058  -0.00076  -0.00018  -3.13635
   D187       0.00330   0.00000   0.00048  -0.00049  -0.00001   0.00329
   D188       0.00244  -0.00001   0.00039  -0.00013   0.00026   0.00269
   D189      -3.14128  -0.00001   0.00029   0.00014   0.00043  -3.14085
   D190       0.00201  -0.00001   0.00040  -0.00020   0.00020   0.00221
   D191      -3.13978  -0.00001   0.00064  -0.00041   0.00024  -3.13954
   D192      -3.13532  -0.00001   0.00026   0.00015   0.00041  -3.13491
   D193       0.00608  -0.00001   0.00050  -0.00006   0.00045   0.00653
   D194       0.00045   0.00000   0.00005   0.00007   0.00012   0.00057
   D195      -3.14086   0.00000   0.00022   0.00007   0.00029  -3.14057
   D196      -3.14095   0.00000  -0.00020   0.00028   0.00008  -3.14087
   D197       0.00093   0.00000  -0.00002   0.00028   0.00025   0.00118
   D198      -0.00146   0.00000  -0.00027   0.00002  -0.00025  -0.00171
   D199       3.14098   0.00000  -0.00007  -0.00037  -0.00044   3.14054
   D200       3.13985   0.00001  -0.00045   0.00003  -0.00042   3.13943
   D201      -0.00090   0.00000  -0.00024  -0.00037  -0.00061  -0.00151
   D202       0.00001   0.00000   0.00005   0.00001   0.00006   0.00007
   D203      -3.13946   0.00000   0.00015  -0.00027  -0.00011  -3.13957
   D204       3.14076   0.00001  -0.00015   0.00040   0.00025   3.14101
   D205       0.00128   0.00000  -0.00005   0.00013   0.00008   0.00137
   D206       0.18680   0.00014   0.01925   0.04291   0.06211   0.24891
   D207      -3.00298   0.00022   0.01232   0.03192   0.04418  -2.95880
   D208       3.08523  -0.00007  -0.01066  -0.00758  -0.01819   3.06704
   D209      -0.10455   0.00001  -0.01759  -0.01858  -0.03611  -0.14066
   D210       3.00934  -0.00008   0.01704   0.01071   0.02774   3.03708
   D211      -0.17562  -0.00001   0.01090   0.00078   0.01169  -0.16393
   D212      -1.57754   0.00000   0.00109   0.00347   0.00456  -1.57299
   D213       2.63448  -0.00003   0.00161   0.00341   0.00503   2.63950
   D214       0.60051   0.00004   0.00185   0.00300   0.00486   0.60537
   D215      -0.83250  -0.00005  -0.03592  -0.04464  -0.08056  -0.91305
   D216       2.28923  -0.00004  -0.03361  -0.05124  -0.08484   2.20439
   D217       1.11387  -0.00009  -0.03633  -0.04533  -0.08166   1.03221
   D218      -2.04759  -0.00008  -0.03402  -0.05192  -0.08595  -2.13353
   D219      -2.96417  -0.00004  -0.03615  -0.04368  -0.07983  -3.04400
   D220       0.15755  -0.00003  -0.03384  -0.05028  -0.08412   0.07344
   D221       3.12710   0.00004  -0.00032  -0.00240  -0.00271   3.12439
   D222      -0.01078  -0.00002   0.00159  -0.00289  -0.00130  -0.01208
   D223       0.00342   0.00004  -0.00242   0.00356   0.00114   0.00456
   D224      -3.13446  -0.00003  -0.00052   0.00306   0.00255  -3.13191
   D225      -3.13382  -0.00003   0.00102   0.00167   0.00269  -3.13112
   D226      -0.00865  -0.00002   0.00291  -0.00377  -0.00086  -0.00951
   D227       0.00627  -0.00003   0.00022  -0.00106  -0.00084   0.00543
   D228      -3.13870   0.00003  -0.00151  -0.00061  -0.00212  -3.14082
   D229      -0.01292   0.00001   0.00209  -0.00197   0.00012  -0.01280
   D230       3.13177   0.00001  -0.00319   0.00280  -0.00039   3.13138
   D231       0.01274   0.00001  -0.00294   0.00338   0.00044   0.01318
   D232      -3.13182   0.00001   0.00210  -0.00118   0.00092  -3.13090
   D233      -0.83702   0.00011  -0.07846  -0.06774  -0.14619  -0.98321
   D234       1.25651   0.00005  -0.08160  -0.06543  -0.14704   1.10947
   D235      -2.91415   0.00012  -0.07579  -0.05974  -0.13553  -3.04968
   D236      -2.99796  -0.00025  -0.07867  -0.06773  -0.14639   3.13883
   D237      -0.90443  -0.00031  -0.08182  -0.06542  -0.14724  -1.05167
   D238       1.20809  -0.00024  -0.07600  -0.05973  -0.13573   1.07236
   D239       1.21034  -0.00022  -0.07912  -0.06829  -0.14741   1.06293
   D240      -2.97931  -0.00028  -0.08227  -0.06598  -0.14826  -3.12757
   D241      -0.86679  -0.00021  -0.07646  -0.06029  -0.13675  -1.00354
   D242       3.09676  -0.00004   0.00733  -0.00357   0.00376   3.10051
   D243      -1.11131  -0.00006   0.00597  -0.00506   0.00092  -1.11039
   D244       1.01506  -0.00001   0.00676  -0.00205   0.00471   1.01977
   D245      -0.99418   0.00003   0.00639  -0.00270   0.00369  -0.99049
   D246       1.08094   0.00001   0.00503  -0.00419   0.00085   1.08179
   D247      -3.07588   0.00006   0.00582  -0.00118   0.00464  -3.07124
   D248       1.07712  -0.00019   0.00648  -0.00259   0.00389   1.08101
   D249      -3.13094  -0.00021   0.00513  -0.00407   0.00105  -3.12989
   D250      -1.00458  -0.00016   0.00592  -0.00107   0.00485  -0.99973
   D251       0.00382  -0.00002  -0.00149   0.00038  -0.00112   0.00270
   D252       3.13754   0.00000   0.00018  -0.00200  -0.00182   3.13571
         Item               Value     Threshold  Converged?
 Maximum Force            0.002801     0.000450     NO 
 RMS     Force            0.000371     0.000300     NO 
 Maximum Displacement     0.464507     0.001800     NO 
 RMS     Displacement     0.073295     0.001200     NO 
 Predicted change in Energy=-1.865520D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -8.953030   -2.743466   -0.379110
      2          6           0       -8.960693   -1.248110   -0.713131
      3          6           0       -9.987350   -0.482789    0.126333
      4          6           0       -7.591829   -0.672905   -0.525266
      5          7           0       -6.799687   -0.219593   -1.468069
      6          6           0       -5.563536    0.251064   -0.953378
      7          6           0       -4.571577    0.782617   -1.952054
      8          7           0       -4.150556    2.181865   -1.704020
      9          6           0       -5.199815    3.193572   -2.001980
     10          6           0       -3.253661    2.519195   -0.657007
     11          8           0       -3.130546    3.674754   -0.266771
     12          7           0       -2.471123    1.473508   -0.090754
     13          6           0       -1.247558    1.880307    0.643312
     14          6           0       -0.032611    1.640092   -0.274592
     15          8           0        0.010146    0.711612   -1.074389
     16          7           0        0.999183    2.563456   -0.185620
     17          6           0        2.234779    2.407684   -0.999784
     18          6           0        2.700484    3.792291   -1.502865
     19          6           0        3.053830    4.759509   -0.406742
     20          6           0        2.077220    5.626681    0.108835
     21          6           0        2.403522    6.524234    1.128441
     22          6           0        3.704653    6.566716    1.639628
     23          6           0        4.681461    5.710452    1.122201
     24          6           0        4.360655    4.810426    0.102411
     25          6           0        3.335000    1.686981   -0.190207
     26          6           0        2.961447    0.231145    0.120968
     27          8           0        2.412617    0.246669    1.456209
     28          6           0        4.212382   -0.697523    0.191349
     29          6           0        4.806057   -0.925910   -1.209690
     30          6           0        6.157030   -1.582353   -1.143691
     31          6           0        6.278855   -2.956639   -1.398350
     32          6           0        7.533353   -3.569137   -1.345573
     33          6           0        8.671262   -2.816869   -1.036547
     34          6           0        8.550802   -1.447391   -0.779187
     35          6           0        7.299157   -0.828683   -0.831742
     36          7           0        3.839076   -1.967708    0.870302
     37          6           0        3.191626   -3.011781    0.238283
     38          8           0        3.013555   -3.229962   -0.943386
     39          8           0        2.796420   -3.916569    1.232903
     40          6           0        1.971620   -5.034403    0.791389
     41          6           0        0.550320   -4.638444    0.883557
     42          6           0       -0.125580   -4.112042    1.954042
     43          7           0       -1.483324   -3.814731    1.724264
     44          6           0       -1.850386   -4.113149    0.498493
     45         16           0       -0.528470   -4.769413   -0.474197
     46          6           0       -1.143713    1.062546    1.964949
     47          6           0       -0.857353   -0.420548    1.726020
     48          6           0       -0.087853    1.688883    2.878737
     49          6           0       -5.420289    0.149972    0.400921
     50         16           0       -6.852043   -0.545159    1.092132
     51          1           0       -9.930751   -3.194496   -0.585518
     52          1           0       -8.209198   -3.283366   -0.978137
     53          1           0       -8.725359   -2.933310    0.676647
     54          1           0       -9.235238   -1.129409   -1.800615
     55          1           0       -9.821637   -0.603277    1.203656
     56          1           0       -9.963815    0.592382   -0.091733
     57          1           0      -11.004065   -0.836525   -0.083175
     58          1           0       -3.672807    0.120946   -1.987973
     59          1           0       -5.014542    0.737946   -2.982306
     60          1           0       -5.363979    3.223897   -3.091497
     61          1           0       -4.865251    4.198675   -1.676666
     62          1           0       -6.156341    2.971457   -1.501424
     63          1           0       -2.354235    0.599157   -0.619455
     64          1           0       -1.335861    2.975803    0.907564
     65          1           0        1.029589    3.257891    0.558795
     66          1           0        1.973615    1.778467   -1.901175
     67          1           0        1.902820    4.224747   -2.147055
     68          1           0        3.565461    3.651309   -2.183934
     69          1           0        1.064521    5.610890   -0.293728
     70          1           0        1.641444    7.195371    1.523210
     71          1           0        3.956376    7.266391    2.433796
     72          1           0        5.697115    5.745780    1.513721
     73          1           0        5.129232    4.153022   -0.297480
     74          1           0        3.514150    2.217849    0.771229
     75          1           0        4.291382    1.741581   -0.742084
     76          1           0        2.197617   -0.169254   -0.586756
     77          1           0        1.549804   -0.247769    1.477842
     78          1           0        4.982100   -0.219784    0.861397
     79          1           0        4.105607   -1.545625   -1.825161
     80          1           0        4.875451    0.037869   -1.754537
     81          1           0        5.389202   -3.544109   -1.633332
     82          1           0        7.624229   -4.635459   -1.545665
     83          1           0        9.646999   -3.295418   -0.996917
     84          1           0        9.435286   -0.860698   -0.537564
     85          1           0        7.213431    0.236185   -0.632466
     86          1           0        3.824304   -1.931493    1.892945
     87          1           0        2.243298   -5.815082    1.533338
     88          1           0        2.286499   -5.343624   -0.227126
     89          1           0        0.282646   -3.903950    2.939456
     90          1           0       -2.846106   -3.982422    0.091881
     91          1           0       -2.145307    1.147561    2.467269
     92          1           0       -1.609889   -0.883210    1.073470
     93          1           0        0.120272   -0.586391    1.246278
     94          1           0       -0.880890   -0.991361    2.663804
     95          1           0       -0.028709    1.151273    3.833907
     96          1           0        0.922716    1.652356    2.444153
     97          1           0       -0.317382    2.732842    3.116839
     98          1           0       -4.580217    0.444568    1.012212
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0641556      0.0298782      0.0221534
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3560.5953048068 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.247529432322     A.U. after   19 cycles
             Convg  =    0.6863D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000037144   -0.000141182   -0.000065245
      2        6          -0.000078344   -0.000081221    0.000016797
      3        6           0.000055675   -0.000062291   -0.000017913
      4        6          -0.000130492    0.000078278   -0.000115626
      5        7           0.000233741    0.000055703    0.000072448
      6        6          -0.000252706   -0.000234973   -0.000090007
      7        6          -0.000072832    0.000435506    0.000441064
      8        7           0.000272386    0.000321211   -0.000090574
      9        6           0.000506495   -0.000323813   -0.000089145
     10        6           0.000313496   -0.000707272   -0.000390857
     11        8          -0.000178583    0.000246656   -0.000147423
     12        7          -0.000135434    0.000167243    0.000707405
     13        6          -0.000177922    0.000252762    0.000294913
     14        6          -0.000196854   -0.000456978   -0.000048232
     15        8           0.000069546    0.000117336    0.000184438
     16        7           0.000009108    0.000173188   -0.000207022
     17        6          -0.000784546    0.000281280    0.000964285
     18        6          -0.000142695   -0.000524176   -0.000004676
     19        6           0.000055212    0.000042482   -0.000092553
     20        6          -0.000010708    0.000181759   -0.000137931
     21        6          -0.000078261   -0.000076425    0.000015239
     22        6           0.000157409    0.000010458   -0.000035000
     23        6          -0.000001592   -0.000032131    0.000007123
     24        6          -0.000058100    0.000024883    0.000112414
     25        6           0.001087831    0.001048078    0.000141825
     26        6           0.000765536   -0.000482826   -0.001148212
     27        8          -0.001040952   -0.000245297    0.000316581
     28        6          -0.000647885   -0.000133268   -0.000201721
     29        6           0.000457066    0.000304954    0.000493027
     30        6          -0.000077175   -0.000045210    0.000140740
     31        6          -0.000438871   -0.000088006    0.000096906
     32        6           0.000169835   -0.000027513   -0.000068608
     33        6          -0.000034748   -0.000145067   -0.000100879
     34        6          -0.000258628    0.000028257    0.000100544
     35        6           0.000357038    0.000126702   -0.000181180
     36        7          -0.000702592    0.000107837   -0.000021282
     37        6          -0.000596067    0.000597913   -0.000444236
     38        8           0.000302544   -0.000551114    0.000314866
     39        8           0.000363617   -0.000061715    0.000144324
     40        6          -0.000167403   -0.000013626   -0.000279989
     41        6           0.000370800   -0.000130431    0.000011711
     42        6          -0.000105816   -0.000177263   -0.000055045
     43        7           0.000069533   -0.000003599    0.000025538
     44        6           0.000006778    0.000024231    0.000074678
     45       16          -0.000016355    0.000024321   -0.000098607
     46        6           0.000172640   -0.000149186    0.000127882
     47        6           0.000945082    0.000414858   -0.000431713
     48        6           0.000003601    0.000215020    0.000319831
     49        6          -0.000075031    0.000020073   -0.000145678
     50       16           0.000013313   -0.000008425    0.000050025
     51        1           0.000008189    0.000062009    0.000017479
     52        1          -0.000033853    0.000053388   -0.000000184
     53        1           0.000066585    0.000028693   -0.000020157
     54        1          -0.000002775    0.000094492    0.000125831
     55        1          -0.000036048    0.000059519    0.000002387
     56        1           0.000014906    0.000012525    0.000024696
     57        1           0.000009366    0.000004007   -0.000036000
     58        1           0.000036939   -0.000040831    0.000183755
     59        1          -0.000157615   -0.000156659   -0.000218863
     60        1           0.000016723    0.000035798   -0.000063698
     61        1          -0.000047240    0.000100511   -0.000021632
     62        1          -0.000067535   -0.000021517   -0.000037665
     63        1          -0.000259568    0.000082906   -0.000159038
     64        1           0.000192099    0.000052697   -0.000002662
     65        1           0.000072002    0.000039710   -0.000034912
     66        1           0.000235391   -0.000209904    0.000248316
     67        1           0.000116236    0.000043037    0.000055879
     68        1           0.000027241    0.000016755   -0.000151633
     69        1          -0.000031347   -0.000043226    0.000027504
     70        1           0.000015851   -0.000007039    0.000008516
     71        1          -0.000022592   -0.000025179    0.000006055
     72        1          -0.000040288   -0.000014715    0.000012459
     73        1          -0.000011092   -0.000002243   -0.000045023
     74        1           0.000055750   -0.000042657    0.000152035
     75        1          -0.000194180   -0.000045600   -0.000205235
     76        1          -0.000161307    0.000017544   -0.000068185
     77        1           0.000752634    0.000177821   -0.000296354
     78        1          -0.000155412    0.000512404   -0.000317917
     79        1           0.000014428   -0.000414402    0.000069823
     80        1           0.000083887   -0.000429118    0.000220491
     81        1           0.000198837    0.000231045    0.000028857
     82        1           0.000024781    0.000018882    0.000029405
     83        1          -0.000005698   -0.000030092    0.000016956
     84        1           0.000002550    0.000013495   -0.000001319
     85        1          -0.000049342   -0.000036437    0.000004707
     86        1           0.000392726   -0.000159130    0.000016973
     87        1          -0.000175666    0.000000602    0.000091319
     88        1          -0.000079934    0.000081643    0.000157564
     89        1           0.000028117    0.000120661    0.000042317
     90        1           0.000044110    0.000067022   -0.000080705
     91        1          -0.000404222   -0.000130969   -0.000019968
     92        1          -0.000176841   -0.000170111   -0.000218875
     93        1          -0.000141715    0.000010288    0.000497410
     94        1          -0.000366643   -0.000396625   -0.000319192
     95        1           0.000233018    0.000031221   -0.000117777
     96        1          -0.000117946   -0.000015363    0.000054427
     97        1          -0.000196993    0.000033281   -0.000101194
     98        1          -0.000041348   -0.000008118   -0.000022221
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001148212 RMS     0.000261222

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001187400 RMS     0.000167246
 Search for a local minimum.
 Step number  31 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   30   31
 DE= -2.11D-04 DEPred=-1.87D-04 R= 1.13D+00
 SS=  1.41D+00  RLast= 5.36D-01 DXNew= 2.9263D+00 1.6093D+00
 Trust test= 1.13D+00 RLast= 5.36D-01 DXMaxT set to 1.74D+00
     Eigenvalues ---    0.00026   0.00138   0.00213   0.00287   0.00322
     Eigenvalues ---    0.00408   0.00488   0.00584   0.00624   0.00665
     Eigenvalues ---    0.00723   0.00792   0.00904   0.00920   0.00949
     Eigenvalues ---    0.00968   0.01063   0.01091   0.01196   0.01239
     Eigenvalues ---    0.01280   0.01327   0.01359   0.01416   0.01427
     Eigenvalues ---    0.01440   0.01492   0.01574   0.01602   0.01661
     Eigenvalues ---    0.01676   0.01750   0.01848   0.01926   0.01990
     Eigenvalues ---    0.02082   0.02174   0.02194   0.02203   0.02216
     Eigenvalues ---    0.02220   0.02258   0.02269   0.02289   0.02314
     Eigenvalues ---    0.02328   0.02373   0.02406   0.02409   0.02415
     Eigenvalues ---    0.02448   0.02482   0.02485   0.02522   0.02527
     Eigenvalues ---    0.02529   0.02661   0.02699   0.02761   0.03328
     Eigenvalues ---    0.03347   0.03979   0.04050   0.04141   0.04200
     Eigenvalues ---    0.04297   0.04444   0.04593   0.04732   0.04820
     Eigenvalues ---    0.04938   0.04985   0.05043   0.05115   0.05200
     Eigenvalues ---    0.05220   0.05341   0.05384   0.05428   0.05488
     Eigenvalues ---    0.05535   0.05638   0.05673   0.05731   0.05768
     Eigenvalues ---    0.05845   0.05868   0.05927   0.05995   0.06029
     Eigenvalues ---    0.06240   0.06457   0.06530   0.06648   0.06907
     Eigenvalues ---    0.07133   0.07516   0.07640   0.08066   0.08141
     Eigenvalues ---    0.08641   0.09551   0.09735   0.09835   0.10370
     Eigenvalues ---    0.11950   0.12920   0.13047   0.13114   0.13555
     Eigenvalues ---    0.13833   0.13897   0.14308   0.15551   0.15633
     Eigenvalues ---    0.15669   0.15894   0.15947   0.15972   0.15979
     Eigenvalues ---    0.15997   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16001   0.16002   0.16006   0.16010
     Eigenvalues ---    0.16018   0.16033   0.16044   0.16063   0.16074
     Eigenvalues ---    0.16105   0.16210   0.16465   0.16479   0.16897
     Eigenvalues ---    0.17094   0.17662   0.17961   0.18016   0.18357
     Eigenvalues ---    0.18641   0.19111   0.19501   0.20319   0.21559
     Eigenvalues ---    0.21651   0.21850   0.21999   0.22000   0.22001
     Eigenvalues ---    0.22002   0.22073   0.22129   0.22333   0.22710
     Eigenvalues ---    0.22843   0.22963   0.23448   0.23487   0.23666
     Eigenvalues ---    0.23726   0.24025   0.24251   0.24545   0.24709
     Eigenvalues ---    0.24906   0.24982   0.25019   0.25067   0.25155
     Eigenvalues ---    0.25314   0.25456   0.25574   0.26996   0.29293
     Eigenvalues ---    0.29568   0.29672   0.29786   0.29921   0.30143
     Eigenvalues ---    0.30223   0.30437   0.30653   0.30817   0.30940
     Eigenvalues ---    0.31343   0.31427   0.31442   0.31496   0.31578
     Eigenvalues ---    0.31645   0.31681   0.31944   0.32020   0.32236
     Eigenvalues ---    0.32326   0.32438   0.32553   0.32590   0.32715
     Eigenvalues ---    0.32784   0.32834   0.32907   0.32949   0.33017
     Eigenvalues ---    0.33023   0.33061   0.33143   0.33182   0.33244
     Eigenvalues ---    0.33334   0.33485   0.33570   0.33586   0.33672
     Eigenvalues ---    0.33711   0.33903   0.33984   0.33993   0.34041
     Eigenvalues ---    0.34164   0.34240   0.34339   0.34379   0.34441
     Eigenvalues ---    0.34494   0.34591   0.34711   0.34919   0.35320
     Eigenvalues ---    0.36145   0.36249   0.36312   0.36375   0.36631
     Eigenvalues ---    0.36710   0.36842   0.36959   0.37174   0.38269
     Eigenvalues ---    0.38870   0.39297   0.39938   0.41217   0.41317
     Eigenvalues ---    0.41948   0.42497   0.42719   0.43264   0.43645
     Eigenvalues ---    0.43864   0.44265   0.45121   0.45816   0.47276
     Eigenvalues ---    0.47578   0.48365   0.48416   0.48610   0.48884
     Eigenvalues ---    0.49078   0.49430   0.49960   0.50546   0.50920
     Eigenvalues ---    0.51267   0.51450   0.52266   0.56381   0.57726
     Eigenvalues ---    0.58919   0.60638   0.62725   0.65177   0.76101
     Eigenvalues ---    0.79165   0.83816   1.500571000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    31   30   29   28   27
 RFO step:  Lambda=-3.53049271D-05.
 DIIS coeffs:      1.45934     -0.06334      0.00715     -0.16368     -0.23947
 Iteration  1 RMS(Cart)=  0.17810703 RMS(Int)=  0.00579841
 Iteration  2 RMS(Cart)=  0.01033381 RMS(Int)=  0.00037768
 Iteration  3 RMS(Cart)=  0.00007947 RMS(Int)=  0.00037414
 Iteration  4 RMS(Cart)=  0.00000012 RMS(Int)=  0.00037414
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89549  -0.00007   0.00030  -0.00005   0.00025   2.89574
    R2        2.07179   0.00005  -0.00026   0.00020  -0.00006   2.07173
    R3        2.07320   0.00005  -0.00017   0.00008  -0.00010   2.07311
    R4        2.07224  -0.00004   0.00017  -0.00010   0.00007   2.07232
    R5        2.89347   0.00003  -0.00033   0.00002  -0.00031   2.89316
    R6        2.82825   0.00006   0.00015   0.00008   0.00022   2.82847
    R7        2.13136  -0.00004   0.00006  -0.00017  -0.00011   2.13125
    R8        2.07234  -0.00003   0.00009  -0.00025  -0.00017   2.07217
    R9        2.07362  -0.00002   0.00007   0.00017   0.00023   2.07386
   R10        2.07245   0.00001   0.00002  -0.00002   0.00000   2.07245
   R11        2.47969  -0.00010   0.00014  -0.00025  -0.00011   2.47958
   R12        3.36964   0.00006  -0.00039   0.00093   0.00054   3.37018
   R13        2.68214   0.00016   0.00020   0.00056   0.00076   2.68290
   R14        2.84332  -0.00030   0.00098  -0.00010   0.00088   2.84420
   R15        2.58061  -0.00016  -0.00022  -0.00074  -0.00096   2.57965
   R16        2.80080   0.00028  -0.00052   0.00052   0.00000   2.80080
   R17        2.11014   0.00002  -0.00014  -0.00030  -0.00044   2.10970
   R18        2.12090   0.00000   0.00029   0.00027   0.00055   2.12145
   R19        2.81136   0.00047  -0.00051   0.00037  -0.00015   2.81121
   R20        2.68211   0.00038   0.00023  -0.00180  -0.00157   2.68054
   R21        2.08292   0.00007  -0.00038  -0.00034  -0.00071   2.08220
   R22        2.09410  -0.00009   0.00040  -0.00013   0.00027   2.09437
   R23        2.08285  -0.00008   0.00044   0.00046   0.00090   2.08375
   R24        2.31656  -0.00022   0.00048   0.00039   0.00088   2.31744
   R25        2.69010   0.00076  -0.00346   0.00029  -0.00317   2.68694
   R26        2.80384   0.00008  -0.00167  -0.00121  -0.00288   2.80096
   R27        1.94346   0.00018  -0.00082   0.00098   0.00015   1.94361
   R28        2.91309  -0.00006   0.00031  -0.00043  -0.00012   2.91296
   R29        2.94351  -0.00017   0.00108   0.00039   0.00147   2.94498
   R30        2.13609   0.00005   0.00000   0.00055   0.00055   2.13664
   R31        2.31719   0.00007   0.00024   0.00051   0.00076   2.31795
   R32        2.62197  -0.00011   0.00058   0.00004   0.00062   2.62259
   R33        2.81171  -0.00011   0.00017   0.00026   0.00043   2.81214
   R34        1.92466  -0.00002   0.00044   0.00124   0.00168   1.92634
   R35        2.91968   0.00041  -0.00134   0.00053  -0.00081   2.91887
   R36        2.91858  -0.00109   0.00264  -0.00093   0.00170   2.92029
   R37        2.13516  -0.00030   0.00059  -0.00109  -0.00050   2.13466
   R38        2.84204  -0.00008   0.00033   0.00032   0.00065   2.84270
   R39        2.10284   0.00006  -0.00062  -0.00028  -0.00090   2.10194
   R40        2.09744   0.00004   0.00034   0.00027   0.00061   2.09805
   R41        2.65342  -0.00005  -0.00002  -0.00017  -0.00020   2.65322
   R42        2.65210   0.00007  -0.00015   0.00010  -0.00006   2.65205
   R43        2.63999   0.00008  -0.00011   0.00028   0.00017   2.64016
   R44        2.05960  -0.00006  -0.00006  -0.00027  -0.00032   2.05928
   R45        2.64296  -0.00005   0.00008  -0.00011  -0.00003   2.64293
   R46        2.05887   0.00002  -0.00006  -0.00003  -0.00009   2.05878
   R47        2.64229   0.00008  -0.00012   0.00021   0.00009   2.64238
   R48        2.05591   0.00002   0.00000   0.00012   0.00012   2.05603
   R49        2.64084   0.00007  -0.00010  -0.00008  -0.00019   2.64066
   R50        2.05806   0.00004  -0.00002   0.00013   0.00011   2.05817
   R51        2.05521   0.00001   0.00010   0.00014   0.00024   2.05544
   R52        2.90049  -0.00119   0.00278  -0.00041   0.00238   2.90286
   R53        2.10285   0.00010  -0.00105  -0.00008  -0.00113   2.10172
   R54        2.08917   0.00027  -0.00076  -0.00045  -0.00120   2.08796
   R55        2.72823  -0.00012   0.00020  -0.00035  -0.00015   2.72809
   R56        2.94713   0.00065  -0.00241   0.00077  -0.00164   2.94550
   R57        2.10823  -0.00003  -0.00017   0.00055   0.00038   2.10861
   R58        1.87967   0.00048  -0.00197   0.00050  -0.00147   1.87820
   R59        2.90767  -0.00104   0.00176  -0.00053   0.00123   2.90891
   R60        2.81163  -0.00013   0.00056   0.00020   0.00076   2.81240
   R61        2.12933  -0.00046   0.00208  -0.00039   0.00170   2.13103
   R62        2.84113   0.00012  -0.00032   0.00025  -0.00007   2.84106
   R63        2.11572  -0.00040   0.00189   0.00108   0.00297   2.11869
   R64        2.09627  -0.00006  -0.00091  -0.00171  -0.00262   2.09365
   R65        2.65125   0.00014  -0.00018   0.00060   0.00042   2.65167
   R66        2.65221  -0.00006   0.00019  -0.00026  -0.00008   2.65214
   R67        2.64001  -0.00009   0.00035  -0.00015   0.00020   2.64021
   R68        2.06302   0.00030  -0.00084   0.00045  -0.00039   2.06263
   R69        2.64308   0.00013  -0.00029   0.00022  -0.00008   2.64300
   R70        2.05741   0.00002  -0.00014  -0.00013  -0.00027   2.05713
   R71        2.64306  -0.00013   0.00032  -0.00008   0.00023   2.64329
   R72        2.05506   0.00001  -0.00008  -0.00001  -0.00009   2.05498
   R73        2.64033   0.00020  -0.00050   0.00011  -0.00039   2.63994
   R74        2.05703  -0.00001  -0.00001  -0.00001  -0.00002   2.05701
   R75        2.05364   0.00000  -0.00008  -0.00009  -0.00017   2.05347
   R76        2.61078  -0.00003   0.00264   0.00274   0.00537   2.61616
   R77        1.93393   0.00021   0.00197   0.00275   0.00473   1.93865
   R78        2.29557  -0.00066   0.00082  -0.00019   0.00062   2.29620
   R79        2.64838   0.00009  -0.00187  -0.00182  -0.00370   2.64468
   R80        2.75458  -0.00004   0.00059  -0.00039   0.00020   2.75479
   R81        2.79358   0.00039  -0.00102   0.00052  -0.00051   2.79307
   R82        2.09901   0.00014  -0.00056   0.00026  -0.00030   2.09871
   R83        2.09763   0.00001  -0.00046  -0.00022  -0.00067   2.09696
   R84        2.59098   0.00001   0.00054   0.00050   0.00103   2.59201
   R85        3.28640   0.00007  -0.00083  -0.00020  -0.00103   3.28538
   R86        2.66221   0.00013  -0.00080  -0.00035  -0.00115   2.66106
   R87        2.05363  -0.00008   0.00009  -0.00018  -0.00009   2.05354
   R88        2.48289   0.00008   0.00081   0.00049   0.00129   2.48418
   R89        3.34021   0.00001  -0.00169  -0.00054  -0.00223   3.33798
   R90        2.04744   0.00009  -0.00016  -0.00008  -0.00024   2.04720
   R91        2.88990  -0.00047  -0.00008  -0.00120  -0.00127   2.88862
   R92        2.89205  -0.00019   0.00011  -0.00010   0.00002   2.89207
   R93        2.12352  -0.00039   0.00131  -0.00038   0.00093   2.12445
   R94        2.07542  -0.00019   0.00191   0.00096   0.00287   2.07829
   R95        2.08162  -0.00001   0.00015  -0.00086  -0.00071   2.08092
   R96        2.07511  -0.00027  -0.00034  -0.00208  -0.00243   2.07268
   R97        2.07429  -0.00013   0.00075  -0.00008   0.00068   2.07496
   R98        2.07994   0.00009  -0.00033   0.00036   0.00003   2.07997
   R99        2.06942  -0.00009  -0.00002  -0.00008  -0.00011   2.06932
   R100       3.27904   0.00005   0.00037   0.00128   0.00165   3.28069
   R101       2.04072   0.00002  -0.00014   0.00017   0.00004   2.04075
    A1        1.93477   0.00002   0.00008   0.00001   0.00009   1.93486
    A2        1.94404   0.00003  -0.00017   0.00010  -0.00007   1.94397
    A3        1.96046  -0.00002  -0.00033  -0.00015  -0.00048   1.95998
    A4        1.87485  -0.00004   0.00043  -0.00059  -0.00016   1.87469
    A5        1.87045  -0.00002   0.00046  -0.00001   0.00045   1.87090
    A6        1.87520   0.00002  -0.00043   0.00064   0.00021   1.87541
    A7        1.95157  -0.00005   0.00020  -0.00031  -0.00010   1.95147
    A8        1.92106   0.00007  -0.00141  -0.00009  -0.00151   1.91955
    A9        1.89033  -0.00005   0.00092  -0.00005   0.00087   1.89119
   A10        1.93087   0.00000   0.00101   0.00035   0.00135   1.93222
   A11        1.88894   0.00003  -0.00028   0.00002  -0.00026   1.88868
   A12        1.87887   0.00001  -0.00044   0.00009  -0.00035   1.87852
   A13        1.96315  -0.00007   0.00093  -0.00012   0.00081   1.96395
   A14        1.94595   0.00005  -0.00037   0.00012  -0.00026   1.94569
   A15        1.93441   0.00000  -0.00001  -0.00024  -0.00025   1.93417
   A16        1.87511   0.00003  -0.00030   0.00011  -0.00019   1.87492
   A17        1.86745   0.00003  -0.00064   0.00067   0.00003   1.86748
   A18        1.87335  -0.00002   0.00036  -0.00052  -0.00016   1.87319
   A19        2.20771   0.00001  -0.00015   0.00016   0.00000   2.20771
   A20        2.11864   0.00002   0.00012   0.00000   0.00012   2.11876
   A21        1.95682  -0.00003   0.00002  -0.00016  -0.00014   1.95668
   A22        1.96035   0.00000   0.00015   0.00027   0.00042   1.96077
   A23        2.03829   0.00015  -0.00227  -0.00113  -0.00340   2.03489
   A24        2.01135   0.00003  -0.00029   0.00010  -0.00019   2.01116
   A25        2.23349  -0.00018   0.00256   0.00102   0.00357   2.23706
   A26        1.99295  -0.00005   0.00168  -0.00038   0.00130   1.99425
   A27        1.92054  -0.00014   0.00202  -0.00003   0.00198   1.92252
   A28        1.91242   0.00029  -0.00358   0.00022  -0.00336   1.90906
   A29        1.91364   0.00010  -0.00093  -0.00047  -0.00140   1.91224
   A30        1.87896  -0.00021   0.00152   0.00013   0.00165   1.88061
   A31        1.83855   0.00002  -0.00096   0.00062  -0.00034   1.83821
   A32        1.99123   0.00038  -0.00197   0.00043  -0.00155   1.98968
   A33        2.12627  -0.00021  -0.00021   0.00075   0.00053   2.12679
   A34        2.01729  -0.00014  -0.00029   0.00016  -0.00014   2.01715
   A35        1.89834   0.00003  -0.00006   0.00105   0.00099   1.89934
   A36        1.92312  -0.00001   0.00025  -0.00065  -0.00039   1.92272
   A37        1.96500   0.00000   0.00060  -0.00034   0.00026   1.96526
   A38        1.88619  -0.00004   0.00063   0.00027   0.00090   1.88709
   A39        1.90202  -0.00001  -0.00007  -0.00065  -0.00072   1.90129
   A40        1.88754   0.00003  -0.00134   0.00033  -0.00102   1.88652
   A41        2.12038  -0.00006   0.00062   0.00117   0.00179   2.12218
   A42        2.05582  -0.00012   0.00051   0.00055   0.00105   2.05687
   A43        2.10668   0.00018  -0.00117  -0.00174  -0.00292   2.10376
   A44        2.03613   0.00000   0.00341   0.00098   0.00416   2.04029
   A45        2.07430   0.00001   0.00528   0.00169   0.00673   2.08103
   A46        1.97546  -0.00006   0.00346  -0.00005   0.00314   1.97860
   A47        1.88875  -0.00003  -0.00221  -0.00182  -0.00403   1.88472
   A48        1.90797  -0.00010  -0.00021   0.00075   0.00054   1.90851
   A49        1.89331  -0.00001   0.00204   0.00117   0.00320   1.89651
   A50        1.95075   0.00025   0.00233   0.00151   0.00385   1.95459
   A51        1.93028  -0.00009  -0.00096   0.00044  -0.00051   1.92976
   A52        1.89194  -0.00003  -0.00096  -0.00202  -0.00298   1.88897
   A53        2.13395  -0.00014   0.00078  -0.00102  -0.00024   2.13371
   A54        2.03109  -0.00016   0.00070   0.00041   0.00111   2.03220
   A55        2.11742   0.00030  -0.00135   0.00055  -0.00080   2.11662
   A56        2.10922   0.00025  -0.00009   0.00215   0.00204   2.11126
   A57        2.12096  -0.00019  -0.00025  -0.00253  -0.00281   2.11814
   A58        2.03369  -0.00003  -0.00032  -0.00125  -0.00160   2.03208
   A59        1.91204  -0.00022   0.00132  -0.00235  -0.00103   1.91101
   A60        1.93221   0.00031  -0.00001   0.00336   0.00334   1.93556
   A61        1.87852  -0.00011   0.00099  -0.00105  -0.00007   1.87846
   A62        1.95427  -0.00006  -0.00069  -0.00066  -0.00135   1.95293
   A63        1.88491   0.00017  -0.00072   0.00074   0.00002   1.88493
   A64        1.89967  -0.00008  -0.00086  -0.00009  -0.00096   1.89871
   A65        1.99308   0.00024  -0.00079   0.00125   0.00046   1.99354
   A66        1.89727  -0.00015   0.00229   0.00010   0.00240   1.89967
   A67        1.89745   0.00001  -0.00141  -0.00024  -0.00165   1.89580
   A68        1.91814  -0.00007   0.00059  -0.00064  -0.00006   1.91809
   A69        1.92391  -0.00007  -0.00071  -0.00069  -0.00141   1.92250
   A70        1.82634   0.00002   0.00013   0.00013   0.00027   1.82661
   A71        2.09600  -0.00011   0.00060  -0.00023   0.00038   2.09638
   A72        2.10194   0.00009  -0.00056   0.00012  -0.00044   2.10150
   A73        2.08522   0.00002  -0.00004   0.00010   0.00006   2.08528
   A74        2.09708  -0.00001   0.00007  -0.00003   0.00004   2.09712
   A75        2.09635   0.00002  -0.00010   0.00030   0.00020   2.09655
   A76        2.08968  -0.00001   0.00002  -0.00028  -0.00026   2.08942
   A77        2.09852   0.00003  -0.00012  -0.00004  -0.00016   2.09836
   A78        2.09075  -0.00001   0.00013   0.00001   0.00014   2.09089
   A79        2.09391  -0.00002  -0.00001   0.00003   0.00002   2.09393
   A80        2.08985  -0.00001   0.00006   0.00002   0.00008   2.08993
   A81        2.09624   0.00003  -0.00023   0.00012  -0.00012   2.09612
   A82        2.09709  -0.00002   0.00017  -0.00013   0.00004   2.09712
   A83        2.09911   0.00000  -0.00004   0.00000  -0.00004   2.09907
   A84        2.09278   0.00002  -0.00009  -0.00014  -0.00022   2.09256
   A85        2.09130  -0.00001   0.00012   0.00013   0.00026   2.09155
   A86        2.09655  -0.00003   0.00006  -0.00005   0.00001   2.09657
   A87        2.09754   0.00001   0.00005   0.00003   0.00009   2.09762
   A88        2.08908   0.00002  -0.00011   0.00001  -0.00010   2.08899
   A89        1.95574  -0.00027   0.00070   0.00127   0.00197   1.95771
   A90        1.92300   0.00012  -0.00021  -0.00028  -0.00049   1.92250
   A91        1.90874   0.00004  -0.00044  -0.00067  -0.00111   1.90763
   A92        1.89285   0.00005   0.00101   0.00029   0.00130   1.89415
   A93        1.93755   0.00011  -0.00154  -0.00175  -0.00329   1.93426
   A94        1.84260  -0.00002   0.00048   0.00113   0.00161   1.84420
   A95        1.84401  -0.00017   0.00504   0.00507   0.01011   1.85412
   A96        1.95923   0.00048  -0.00226   0.00141  -0.00084   1.95839
   A97        1.95891  -0.00024   0.00007  -0.00126  -0.00119   1.95771
   A98        1.84376  -0.00021  -0.00300  -0.00500  -0.00799   1.83577
   A99        1.90741   0.00019  -0.00142  -0.00018  -0.00162   1.90579
   A100       1.94345  -0.00006   0.00154  -0.00005   0.00148   1.94493
   A101       1.92253  -0.00008   0.00064  -0.00015   0.00049   1.92302
   A102       1.93561   0.00022   0.00004   0.00014   0.00016   1.93577
   A103       1.90466  -0.00036   0.00434  -0.00129   0.00304   1.90771
   A104       1.89895   0.00014  -0.00124   0.00286   0.00163   1.90058
   A105       1.96666   0.00009   0.00038   0.00149   0.00184   1.96850
   A106       1.91859  -0.00027   0.00149  -0.00167  -0.00018   1.91841
   A107       1.83588   0.00018  -0.00528  -0.00152  -0.00679   1.82909
   A108       1.95146   0.00017  -0.00178  -0.00072  -0.00251   1.94896
   A109       1.91912  -0.00010   0.00095   0.00110   0.00205   1.92117
   A110       1.92027  -0.00034   0.00448  -0.00016   0.00432   1.92459
   A111       1.92264   0.00008  -0.00186   0.00019  -0.00167   1.92097
   A112       1.92271   0.00001   0.00205   0.00121   0.00326   1.92597
   A113       1.82352   0.00018  -0.00389  -0.00167  -0.00556   1.81796
   A114       2.09180   0.00031  -0.00130  -0.00016  -0.00146   2.09034
   A115       2.10195  -0.00031   0.00130   0.00005   0.00135   2.10330
   A116       2.08943   0.00001   0.00000   0.00011   0.00011   2.08954
   A117       2.09506  -0.00005   0.00010  -0.00022  -0.00012   2.09494
   A118       2.08912  -0.00003   0.00027  -0.00025   0.00002   2.08913
   A119       2.09900   0.00009  -0.00036   0.00047   0.00010   2.09910
   A120       2.09798   0.00007  -0.00025   0.00007  -0.00018   2.09780
   A121       2.09141  -0.00007   0.00020  -0.00004   0.00016   2.09157
   A122       2.09379   0.00000   0.00004  -0.00003   0.00002   2.09381
   A123       2.09119  -0.00001   0.00013   0.00005   0.00018   2.09137
   A124       2.09594   0.00003  -0.00006   0.00005  -0.00001   2.09593
   A125       2.09606  -0.00001  -0.00007  -0.00010  -0.00017   2.09588
   A126       2.09881  -0.00002   0.00004  -0.00002   0.00002   2.09883
   A127       2.09278   0.00001  -0.00019  -0.00017  -0.00036   2.09242
   A128       2.09160   0.00001   0.00015   0.00019   0.00034   2.09194
   A129       2.09390   0.00001  -0.00003   0.00002  -0.00002   2.09388
   A130       2.09758   0.00006  -0.00069  -0.00037  -0.00106   2.09652
   A131       2.09171  -0.00007   0.00073   0.00035   0.00108   2.09279
   A132       2.15794  -0.00041  -0.00116  -0.00482  -0.01067   2.14727
   A133       2.01463   0.00002  -0.00682  -0.00995  -0.02170   1.99294
   A134       2.06816   0.00028  -0.00596  -0.00703  -0.01808   2.05008
   A135       2.27763  -0.00014   0.00006  -0.00050  -0.00065   2.27698
   A136       1.87065   0.00017  -0.00001  -0.00027  -0.00051   1.87014
   A137       2.13303   0.00000  -0.00073   0.00002  -0.00092   2.13210
   A138       2.02605  -0.00038   0.00167   0.00178   0.00345   2.02951
   A139       1.89624  -0.00016   0.00066  -0.00023   0.00043   1.89667
   A140       1.77038   0.00001  -0.00122   0.00006  -0.00116   1.76922
   A141       1.90820   0.00008  -0.00118   0.00030  -0.00088   1.90733
   A142       1.96250   0.00018  -0.00027   0.00079   0.00052   1.96302
   A143       1.98729   0.00003   0.00031   0.00003   0.00034   1.98763
   A144       1.92595  -0.00014   0.00147  -0.00094   0.00053   1.92648
   A145       2.24653   0.00016  -0.00111   0.00102  -0.00010   2.24643
   A146       2.12651  -0.00016   0.00122  -0.00112   0.00008   2.12659
   A147       1.90993   0.00000  -0.00015   0.00004  -0.00011   1.90982
   A148       2.01395  -0.00002   0.00011  -0.00011   0.00000   2.01395
   A149       2.20968   0.00004   0.00024   0.00044   0.00067   2.21035
   A150       2.05955  -0.00001  -0.00036  -0.00033  -0.00069   2.05886
   A151       1.95356   0.00001  -0.00055  -0.00013  -0.00067   1.95288
   A152       1.97011  -0.00003   0.00039   0.00017   0.00055   1.97067
   A153       2.18887   0.00007  -0.00132  -0.00007  -0.00138   2.18748
   A154       2.12420  -0.00004   0.00094  -0.00011   0.00083   2.12503
   A155       1.57712   0.00004   0.00022   0.00001   0.00023   1.57735
   A156       1.97042  -0.00009  -0.00011  -0.00111  -0.00123   1.96919
   A157       1.91533   0.00034   0.00039   0.00191   0.00230   1.91762
   A158       1.85474  -0.00010  -0.00150  -0.00150  -0.00301   1.85174
   A159       1.94014  -0.00017   0.00091  -0.00026   0.00065   1.94079
   A160       1.88611   0.00006  -0.00021   0.00017  -0.00004   1.88607
   A161       1.89343  -0.00004   0.00043   0.00078   0.00121   1.89464
   A162       1.95311  -0.00003  -0.00252  -0.00210  -0.00465   1.94846
   A163       1.96085   0.00047  -0.00200   0.00009  -0.00193   1.95893
   A164       1.94624  -0.00032   0.00199   0.00087   0.00281   1.94904
   A165       1.86077  -0.00013   0.00316   0.00363   0.00679   1.86757
   A166       1.84809   0.00035  -0.01079  -0.00282  -0.01367   1.83442
   A167       1.88883  -0.00035   0.01022   0.00033   0.01052   1.89935
   A168       1.93510  -0.00015   0.00084  -0.00069   0.00015   1.93526
   A169       1.96504   0.00006   0.00070   0.00023   0.00092   1.96597
   A170       1.95559   0.00009  -0.00045   0.00138   0.00092   1.95651
   A171       1.85236   0.00007  -0.00401  -0.00085  -0.00486   1.84750
   A172       1.86398   0.00001  -0.00078  -0.00205  -0.00283   1.86115
   A173       1.88591  -0.00009   0.00351   0.00179   0.00529   1.89120
   A174       1.91575  -0.00002   0.00018   0.00004   0.00022   1.91597
   A175       2.24309  -0.00003   0.00194   0.00234   0.00429   2.24738
   A176       2.12430   0.00005  -0.00213  -0.00239  -0.00452   2.11978
   A177       1.58050   0.00002  -0.00007  -0.00025  -0.00031   1.58019
    D1        1.06358   0.00000  -0.00001   0.00035   0.00035   1.06392
    D2       -3.06608   0.00001   0.00042   0.00051   0.00093  -3.06515
    D3       -1.01627   0.00003  -0.00037   0.00054   0.00017  -1.01610
    D4       -3.13299  -0.00002   0.00049  -0.00033   0.00016  -3.13283
    D5       -0.97947  -0.00001   0.00091  -0.00017   0.00074  -0.97872
    D6        1.07034   0.00001   0.00012  -0.00014  -0.00002   1.07032
    D7       -1.02842   0.00002  -0.00042   0.00047   0.00004  -1.02838
    D8        1.12510   0.00003   0.00000   0.00063   0.00063   1.12573
    D9       -3.10827   0.00005  -0.00079   0.00066  -0.00014  -3.10841
   D10        0.99895   0.00002   0.01140   0.00073   0.01213   1.01108
   D11        3.10665   0.00003   0.01140   0.00086   0.01226   3.11892
   D12       -1.09079   0.00003   0.01159   0.00013   0.01172  -1.07907
   D13       -1.14901  -0.00003   0.01234   0.00082   0.01316  -1.13585
   D14        0.95869  -0.00002   0.01235   0.00095   0.01330   0.97199
   D15        3.04443  -0.00002   0.01254   0.00022   0.01276   3.05719
   D16        3.07962  -0.00006   0.01247   0.00050   0.01297   3.09259
   D17       -1.09586  -0.00004   0.01247   0.00063   0.01310  -1.08276
   D18        0.98988  -0.00004   0.01267  -0.00010   0.01256   1.00245
   D19        1.96022   0.00005  -0.02260  -0.00294  -0.02554   1.93468
   D20       -1.17570   0.00003  -0.01938  -0.00315  -0.02252  -1.19822
   D21       -2.15741   0.00003  -0.02263  -0.00316  -0.02579  -2.18319
   D22        0.98986   0.00001  -0.01940  -0.00337  -0.02277   0.96709
   D23       -0.09669   0.00007  -0.02266  -0.00288  -0.02554  -0.12224
   D24        3.05058   0.00005  -0.01944  -0.00309  -0.02253   3.02805
   D25       -3.13516   0.00000   0.00165   0.00016   0.00181  -3.13335
   D26        0.00120   0.00002  -0.00132   0.00035  -0.00097   0.00023
   D27        3.13438   0.00000  -0.00148  -0.00024  -0.00172   3.13266
   D28       -0.00228  -0.00002   0.00132  -0.00042   0.00090  -0.00139
   D29        3.13179  -0.00002   0.00070  -0.00185  -0.00114   3.13065
   D30        0.00096  -0.00001   0.00062  -0.00007   0.00055   0.00151
   D31        2.13654  -0.00001  -0.00188  -0.00093  -0.00282   2.13372
   D32       -1.98618  -0.00003  -0.00030  -0.00186  -0.00215  -1.98833
   D33        0.02753   0.00008  -0.00236  -0.00100  -0.00336   0.02417
   D34       -1.01740  -0.00002  -0.00181  -0.00298  -0.00480  -1.02221
   D35        1.14307  -0.00004  -0.00023  -0.00391  -0.00414   1.13893
   D36       -3.12641   0.00007  -0.00230  -0.00305  -0.00535  -3.13176
   D37       -0.00266   0.00000   0.00039  -0.00025   0.00014  -0.00252
   D38       -3.13492  -0.00001   0.00046   0.00129   0.00176  -3.13316
   D39       -3.13207   0.00001   0.00034   0.00178   0.00213  -3.12994
   D40        0.01886   0.00000   0.00041   0.00333   0.00374   0.02261
   D41       -1.25450  -0.00006  -0.01097  -0.00448  -0.01545  -1.26995
   D42        1.30295  -0.00004  -0.01555  -0.00207  -0.01761   1.28533
   D43        2.86451   0.00009  -0.01413  -0.00379  -0.01792   2.84659
   D44       -0.86123   0.00011  -0.01871  -0.00138  -0.02008  -0.88131
   D45        0.87299   0.00013  -0.01333  -0.00435  -0.01769   0.85531
   D46       -2.85274   0.00015  -0.01791  -0.00194  -0.01985  -2.87259
   D47       -1.20018   0.00000  -0.00032   0.01104   0.01073  -1.18945
   D48        3.01841   0.00003  -0.00119   0.01046   0.00927   3.02768
   D49        0.90968   0.00001  -0.00006   0.01072   0.01067   0.92035
   D50        2.48768   0.00002   0.00389   0.00859   0.01248   2.50016
   D51        0.42308   0.00006   0.00302   0.00800   0.01102   0.43410
   D52       -1.68565   0.00003   0.00415   0.00827   0.01242  -1.67323
   D53       -2.86146  -0.00022   0.01522  -0.00822   0.00700  -2.85446
   D54        0.30647  -0.00020   0.01720  -0.00710   0.01010   0.31657
   D55       -0.31206  -0.00004   0.01007  -0.00569   0.00437  -0.30768
   D56        2.85588  -0.00002   0.01205  -0.00457   0.00748   2.86335
   D57        2.78929   0.00003  -0.00959  -0.00364  -0.01316   2.77613
   D58        0.32452   0.00012  -0.02824  -0.00754  -0.03583   0.28869
   D59       -0.32617   0.00006  -0.00765  -0.00257  -0.01017  -0.33634
   D60       -2.79094   0.00015  -0.02631  -0.00647  -0.03284  -2.82378
   D61       -1.77312   0.00012  -0.03060  -0.03182  -0.06243  -1.83555
   D62        2.38171  -0.00011  -0.03195  -0.03300  -0.06497   2.31674
   D63        0.32182  -0.00001  -0.03186  -0.03167  -0.06354   0.25828
   D64        0.72898   0.00006  -0.01225  -0.02750  -0.03973   0.68925
   D65       -1.39938  -0.00017  -0.01360  -0.02868  -0.04226  -1.44164
   D66        2.82392  -0.00007  -0.01350  -0.02735  -0.04084   2.78308
   D67       -0.58767  -0.00006   0.01491   0.00943   0.02434  -0.56333
   D68        2.51343  -0.00019   0.01838   0.00805   0.02644   2.53987
   D69        1.51420  -0.00005   0.01464   0.01010   0.02473   1.53893
   D70       -1.66788  -0.00017   0.01811   0.00872   0.02683  -1.64105
   D71       -2.65929   0.00002   0.01434   0.00886   0.02319  -2.63610
   D72        0.44181  -0.00010   0.01781   0.00748   0.02530   0.46710
   D73        1.19695  -0.00010  -0.02634  -0.04232  -0.06866   1.12829
   D74       -2.91149  -0.00013  -0.02494  -0.04202  -0.06696  -2.97845
   D75       -0.86760  -0.00005  -0.02506  -0.04096  -0.06602  -0.93363
   D76       -0.89366  -0.00015  -0.02491  -0.04150  -0.06642  -0.96008
   D77        1.28109  -0.00018  -0.02351  -0.04120  -0.06472   1.21637
   D78       -2.95821  -0.00011  -0.02364  -0.04014  -0.06378  -3.02199
   D79       -3.02550  -0.00018  -0.02456  -0.04166  -0.06622  -3.09172
   D80       -0.85075  -0.00022  -0.02316  -0.04136  -0.06452  -0.91527
   D81        1.19314  -0.00014  -0.02329  -0.04029  -0.06358   1.12956
   D82        3.11297   0.00025  -0.00140   0.00361   0.00223   3.11520
   D83        0.18864   0.00013   0.00240   0.01280   0.01521   0.20385
   D84       -0.06870   0.00012   0.00211   0.00221   0.00432  -0.06438
   D85       -2.99303   0.00000   0.00590   0.01140   0.01730  -2.97573
   D86        2.45961   0.00002   0.01533   0.02767   0.04300   2.50261
   D87       -1.65994  -0.00001   0.01537   0.02749   0.04286  -1.61709
   D88        0.41430   0.00000   0.01492   0.02865   0.04357   0.45787
   D89       -0.88881   0.00011   0.01172   0.01873   0.03046  -0.85836
   D90        1.27482   0.00008   0.01176   0.01855   0.03032   1.30513
   D91       -2.93413   0.00009   0.01131   0.01972   0.03103  -2.90310
   D92        1.07596   0.00008  -0.00202   0.00466   0.00264   1.07859
   D93       -1.07258   0.00012  -0.00398   0.00455   0.00057  -1.07201
   D94       -3.05105   0.00017  -0.00459   0.00446  -0.00013  -3.05118
   D95       -1.07470  -0.00011  -0.00248   0.00250   0.00002  -1.07468
   D96        3.05995  -0.00007  -0.00443   0.00239  -0.00205   3.05790
   D97        1.08148  -0.00002  -0.00505   0.00230  -0.00275   1.07873
   D98        3.11726  -0.00008  -0.00053   0.00254   0.00201   3.11926
   D99        0.96872  -0.00004  -0.00248   0.00242  -0.00006   0.96866
   D100      -1.00975   0.00001  -0.00310   0.00234  -0.00076  -1.01051
   D101       1.15960   0.00009   0.00190   0.01414   0.01604   1.17564
   D102      -0.94958   0.00013   0.00030   0.01311   0.01341  -0.93617
   D103      -2.96745   0.00007   0.00010   0.01230   0.01239  -2.95506
   D104      -2.98436  -0.00002   0.00312   0.01306   0.01617  -2.96819
   D105       1.18964   0.00002   0.00151   0.01203   0.01354   1.20319
   D106      -0.82823  -0.00004   0.00131   0.01121   0.01252  -0.81570
   D107      -0.90180   0.00010   0.00123   0.01351   0.01474  -0.88705
   D108      -3.01098   0.00014  -0.00037   0.01248   0.01211  -2.99886
   D109       1.25434   0.00007  -0.00058   0.01167   0.01109   1.26543
   D110      -1.59457   0.00003   0.00313  -0.00502  -0.00189  -1.59646
   D111       1.55485   0.00004   0.00285  -0.00389  -0.00104   1.55381
   D112       0.54261  -0.00005   0.00602  -0.00448   0.00154   0.54415
   D113      -2.59114  -0.00004   0.00574  -0.00335   0.00238  -2.58876
   D114       2.54678  -0.00011   0.00611  -0.00508   0.00103   2.54781
   D115      -0.58698  -0.00010   0.00583  -0.00395   0.00187  -0.58511
   D116       3.13989   0.00000  -0.00036   0.00100   0.00065   3.14053
   D117      -0.01523   0.00001  -0.00163   0.00049  -0.00114  -0.01637
   D118      -0.00946  -0.00001  -0.00008  -0.00011  -0.00019  -0.00965
   D119       3.11860   0.00000  -0.00135  -0.00062  -0.00198   3.11663
   D120      -3.14011  -0.00001   0.00021  -0.00101  -0.00079  -3.14091
   D121       0.00610   0.00001  -0.00081  -0.00089  -0.00170   0.00440
   D122       0.00927   0.00000  -0.00008   0.00012   0.00004   0.00931
   D123      -3.12770   0.00003  -0.00110   0.00023  -0.00087  -3.12857
   D124       0.00246   0.00000   0.00007   0.00008   0.00014   0.00260
   D125       3.14016   0.00001  -0.00020  -0.00007  -0.00027   3.13988
   D126      -3.12566  -0.00001   0.00134   0.00058   0.00192  -3.12374
   D127       0.01204   0.00000   0.00107   0.00043   0.00150   0.01354
   D128       0.00480   0.00000   0.00009  -0.00004   0.00005   0.00485
   D129      -3.14137   0.00000   0.00002  -0.00014  -0.00012  -3.14150
   D130      -3.13290  -0.00001   0.00036   0.00011   0.00047  -3.13242
   D131       0.00412  -0.00001   0.00029   0.00001   0.00030   0.00442
   D132      -0.00499   0.00000  -0.00024   0.00004  -0.00020  -0.00520
   D133       3.13459   0.00000  -0.00020   0.00000  -0.00020   3.13439
   D134       3.14118   0.00000  -0.00017   0.00014  -0.00003   3.14115
   D135      -0.00242   0.00000  -0.00013   0.00010  -0.00003  -0.00245
   D136      -0.00207   0.00000   0.00024  -0.00008   0.00016  -0.00191
   D137       3.13493  -0.00002   0.00126  -0.00019   0.00106   3.13599
   D138       3.14153   0.00000   0.00020  -0.00004   0.00016  -3.14150
   D139      -0.00466  -0.00002   0.00122  -0.00015   0.00106  -0.00360
   D140      -1.69172  -0.00005   0.00300   0.01068   0.01367  -1.67804
   D141       2.59033   0.00006   0.00475   0.01299   0.01774   2.60807
   D142       0.38560  -0.00005   0.00445   0.01293   0.01738   0.40299
   D143       0.43481  -0.00004   0.00387   0.01135   0.01522   0.45003
   D144      -1.56632   0.00007   0.00562   0.01366   0.01928  -1.54704
   D145       2.51213  -0.00004   0.00532   0.01360   0.01893   2.53106
   D146       2.45161   0.00002   0.00419   0.01190   0.01609   2.46769
   D147       0.45047   0.00013   0.00594   0.01421   0.02015   0.47062
   D148      -1.75426   0.00002   0.00564   0.01416   0.01980  -1.73446
   D149       2.28785  -0.00061  -0.04296  -0.06912  -0.11206   2.17578
   D150      -1.91601  -0.00024  -0.04455  -0.06748  -0.11206  -2.02807
   D151       0.17669  -0.00033  -0.04519  -0.07045  -0.11562   0.06107
   D152      -1.24974  -0.00001  -0.01465  -0.00843  -0.02307  -1.27281
   D153       2.85693  -0.00002  -0.01818  -0.00950  -0.02768   2.82925
   D154       0.86256  -0.00011  -0.01359  -0.00855  -0.02213   0.84043
   D155       3.03216   0.00008  -0.01778  -0.01227  -0.03005   3.00212
   D156       0.85565   0.00006  -0.02131  -0.01334  -0.03466   0.82098
   D157      -1.13872  -0.00003  -0.01672  -0.01238  -0.02911  -1.16783
   D158       0.96333   0.00001  -0.01511  -0.00904  -0.02414   0.93918
   D159      -1.21319   0.00000  -0.01864  -0.01011  -0.02876  -1.24195
   D160       3.07562  -0.00010  -0.01405  -0.00916  -0.02321   3.05242
   D161       2.94243   0.00006  -0.02204  -0.00933  -0.03136   2.91107
   D162      -1.19924   0.00020  -0.02497  -0.00880  -0.03378  -1.23301
   D163       0.80001   0.00017  -0.02660  -0.01028  -0.03687   0.76314
   D164      -1.19977  -0.00019  -0.01610  -0.00984  -0.02593  -1.22570
   D165       0.94175  -0.00005  -0.01904  -0.00931  -0.02835   0.91340
   D166       2.94100  -0.00008  -0.02066  -0.01078  -0.03145   2.90955
   D167       0.84176  -0.00009  -0.02148  -0.01190  -0.03338   0.80838
   D168       2.98328   0.00005  -0.02442  -0.01138  -0.03580   2.94748
   D169      -1.30065   0.00002  -0.02604  -0.01285  -0.03890  -1.33955
   D170       1.40724  -0.00011  -0.00941  -0.01090  -0.01984   1.38740
   D171      -1.41989   0.00021   0.05970   0.06887   0.12814  -1.29176
   D172      -0.75100  -0.00019  -0.01286  -0.01117  -0.02358  -0.77458
   D173       2.70505   0.00013   0.05625   0.06860   0.12439   2.82945
   D174      -2.84103  -0.00002  -0.01151  -0.00899  -0.02006  -2.86109
   D175       0.61502   0.00030   0.05760   0.07078   0.12792   0.74294
   D176       1.76987   0.00008  -0.01167  -0.01878  -0.03045   1.73942
   D177      -1.37428   0.00006  -0.01041  -0.01943  -0.02983  -1.40411
   D178      -0.36964   0.00004  -0.01032  -0.01983  -0.03015  -0.39979
   D179       2.76940   0.00002  -0.00906  -0.02047  -0.02954   2.73986
   D180      -2.37229  -0.00023  -0.00572  -0.01861  -0.02433  -2.39662
   D181       0.76675  -0.00025  -0.00446  -0.01926  -0.02372   0.74303
   D182       3.13523   0.00000   0.00022   0.00075   0.00097   3.13620
   D183      -0.01082  -0.00001   0.00019   0.00083   0.00101  -0.00981
   D184      -0.00383   0.00003  -0.00103   0.00139   0.00036  -0.00347
   D185       3.13331   0.00002  -0.00107   0.00147   0.00040   3.13371
   D186      -3.13635   0.00000  -0.00045  -0.00043  -0.00088  -3.13723
   D187       0.00329   0.00001  -0.00049   0.00013  -0.00037   0.00292
   D188       0.00269  -0.00002   0.00080  -0.00107  -0.00027   0.00242
   D189      -3.14085  -0.00001   0.00076  -0.00052   0.00024  -3.14061
   D190       0.00221  -0.00002   0.00055  -0.00088  -0.00033   0.00188
   D191      -3.13954  -0.00003   0.00069  -0.00098  -0.00029  -3.13983
   D192      -3.13491  -0.00001   0.00058  -0.00095  -0.00036  -3.13527
   D193       0.00653  -0.00001   0.00073  -0.00106  -0.00033   0.00620
   D194       0.00057   0.00000   0.00017   0.00003   0.00020   0.00077
   D195      -3.14057  -0.00001   0.00043  -0.00003   0.00040  -3.14017
   D196      -3.14087   0.00001   0.00002   0.00014   0.00016  -3.14070
   D197       0.00118   0.00000   0.00028   0.00008   0.00037   0.00154
   D198      -0.00171   0.00001  -0.00040   0.00029  -0.00011  -0.00182
   D199       3.14054   0.00000  -0.00048  -0.00005  -0.00053   3.14001
   D200       3.13943   0.00002  -0.00066   0.00035  -0.00031   3.13912
   D201      -0.00151   0.00001  -0.00074   0.00001  -0.00073  -0.00224
   D202       0.00007   0.00000  -0.00009   0.00024   0.00015   0.00022
   D203      -3.13957  -0.00001  -0.00005  -0.00032  -0.00036  -3.13994
   D204       3.14101   0.00001   0.00000   0.00057   0.00056   3.14158
   D205       0.00137   0.00000   0.00004   0.00001   0.00005   0.00142
   D206       0.24891   0.00008   0.05572   0.06693   0.12232   0.37123
   D207      -2.95880   0.00064   0.03892   0.05380   0.09241  -2.86640
   D208       3.06704  -0.00029  -0.01542  -0.01559  -0.03069   3.03635
   D209      -0.14066   0.00026  -0.03222  -0.02872  -0.06061  -0.20127
   D210       3.03708  -0.00027   0.03130   0.02066   0.05194   3.08902
   D211      -0.16393   0.00022   0.01622   0.00884   0.02507  -0.13886
   D212      -1.57299   0.00012   0.01172   0.00646   0.01818  -1.55481
   D213       2.63950  -0.00002   0.01236   0.00563   0.01799   2.65749
   D214       0.60537   0.00010   0.01177   0.00654   0.01831   0.62368
   D215      -0.91305  -0.00005  -0.06573  -0.06683  -0.13256  -1.04562
   D216       2.20439  -0.00006  -0.06886  -0.07038  -0.13923   2.06515
   D217       1.03221  -0.00004  -0.06696  -0.06648  -0.13344   0.89878
   D218      -2.13353  -0.00004  -0.07009  -0.07002  -0.14011  -2.27364
   D219      -3.04400  -0.00006  -0.06491  -0.06707  -0.13198   3.10720
   D220       0.07344  -0.00006  -0.06803  -0.07062  -0.13865  -0.06521
   D221       3.12439   0.00002  -0.00324  -0.00158  -0.00481   3.11958
   D222      -0.01208  -0.00006  -0.00068  -0.00175  -0.00243  -0.01451
   D223       0.00456   0.00003  -0.00043   0.00163   0.00119   0.00575
   D224      -3.13191  -0.00005   0.00212   0.00145   0.00358  -3.12834
   D225      -3.13112  -0.00002   0.00323   0.00162   0.00486  -3.12626
   D226      -0.00951  -0.00002   0.00063  -0.00129  -0.00066  -0.01017
   D227       0.00543  -0.00002  -0.00013  -0.00112  -0.00125   0.00418
   D228      -3.14082   0.00006  -0.00246  -0.00096  -0.00341   3.13896
   D229      -0.01280   0.00000   0.00063   0.00005   0.00067  -0.01213
   D230       3.13138   0.00003  -0.00148   0.00156   0.00008   3.13146
   D231       0.01318   0.00001  -0.00074   0.00073  -0.00001   0.01317
   D232      -3.13090  -0.00002   0.00127  -0.00072   0.00056  -3.13034
   D233      -0.98321   0.00017  -0.11557  -0.08837  -0.20392  -1.18714
   D234       1.10947   0.00031  -0.11468  -0.08511  -0.19981   0.90967
   D235      -3.04968  -0.00004  -0.10147  -0.08398  -0.18546   3.04804
   D236       3.13883  -0.00008  -0.11669  -0.08986  -0.20653   2.93230
   D237      -1.05167   0.00007  -0.11581  -0.08659  -0.20241  -1.25408
   D238       1.07236  -0.00029  -0.10260  -0.08547  -0.18807   0.88430
   D239       1.06293   0.00003  -0.11761  -0.09076  -0.20837   0.85456
   D240      -3.12757   0.00017  -0.11673  -0.08750  -0.20425   2.95137
   D241      -1.00354  -0.00018  -0.10352  -0.08637  -0.18990  -1.19344
   D242       3.10051  -0.00011   0.00795  -0.02011  -0.01217   3.08835
   D243      -1.11039  -0.00008   0.00389  -0.02151  -0.01762  -1.12801
   D244       1.01977  -0.00009   0.00866  -0.01796  -0.00930   1.01047
   D245      -0.99049  -0.00010   0.00874  -0.02034  -0.01160  -1.00209
   D246       1.08179  -0.00008   0.00468  -0.02174  -0.01706   1.06473
   D247      -3.07124  -0.00008   0.00945  -0.01819  -0.00873  -3.07997
   D248       1.08101  -0.00015   0.00929  -0.01979  -0.01051   1.07051
   D249      -3.12989  -0.00013   0.00523  -0.02119  -0.01596   3.13733
   D250      -0.99973  -0.00013   0.01000  -0.01764  -0.00764  -1.00737
   D251       0.00270   0.00001  -0.00092   0.00037  -0.00056   0.00215
   D252       3.13571   0.00002  -0.00096  -0.00103  -0.00198   3.13373
         Item               Value     Threshold  Converged?
 Maximum Force            0.001187     0.000450     NO 
 RMS     Force            0.000167     0.000300     YES
 Maximum Displacement     1.349089     0.001800     NO 
 RMS     Displacement     0.181215     0.001200     NO 
 Predicted change in Energy=-2.073967D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -8.808427   -2.730190   -0.265590
      2          6           0       -8.851053   -1.233442   -0.591251
      3          6           0       -9.870557   -0.491224    0.276887
      4          6           0       -7.487503   -0.636647   -0.433578
      5          7           0       -6.715262   -0.189746   -1.395674
      6          6           0       -5.476915    0.304665   -0.908144
      7          6           0       -4.509505    0.828815   -1.935114
      8          7           0       -4.103159    2.238622   -1.725349
      9          6           0       -5.165665    3.228860   -2.047147
     10          6           0       -3.209647    2.614038   -0.689594
     11          8           0       -3.102596    3.779925   -0.324709
     12          7           0       -2.406467    1.597200   -0.104235
     13          6           0       -1.179397    2.035448    0.602283
     14          6           0        0.030588    1.697437   -0.290931
     15          8           0        0.043433    0.721513   -1.033879
     16          7           0        1.096769    2.584852   -0.248737
     17          6           0        2.329658    2.338914   -1.044983
     18          6           0        2.881390    3.683028   -1.569133
     19          6           0        3.283140    4.648883   -0.488110
     20          6           0        2.357114    5.584302    0.000504
     21          6           0        2.728915    6.480914    1.005380
     22          6           0        4.025819    6.454275    1.528210
     23          6           0        4.952860    5.529725    1.037278
     24          6           0        4.586244    4.630373    0.032581
     25          6           0        3.379993    1.570542   -0.211614
     26          6           0        2.931277    0.136223    0.106313
     27          8           0        2.343759    0.179946    1.424270
     28          6           0        4.136476   -0.844574    0.228978
     29          6           0        4.743512   -1.144694   -1.153397
     30          6           0        6.081729   -1.819953   -1.037253
     31          6           0        6.175680   -3.211443   -1.191862
     32          6           0        7.417428   -3.843878   -1.091442
     33          6           0        8.569907   -3.094254   -0.834571
     34          6           0        8.477092   -1.707477   -0.677101
     35          6           0        7.238600   -1.069015   -0.777606
     36          7           0        3.699686   -2.073495    0.945826
     37          6           0        2.995127   -3.094969    0.332003
     38          8           0        2.898991   -3.391621   -0.842396
     39          8           0        2.447661   -3.887026    1.347652
     40          6           0        1.601010   -4.993243    0.918043
     41          6           0        0.209186   -4.508410    0.806950
     42          6           0       -0.590629   -3.966315    1.780504
     43          7           0       -1.873758   -3.570325    1.356572
     44          6           0       -2.062409   -3.807948    0.077491
     45         16           0       -0.650275   -4.525542   -0.704200
     46          6           0       -1.099149    1.324859    1.986946
     47          6           0       -0.939271   -0.190639    1.867358
     48          6           0        0.029125    1.936278    2.820819
     49          6           0       -5.311654    0.227634    0.444715
     50         16           0       -6.724226   -0.474123    1.170043
     51          1           0       -9.782444   -3.197942   -0.451056
     52          1           0       -8.069667   -3.253440   -0.885221
     53          1           0       -8.551841   -2.920626    0.783448
     54          1           0       -9.153724   -1.113351   -1.671031
     55          1           0       -9.670203   -0.603597    1.349100
     56          1           0       -9.880284    0.583558    0.055253
     57          1           0      -10.883961   -0.870647    0.098594
     58          1           0       -3.601786    0.180097   -1.974820
     59          1           0       -4.972317    0.754162   -2.955172
     60          1           0       -5.341656    3.220672   -3.134825
     61          1           0       -4.838466    4.247659   -1.758536
     62          1           0       -6.115371    3.014731   -1.529372
     63          1           0       -2.296492    0.699610   -0.594216
     64          1           0       -1.242835    3.150257    0.779972
     65          1           0        1.154276    3.311534    0.463831
     66          1           0        2.040857    1.708593   -1.936786
     67          1           0        2.119226    4.150773   -2.230594
     68          1           0        3.743852    3.475988   -2.236909
     69          1           0        1.349486    5.623435   -0.412596
     70          1           0        2.006164    7.205397    1.379122
     71          1           0        4.313097    7.153416    2.310786
     72          1           0        5.965454    5.511314    1.437939
     73          1           0        5.316420    3.918659   -0.346083
     74          1           0        3.571753    2.101440    0.746677
     75          1           0        4.344523    1.570024   -0.750584
     76          1           0        2.172813   -0.238681   -0.621184
     77          1           0        1.419421   -0.184524    1.399887
     78          1           0        4.916827   -0.382236    0.899041
     79          1           0        4.041653   -1.782191   -1.751725
     80          1           0        4.832724   -0.211710   -1.744203
     81          1           0        5.274663   -3.795977   -1.386435
     82          1           0        7.486920   -4.923361   -1.213559
     83          1           0        9.535704   -3.588141   -0.758075
     84          1           0        9.373212   -1.123286   -0.475683
     85          1           0        7.173196    0.008808   -0.655830
     86          1           0        3.565619   -1.946240    1.954927
     87          1           0        1.735320   -5.709883    1.755778
     88          1           0        2.004787   -5.419464   -0.023578
     89          1           0       -0.328411   -3.811873    2.823711
     90          1           0       -2.972368   -3.597323   -0.471343
     91          1           0       -2.077043    1.532726    2.501106
     92          1           0       -1.844082   -0.662807    1.457605
     93          1           0       -0.103058   -0.470733    1.207905
     94          1           0       -0.790200   -0.660764    2.847032
     95          1           0        0.065751    1.484424    3.820891
     96          1           0        1.022575    1.767503    2.378041
     97          1           0       -0.104423    3.013121    2.968044
     98          1           0       -4.468807    0.542474    1.041968
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0652477      0.0304080      0.0224907
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3572.6225040885 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.247660009183     A.U. after   20 cycles
             Convg  =    0.7085D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000139087   -0.000110268   -0.000139828
      2        6          -0.000173293   -0.000176150    0.000002144
      3        6           0.000121388   -0.000100133   -0.000173377
      4        6          -0.000144830   -0.000119856    0.000102038
      5        7           0.000212319   -0.000004410    0.000064443
      6        6          -0.000386166    0.000136348   -0.000424665
      7        6          -0.000003498    0.000468208    0.000764004
      8        7           0.000695938    0.001135456   -0.000449708
      9        6           0.000945367   -0.000577414    0.000118380
     10        6           0.000233091   -0.001781517   -0.000286663
     11        8          -0.000281349    0.000596913   -0.000411581
     12        7           0.000035102    0.000860141    0.000949623
     13        6          -0.000153181   -0.000108029    0.000533985
     14        6          -0.000537770   -0.001318056   -0.000382850
     15        8           0.000041724    0.000366995    0.000355164
     16        7           0.000204415    0.000023202    0.000101709
     17        6          -0.001112874    0.000554998    0.001365102
     18        6          -0.000366373   -0.000883325   -0.000042925
     19        6           0.000012494    0.000170873   -0.000134823
     20        6           0.000031040    0.000156827   -0.000225854
     21        6          -0.000158801   -0.000062155    0.000027564
     22        6           0.000221024    0.000015416   -0.000051540
     23        6           0.000038282   -0.000098583    0.000018866
     24        6          -0.000102314    0.000061807    0.000209921
     25        6           0.001915242    0.001704700    0.000482505
     26        6           0.000948010   -0.000686991   -0.002063132
     27        8          -0.000625406   -0.000055241    0.000787526
     28        6          -0.001299575   -0.000071310   -0.000974768
     29        6           0.000960525    0.000885391    0.000954274
     30        6          -0.000188266    0.000287310    0.000322269
     31        6          -0.000693405   -0.000331340   -0.000025035
     32        6           0.000302877   -0.000062819   -0.000154368
     33        6          -0.000031174   -0.000244455   -0.000189957
     34        6          -0.000485481    0.000036272    0.000201844
     35        6           0.000711963    0.000182577   -0.000236624
     36        7          -0.000830483   -0.000851182   -0.000064312
     37        6          -0.001720200    0.002257792   -0.000541928
     38        8           0.000806268   -0.000734628    0.000478429
     39        8           0.000887406   -0.000047724    0.000433110
     40        6          -0.000086264    0.000086397   -0.000243197
     41        6           0.000465939   -0.000173215    0.000090012
     42        6          -0.000360208   -0.000339776   -0.000127852
     43        7           0.000224370   -0.000057894   -0.000110389
     44        6          -0.000090152    0.000133927    0.000152678
     45       16           0.000032720    0.000007853   -0.000135026
     46        6           0.000258375   -0.000536015   -0.000216615
     47        6           0.001553970    0.001057883    0.000002649
     48        6           0.000219961    0.000050275    0.000444270
     49        6           0.000284209   -0.000223494    0.000288987
     50       16          -0.000081250    0.000179241   -0.000335473
     51        1           0.000005208    0.000046416    0.000039128
     52        1          -0.000074090    0.000033101    0.000021829
     53        1           0.000030847    0.000035302   -0.000012858
     54        1          -0.000029239    0.000167877    0.000182269
     55        1          -0.000037832    0.000092390    0.000067517
     56        1          -0.000016539    0.000017946    0.000083047
     57        1           0.000034591    0.000000378   -0.000022865
     58        1           0.000028102   -0.000106430    0.000368165
     59        1          -0.000291376   -0.000353538   -0.000347389
     60        1          -0.000055505    0.000079022   -0.000173009
     61        1          -0.000071828    0.000170440   -0.000014150
     62        1          -0.000223460   -0.000045994   -0.000106313
     63        1          -0.000191904    0.000002479   -0.000041924
     64        1           0.000144616    0.000016256    0.000017417
     65        1           0.000128560    0.000309086   -0.000150038
     66        1           0.000327620   -0.000168699    0.000343592
     67        1           0.000223698    0.000158058    0.000004016
     68        1           0.000086161    0.000037828   -0.000263412
     69        1          -0.000024870   -0.000047445    0.000032544
     70        1           0.000036085   -0.000018394    0.000010695
     71        1          -0.000035048   -0.000025997    0.000008740
     72        1          -0.000062502   -0.000003179    0.000018434
     73        1           0.000000892   -0.000023173   -0.000085747
     74        1           0.000000951   -0.000047544    0.000226733
     75        1          -0.000482627   -0.000185356   -0.000311293
     76        1          -0.000149058   -0.000117473   -0.000116497
     77        1           0.000973216    0.000250223   -0.000554764
     78        1          -0.000201328    0.000646926   -0.000571662
     79        1          -0.000137367   -0.001010842    0.000288946
     80        1           0.000089130   -0.000963912   -0.000044248
     81        1           0.000362458    0.000337306    0.000093778
     82        1           0.000022060    0.000056514    0.000061805
     83        1          -0.000005197   -0.000039329    0.000035224
     84        1           0.000030216    0.000032284   -0.000018700
     85        1          -0.000130508   -0.000099288    0.000011160
     86        1           0.000604526   -0.000617126    0.000469230
     87        1          -0.000261229    0.000050283    0.000080293
     88        1          -0.000057120    0.000107920    0.000224477
     89        1           0.000050775    0.000220753    0.000060746
     90        1           0.000098531    0.000062668   -0.000166024
     91        1          -0.000677341   -0.000337479   -0.000019218
     92        1          -0.000667541    0.000419437   -0.001059949
     93        1          -0.000708993   -0.000343551    0.001163224
     94        1          -0.000990454   -0.000770228   -0.000399917
     95        1           0.000346267    0.000086491   -0.000142332
     96        1          -0.000055068   -0.000021764    0.000008143
     97        1          -0.000379472    0.000158733   -0.000233051
     98        1          -0.000197808    0.000089801   -0.000174798
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002257792 RMS     0.000486546

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002917197 RMS     0.000408048
 Search for a local minimum.
 Step number  32 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   31   32
 DE= -1.31D-04 DEPred=-2.07D-04 R= 6.30D-01
 SS=  1.41D+00  RLast= 8.35D-01 DXNew= 2.9263D+00 2.5040D+00
 Trust test= 6.30D-01 RLast= 8.35D-01 DXMaxT set to 2.50D+00
     Eigenvalues ---    0.00063   0.00139   0.00213   0.00273   0.00321
     Eigenvalues ---    0.00405   0.00488   0.00585   0.00628   0.00674
     Eigenvalues ---    0.00727   0.00790   0.00902   0.00919   0.00949
     Eigenvalues ---    0.00967   0.01053   0.01088   0.01204   0.01241
     Eigenvalues ---    0.01280   0.01348   0.01360   0.01418   0.01436
     Eigenvalues ---    0.01440   0.01516   0.01570   0.01624   0.01649
     Eigenvalues ---    0.01689   0.01749   0.01852   0.01926   0.01989
     Eigenvalues ---    0.02082   0.02172   0.02194   0.02203   0.02217
     Eigenvalues ---    0.02220   0.02258   0.02269   0.02289   0.02311
     Eigenvalues ---    0.02329   0.02373   0.02406   0.02409   0.02415
     Eigenvalues ---    0.02449   0.02482   0.02485   0.02527   0.02528
     Eigenvalues ---    0.02540   0.02663   0.02699   0.02764   0.03326
     Eigenvalues ---    0.03346   0.03980   0.04046   0.04140   0.04200
     Eigenvalues ---    0.04291   0.04433   0.04583   0.04729   0.04822
     Eigenvalues ---    0.04936   0.04983   0.05049   0.05111   0.05202
     Eigenvalues ---    0.05222   0.05337   0.05380   0.05425   0.05491
     Eigenvalues ---    0.05533   0.05630   0.05716   0.05734   0.05760
     Eigenvalues ---    0.05846   0.05894   0.05940   0.05996   0.06027
     Eigenvalues ---    0.06244   0.06461   0.06537   0.06653   0.06905
     Eigenvalues ---    0.07132   0.07509   0.07694   0.08083   0.08183
     Eigenvalues ---    0.08667   0.09586   0.09724   0.09841   0.10380
     Eigenvalues ---    0.11954   0.12914   0.13058   0.13116   0.13559
     Eigenvalues ---    0.13896   0.13952   0.14305   0.15050   0.15630
     Eigenvalues ---    0.15668   0.15888   0.15947   0.15973   0.15979
     Eigenvalues ---    0.15997   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16001   0.16002   0.16006   0.16011
     Eigenvalues ---    0.16019   0.16033   0.16045   0.16064   0.16075
     Eigenvalues ---    0.16104   0.16212   0.16488   0.16584   0.16896
     Eigenvalues ---    0.17108   0.17718   0.17962   0.18044   0.18334
     Eigenvalues ---    0.18644   0.19128   0.19520   0.20311   0.21542
     Eigenvalues ---    0.21649   0.21835   0.21999   0.22000   0.22001
     Eigenvalues ---    0.22002   0.22074   0.22124   0.22338   0.22713
     Eigenvalues ---    0.22825   0.22991   0.23449   0.23488   0.23663
     Eigenvalues ---    0.23725   0.24059   0.24256   0.24569   0.24705
     Eigenvalues ---    0.24910   0.24978   0.25018   0.25063   0.25140
     Eigenvalues ---    0.25300   0.25458   0.25601   0.26998   0.29290
     Eigenvalues ---    0.29590   0.29675   0.29784   0.29918   0.30145
     Eigenvalues ---    0.30223   0.30444   0.30653   0.30834   0.30941
     Eigenvalues ---    0.31344   0.31429   0.31447   0.31498   0.31597
     Eigenvalues ---    0.31662   0.31705   0.31943   0.32032   0.32251
     Eigenvalues ---    0.32333   0.32485   0.32560   0.32595   0.32726
     Eigenvalues ---    0.32788   0.32852   0.32909   0.32942   0.33022
     Eigenvalues ---    0.33024   0.33061   0.33144   0.33182   0.33244
     Eigenvalues ---    0.33340   0.33488   0.33570   0.33584   0.33672
     Eigenvalues ---    0.33711   0.33909   0.33988   0.33993   0.34035
     Eigenvalues ---    0.34164   0.34240   0.34338   0.34375   0.34439
     Eigenvalues ---    0.34494   0.34584   0.34712   0.34916   0.35347
     Eigenvalues ---    0.36173   0.36250   0.36312   0.36375   0.36632
     Eigenvalues ---    0.36677   0.36840   0.36959   0.37183   0.38272
     Eigenvalues ---    0.39014   0.39383   0.40043   0.41229   0.41377
     Eigenvalues ---    0.42038   0.42546   0.42896   0.43264   0.43707
     Eigenvalues ---    0.43874   0.44269   0.45121   0.45843   0.47263
     Eigenvalues ---    0.47627   0.48367   0.48416   0.48611   0.48887
     Eigenvalues ---    0.49102   0.49353   0.49981   0.50366   0.50926
     Eigenvalues ---    0.51276   0.51550   0.52513   0.56379   0.57720
     Eigenvalues ---    0.58915   0.60441   0.62703   0.65187   0.76106
     Eigenvalues ---    0.79084   0.83833   1.570751000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    32   31   30   29   28
 RFO step:  Lambda=-1.23370729D-04.
 DIIS coeffs:      0.94409     -1.55515      1.18810      0.21675      0.20621
 Iteration  1 RMS(Cart)=  0.12387018 RMS(Int)=  0.00608538
 Iteration  2 RMS(Cart)=  0.00750445 RMS(Int)=  0.00047526
 Iteration  3 RMS(Cart)=  0.00014633 RMS(Int)=  0.00045459
 Iteration  4 RMS(Cart)=  0.00000008 RMS(Int)=  0.00045459
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89574  -0.00010  -0.00046   0.00001  -0.00044   2.89530
    R2        2.07173   0.00005   0.00025   0.00002   0.00028   2.07200
    R3        2.07311   0.00008   0.00019  -0.00005   0.00015   2.07326
    R4        2.07232  -0.00003  -0.00024   0.00011  -0.00013   2.07219
    R5        2.89316   0.00008   0.00041   0.00024   0.00066   2.89381
    R6        2.82847   0.00002  -0.00015  -0.00018  -0.00033   2.82814
    R7        2.13125  -0.00005  -0.00005   0.00004  -0.00001   2.13124
    R8        2.07217   0.00000  -0.00008   0.00012   0.00004   2.07221
    R9        2.07386  -0.00008  -0.00026  -0.00001  -0.00027   2.07359
   R10        2.07245   0.00002  -0.00011   0.00007  -0.00003   2.07242
   R11        2.47958  -0.00006   0.00026  -0.00053  -0.00028   2.47931
   R12        3.37018  -0.00019  -0.00049   0.00058   0.00009   3.37027
   R13        2.68290   0.00007  -0.00088   0.00082  -0.00005   2.68285
   R14        2.84420  -0.00052  -0.00139  -0.00002  -0.00141   2.84279
   R15        2.57965  -0.00001   0.00094  -0.00048   0.00046   2.58011
   R16        2.80080   0.00031   0.00074  -0.00021   0.00053   2.80132
   R17        2.10970   0.00006   0.00054  -0.00003   0.00051   2.11021
   R18        2.12145  -0.00009  -0.00076   0.00014  -0.00062   2.12084
   R19        2.81121   0.00061   0.00051   0.00012   0.00063   2.81184
   R20        2.68054   0.00106   0.00178  -0.00069   0.00109   2.68163
   R21        2.08220   0.00019   0.00084  -0.00021   0.00064   2.08284
   R22        2.09437  -0.00016  -0.00067   0.00018  -0.00049   2.09387
   R23        2.08375  -0.00025  -0.00119   0.00028  -0.00091   2.08283
   R24        2.31744  -0.00046  -0.00126   0.00035  -0.00091   2.31653
   R25        2.68694   0.00117   0.00489  -0.00093   0.00396   2.69090
   R26        2.80096   0.00071   0.00307  -0.00042   0.00265   2.80361
   R27        1.94361   0.00009   0.00047   0.00018   0.00064   1.94425
   R28        2.91296  -0.00057  -0.00021  -0.00030  -0.00051   2.91245
   R29        2.94498  -0.00035  -0.00210   0.00023  -0.00187   2.94311
   R30        2.13664   0.00004  -0.00027  -0.00018  -0.00045   2.13619
   R31        2.31795   0.00032  -0.00048   0.00037  -0.00011   2.31784
   R32        2.62259  -0.00110  -0.00067  -0.00064  -0.00131   2.62128
   R33        2.81214  -0.00068  -0.00050  -0.00002  -0.00051   2.81163
   R34        1.92634  -0.00026  -0.00154   0.00041  -0.00113   1.92521
   R35        2.91887   0.00071   0.00164   0.00004   0.00167   2.92054
   R36        2.92029  -0.00210  -0.00334  -0.00068  -0.00402   2.91627
   R37        2.13466  -0.00029   0.00009  -0.00051  -0.00042   2.13423
   R38        2.84270  -0.00015  -0.00103   0.00019  -0.00084   2.84186
   R39        2.10194   0.00020   0.00117  -0.00014   0.00103   2.10297
   R40        2.09805   0.00004  -0.00071   0.00022  -0.00049   2.09756
   R41        2.65322   0.00000   0.00012  -0.00008   0.00003   2.65325
   R42        2.65205   0.00012   0.00009   0.00008   0.00018   2.65222
   R43        2.64016   0.00007  -0.00008   0.00016   0.00008   2.64024
   R44        2.05928  -0.00005   0.00022  -0.00013   0.00009   2.05937
   R45        2.64293  -0.00009  -0.00002  -0.00016  -0.00018   2.64275
   R46        2.05878   0.00004   0.00011   0.00001   0.00011   2.05890
   R47        2.64238   0.00008  -0.00001   0.00011   0.00010   2.64249
   R48        2.05603   0.00002  -0.00011   0.00007  -0.00004   2.05599
   R49        2.64066   0.00013   0.00024  -0.00013   0.00010   2.64076
   R50        2.05817   0.00005  -0.00004   0.00005   0.00001   2.05818
   R51        2.05544  -0.00002  -0.00024   0.00004  -0.00020   2.05524
   R52        2.90286  -0.00178  -0.00327  -0.00107  -0.00435   2.89852
   R53        2.10172   0.00013   0.00160  -0.00030   0.00130   2.10302
   R54        2.08796   0.00058   0.00254  -0.00038   0.00216   2.09012
   R55        2.72809   0.00029  -0.00017   0.00028   0.00011   2.72820
   R56        2.94550   0.00097   0.00340  -0.00028   0.00312   2.94862
   R57        2.10861  -0.00013  -0.00014   0.00003  -0.00010   2.10851
   R58        1.87820   0.00070   0.00237  -0.00043   0.00194   1.88013
   R59        2.90891  -0.00176  -0.00269   0.00086  -0.00183   2.90708
   R60        2.81240   0.00057  -0.00086   0.00273   0.00187   2.81427
   R61        2.13103  -0.00061  -0.00319   0.00018  -0.00302   2.12801
   R62        2.84106   0.00011   0.00043  -0.00039   0.00004   2.84110
   R63        2.11869  -0.00102  -0.00421   0.00067  -0.00354   2.11515
   R64        2.09365   0.00034   0.00288  -0.00026   0.00262   2.09627
   R65        2.65167  -0.00004  -0.00026   0.00011  -0.00015   2.65152
   R66        2.65214  -0.00008   0.00007  -0.00024  -0.00017   2.65196
   R67        2.64021  -0.00018  -0.00047  -0.00006  -0.00053   2.63968
   R68        2.06263   0.00049   0.00110  -0.00034   0.00077   2.06340
   R69        2.64300   0.00019   0.00029   0.00005   0.00034   2.64334
   R70        2.05713   0.00006   0.00032  -0.00002   0.00030   2.05744
   R71        2.64329  -0.00024  -0.00042  -0.00008  -0.00050   2.64280
   R72        2.05498   0.00002   0.00009   0.00002   0.00012   2.05509
   R73        2.63994   0.00034   0.00067   0.00007   0.00074   2.64068
   R74        2.05701  -0.00004   0.00003  -0.00003   0.00000   2.05701
   R75        2.05347   0.00001   0.00024  -0.00005   0.00018   2.05366
   R76        2.61616   0.00158  -0.00480   0.00441  -0.00039   2.61577
   R77        1.93865   0.00093  -0.00428   0.00222  -0.00206   1.93659
   R78        2.29620  -0.00103  -0.00096  -0.00043  -0.00139   2.29481
   R79        2.64468   0.00052   0.00393  -0.00081   0.00312   2.64780
   R80        2.75479   0.00005  -0.00049  -0.00010  -0.00059   2.75420
   R81        2.79307   0.00042   0.00126  -0.00042   0.00084   2.79392
   R82        2.09871   0.00013   0.00048   0.00012   0.00059   2.09930
   R83        2.09696   0.00000   0.00097  -0.00042   0.00055   2.09751
   R84        2.59201  -0.00009  -0.00120  -0.00022  -0.00141   2.59060
   R85        3.28538   0.00013   0.00109   0.00058   0.00168   3.28705
   R86        2.66106   0.00030   0.00113   0.00049   0.00162   2.66267
   R87        2.05354  -0.00013  -0.00021   0.00002  -0.00019   2.05335
   R88        2.48418   0.00011  -0.00131  -0.00011  -0.00142   2.48276
   R89        3.33798  -0.00004   0.00247   0.00033   0.00280   3.34077
   R90        2.04720   0.00018   0.00028   0.00005   0.00033   2.04753
   R91        2.88862   0.00047   0.00112   0.00106   0.00218   2.89080
   R92        2.89207  -0.00029   0.00024  -0.00052  -0.00028   2.89179
   R93        2.12445  -0.00064  -0.00184  -0.00012  -0.00196   2.12249
   R94        2.07829  -0.00002  -0.00318   0.00182  -0.00136   2.07693
   R95        2.08092   0.00014   0.00125  -0.00194  -0.00069   2.08023
   R96        2.07268  -0.00007   0.00190  -0.00033   0.00157   2.07425
   R97        2.07496  -0.00016  -0.00098   0.00020  -0.00078   2.07418
   R98        2.07997   0.00005   0.00039  -0.00006   0.00033   2.08030
   R99        2.06932  -0.00018   0.00004  -0.00024  -0.00020   2.06912
   R100       3.28069  -0.00018  -0.00175   0.00103  -0.00072   3.27997
   R101       2.04075  -0.00001  -0.00015   0.00023   0.00008   2.04083
    A1        1.93486   0.00004  -0.00014   0.00021   0.00007   1.93493
    A2        1.94397   0.00004   0.00036   0.00019   0.00056   1.94453
    A3        1.95998   0.00000   0.00075  -0.00034   0.00042   1.96039
    A4        1.87469  -0.00004  -0.00048   0.00014  -0.00035   1.87434
    A5        1.87090  -0.00004  -0.00087   0.00013  -0.00074   1.87016
    A6        1.87541  -0.00002   0.00030  -0.00033  -0.00004   1.87537
    A7        1.95147  -0.00005  -0.00034   0.00029  -0.00005   1.95142
    A8        1.91955   0.00008   0.00285  -0.00037   0.00247   1.92202
    A9        1.89119  -0.00009  -0.00122  -0.00022  -0.00145   1.88975
   A10        1.93222  -0.00001  -0.00213   0.00014  -0.00200   1.93023
   A11        1.88868   0.00004   0.00028   0.00004   0.00032   1.88900
   A12        1.87852   0.00002   0.00058   0.00012   0.00070   1.87922
   A13        1.96395  -0.00011  -0.00157   0.00033  -0.00124   1.96272
   A14        1.94569   0.00006   0.00037  -0.00004   0.00034   1.94602
   A15        1.93417   0.00003   0.00024   0.00000   0.00023   1.93440
   A16        1.87492   0.00004   0.00049  -0.00024   0.00025   1.87517
   A17        1.86748   0.00000   0.00073  -0.00030   0.00042   1.86790
   A18        1.87319  -0.00003  -0.00018   0.00023   0.00005   1.87324
   A19        2.20771  -0.00001  -0.00036   0.00072   0.00037   2.20808
   A20        2.11876   0.00000   0.00016  -0.00068  -0.00051   2.11825
   A21        1.95668   0.00001   0.00022  -0.00007   0.00015   1.95684
   A22        1.96077  -0.00007  -0.00061   0.00028  -0.00033   1.96044
   A23        2.03489   0.00035   0.00422  -0.00144   0.00279   2.03767
   A24        2.01116   0.00003   0.00034  -0.00007   0.00027   2.01142
   A25        2.23706  -0.00038  -0.00455   0.00152  -0.00304   2.23403
   A26        1.99425  -0.00003  -0.00175   0.00038  -0.00136   1.99289
   A27        1.92252  -0.00020  -0.00305   0.00078  -0.00228   1.92024
   A28        1.90906   0.00044   0.00530  -0.00089   0.00441   1.91347
   A29        1.91224   0.00014   0.00209  -0.00072   0.00137   1.91361
   A30        1.88061  -0.00039  -0.00328   0.00033  -0.00296   1.87765
   A31        1.83821   0.00005   0.00095   0.00009   0.00104   1.83925
   A32        1.98968   0.00055   0.00371  -0.00099   0.00272   1.99240
   A33        2.12679  -0.00031   0.00026   0.00005   0.00032   2.12712
   A34        2.01715  -0.00020   0.00011   0.00004   0.00016   2.01731
   A35        1.89934  -0.00003  -0.00064   0.00013  -0.00050   1.89884
   A36        1.92272   0.00000  -0.00030   0.00001  -0.00030   1.92243
   A37        1.96526  -0.00002  -0.00076   0.00023  -0.00053   1.96473
   A38        1.88709  -0.00005  -0.00102   0.00015  -0.00087   1.88622
   A39        1.90129   0.00005   0.00072  -0.00016   0.00056   1.90185
   A40        1.88652   0.00006   0.00200  -0.00036   0.00164   1.88816
   A41        2.12218  -0.00033  -0.00230   0.00040  -0.00190   2.12027
   A42        2.05687  -0.00024  -0.00107   0.00052  -0.00056   2.05631
   A43        2.10376   0.00056   0.00332  -0.00071   0.00260   2.10636
   A44        2.04029  -0.00010  -0.00492   0.00024  -0.00448   2.03580
   A45        2.08103  -0.00001  -0.00723   0.00150  -0.00553   2.07550
   A46        1.97860   0.00006  -0.00363   0.00079  -0.00260   1.97600
   A47        1.88472   0.00020   0.00432  -0.00003   0.00429   1.88901
   A48        1.90851   0.00031  -0.00096   0.00004  -0.00092   1.90759
   A49        1.89651  -0.00023  -0.00410   0.00033  -0.00377   1.89275
   A50        1.95459  -0.00071  -0.00372  -0.00212  -0.00585   1.94875
   A51        1.92976   0.00035   0.00094   0.00099   0.00193   1.93169
   A52        1.88897   0.00009   0.00341   0.00083   0.00424   1.89321
   A53        2.13371  -0.00076  -0.00087  -0.00145  -0.00232   2.13139
   A54        2.03220   0.00077  -0.00115   0.00132   0.00018   2.03238
   A55        2.11662   0.00001   0.00207   0.00004   0.00211   2.11873
   A56        2.11126  -0.00148  -0.00134  -0.00028  -0.00159   2.10967
   A57        2.11814   0.00045   0.00164  -0.00038   0.00130   2.11944
   A58        2.03208   0.00086   0.00150   0.00040   0.00193   2.03401
   A59        1.91101   0.00056  -0.00057  -0.00040  -0.00097   1.91005
   A60        1.93556  -0.00173  -0.00161   0.00068  -0.00094   1.93462
   A61        1.87846   0.00026  -0.00103  -0.00075  -0.00178   1.87668
   A62        1.95293   0.00134   0.00146  -0.00016   0.00130   1.95423
   A63        1.88493  -0.00025   0.00044   0.00073   0.00118   1.88610
   A64        1.89871  -0.00018   0.00128  -0.00013   0.00115   1.89986
   A65        1.99354   0.00030  -0.00006   0.00060   0.00055   1.99409
   A66        1.89967  -0.00024  -0.00352   0.00025  -0.00327   1.89641
   A67        1.89580   0.00005   0.00224  -0.00023   0.00201   1.89781
   A68        1.91809  -0.00005  -0.00022  -0.00018  -0.00039   1.91769
   A69        1.92250  -0.00008   0.00175  -0.00025   0.00151   1.92401
   A70        1.82661   0.00000  -0.00026  -0.00027  -0.00054   1.82607
   A71        2.09638  -0.00015  -0.00074  -0.00002  -0.00076   2.09562
   A72        2.10150   0.00015   0.00074  -0.00001   0.00073   2.10222
   A73        2.08528   0.00000   0.00001   0.00003   0.00004   2.08531
   A74        2.09712  -0.00001  -0.00009  -0.00003  -0.00012   2.09700
   A75        2.09655   0.00003  -0.00010   0.00022   0.00013   2.09668
   A76        2.08942  -0.00002   0.00021  -0.00020   0.00001   2.08943
   A77        2.09836   0.00006   0.00021  -0.00001   0.00020   2.09856
   A78        2.09089  -0.00002  -0.00017  -0.00002  -0.00020   2.09069
   A79        2.09393  -0.00004  -0.00004   0.00003  -0.00001   2.09392
   A80        2.08993  -0.00002  -0.00011   0.00002  -0.00010   2.08983
   A81        2.09612   0.00005   0.00027   0.00009   0.00036   2.09648
   A82        2.09712  -0.00003  -0.00016  -0.00010  -0.00026   2.09686
   A83        2.09907   0.00000   0.00004   0.00002   0.00006   2.09913
   A84        2.09256   0.00003   0.00026  -0.00004   0.00022   2.09277
   A85        2.09155  -0.00004  -0.00030   0.00002  -0.00027   2.09128
   A86        2.09657  -0.00004  -0.00005  -0.00003  -0.00008   2.09649
   A87        2.09762   0.00002  -0.00008   0.00000  -0.00009   2.09754
   A88        2.08899   0.00002   0.00013   0.00003   0.00016   2.08915
   A89        1.95771  -0.00292  -0.00193   0.00037  -0.00156   1.95616
   A90        1.92250   0.00074   0.00094   0.00054   0.00148   1.92398
   A91        1.90763   0.00108   0.00036  -0.00028   0.00008   1.90771
   A92        1.89415   0.00080  -0.00055  -0.00064  -0.00118   1.89296
   A93        1.93426   0.00092   0.00309  -0.00075   0.00233   1.93659
   A94        1.84420  -0.00047  -0.00189   0.00079  -0.00110   1.84310
   A95        1.85412  -0.00023  -0.00874   0.00163  -0.00709   1.84703
   A96        1.95839   0.00122   0.00280   0.00081   0.00359   1.96198
   A97        1.95771  -0.00064   0.00054  -0.00018   0.00036   1.95807
   A98        1.83577  -0.00025   0.00574  -0.00425   0.00149   1.83726
   A99        1.90579   0.00008   0.00238   0.00047   0.00288   1.90867
   A100       1.94493  -0.00018  -0.00267   0.00126  -0.00139   1.94354
   A101       1.92302  -0.00037  -0.00047  -0.00011  -0.00058   1.92243
   A102       1.93577   0.00036   0.00074   0.00038   0.00114   1.93692
   A103       1.90771  -0.00102  -0.00557   0.00031  -0.00526   1.90245
   A104       1.90058   0.00036  -0.00095   0.00023  -0.00073   1.89984
   A105       1.96850   0.00052  -0.00151   0.00149   0.00000   1.96850
   A106       1.91841  -0.00054  -0.00154  -0.00116  -0.00271   1.91570
   A107       1.82909   0.00033   0.00918  -0.00137   0.00781   1.83690
   A108       1.94896   0.00035   0.00318  -0.00088   0.00230   1.95126
   A109       1.92117  -0.00017  -0.00182   0.00109  -0.00073   1.92044
   A110       1.92459  -0.00058  -0.00754   0.00062  -0.00691   1.91768
   A111       1.92097   0.00002   0.00318  -0.00073   0.00245   1.92342
   A112       1.92597  -0.00004  -0.00439   0.00121  -0.00317   1.92280
   A113       1.81796   0.00041   0.00753  -0.00131   0.00622   1.82417
   A114       2.09034   0.00052   0.00284  -0.00079   0.00205   2.09238
   A115       2.10330  -0.00055  -0.00267   0.00060  -0.00206   2.10124
   A116       2.08954   0.00003  -0.00017   0.00019   0.00002   2.08956
   A117       2.09494  -0.00005   0.00001  -0.00011  -0.00010   2.09484
   A118       2.08913  -0.00010  -0.00017  -0.00008  -0.00024   2.08889
   A119       2.09910   0.00015   0.00015   0.00019   0.00035   2.09945
   A120       2.09780   0.00011   0.00041  -0.00003   0.00038   2.09818
   A121       2.09157  -0.00010  -0.00041   0.00005  -0.00036   2.09121
   A122       2.09381  -0.00001   0.00000  -0.00002  -0.00002   2.09379
   A123       2.09137  -0.00004  -0.00026   0.00005  -0.00021   2.09116
   A124       2.09593   0.00004   0.00013  -0.00007   0.00006   2.09599
   A125       2.09588   0.00000   0.00013   0.00002   0.00016   2.09604
   A126       2.09883  -0.00005  -0.00013   0.00002  -0.00011   2.09872
   A127       2.09242   0.00005   0.00042  -0.00001   0.00042   2.09283
   A128       2.09194   0.00000  -0.00029  -0.00001  -0.00031   2.09163
   A129       2.09388  -0.00001   0.00014  -0.00012   0.00002   2.09390
   A130       2.09652   0.00017   0.00131   0.00002   0.00133   2.09785
   A131       2.09279  -0.00016  -0.00145   0.00010  -0.00135   2.09144
   A132       2.14727  -0.00084   0.00355  -0.00354   0.00585   2.15312
   A133       1.99294   0.00003   0.01666  -0.00418   0.01848   2.01142
   A134       2.05008   0.00049   0.01419  -0.00407   0.01625   2.06633
   A135       2.27698   0.00001  -0.00071   0.00002  -0.00041   2.27657
   A136       1.87014   0.00038   0.00139   0.00039   0.00208   1.87222
   A137       2.13210  -0.00025   0.00101  -0.00100   0.00030   2.13240
   A138       2.02951  -0.00062  -0.00387   0.00058  -0.00329   2.02621
   A139       1.89667  -0.00080   0.00049  -0.00023   0.00027   1.89694
   A140       1.76922   0.00018   0.00153  -0.00040   0.00112   1.77035
   A141       1.90733   0.00035   0.00163  -0.00059   0.00104   1.90837
   A142       1.96302   0.00046  -0.00006   0.00027   0.00021   1.96323
   A143       1.98763   0.00006  -0.00109   0.00012  -0.00097   1.98666
   A144       1.92648  -0.00026  -0.00206   0.00071  -0.00135   1.92513
   A145       2.24643   0.00021   0.00125   0.00127   0.00253   2.24896
   A146       2.12659  -0.00020  -0.00133  -0.00143  -0.00274   2.12385
   A147       1.90982  -0.00001   0.00021   0.00014   0.00035   1.91018
   A148       2.01395  -0.00002   0.00003  -0.00025  -0.00022   2.01373
   A149       2.21035   0.00006  -0.00085   0.00070  -0.00015   2.21021
   A150       2.05886  -0.00004   0.00083  -0.00045   0.00039   2.05924
   A151       1.95288   0.00000   0.00066   0.00032   0.00097   1.95385
   A152       1.97067  -0.00005  -0.00053  -0.00014  -0.00067   1.96999
   A153       2.18748   0.00007   0.00163   0.00054   0.00217   2.18966
   A154       2.12503  -0.00002  -0.00110  -0.00040  -0.00150   2.12353
   A155       1.57735   0.00008  -0.00035  -0.00006  -0.00041   1.57694
   A156       1.96919  -0.00006   0.00003  -0.00067  -0.00063   1.96856
   A157       1.91762   0.00057   0.00000  -0.00005  -0.00004   1.91758
   A158       1.85174  -0.00028   0.00238  -0.00118   0.00121   1.85295
   A159       1.94079  -0.00054  -0.00127   0.00110  -0.00017   1.94062
   A160       1.88607   0.00047   0.00044   0.00169   0.00214   1.88821
   A161       1.89464  -0.00016  -0.00149  -0.00101  -0.00250   1.89215
   A162       1.94846   0.00027   0.00614   0.00174   0.00788   1.95634
   A163       1.95893   0.00079   0.00304   0.00072   0.00377   1.96270
   A164       1.94904  -0.00063  -0.00475   0.00105  -0.00368   1.94537
   A165       1.86757  -0.00045  -0.00565  -0.00256  -0.00821   1.85935
   A166       1.83442   0.00087   0.01799   0.00120   0.01920   1.85362
   A167       1.89935  -0.00088  -0.01675  -0.00234  -0.01905   1.88030
   A168       1.93526  -0.00025  -0.00091  -0.00080  -0.00171   1.93354
   A169       1.96597   0.00005  -0.00084   0.00010  -0.00074   1.96523
   A170       1.95651   0.00009   0.00004   0.00034   0.00039   1.95690
   A171       1.84750   0.00017   0.00574  -0.00034   0.00540   1.85290
   A172       1.86115   0.00011   0.00240  -0.00042   0.00198   1.86314
   A173       1.89120  -0.00016  -0.00608   0.00108  -0.00498   1.88623
   A174       1.91597  -0.00007  -0.00021  -0.00002  -0.00023   1.91574
   A175       2.24738  -0.00023  -0.00481   0.00177  -0.00305   2.24433
   A176       2.11978   0.00030   0.00504  -0.00172   0.00331   2.12310
   A177       1.58019   0.00009   0.00025  -0.00011   0.00015   1.58034
    D1        1.06392  -0.00001  -0.00101   0.00943   0.00842   1.07234
    D2       -3.06515   0.00000  -0.00194   0.00954   0.00760  -3.05755
    D3       -1.01610   0.00002  -0.00036   0.00935   0.00899  -1.00711
    D4       -3.13283   0.00000  -0.00147   0.00987   0.00840  -3.12443
    D5       -0.97872   0.00001  -0.00240   0.00998   0.00758  -0.97115
    D6        1.07032   0.00003  -0.00083   0.00979   0.00897   1.07929
    D7       -1.02838   0.00000  -0.00031   0.00935   0.00903  -1.01935
    D8        1.12573   0.00001  -0.00124   0.00946   0.00821   1.13394
    D9       -3.10841   0.00004   0.00034   0.00927   0.00960  -3.09881
   D10        1.01108   0.00000  -0.01637   0.00611  -0.01026   1.00082
   D11        3.11892   0.00002  -0.01658   0.00600  -0.01057   3.10835
   D12       -1.07907   0.00005  -0.01640   0.00627  -0.01013  -1.08920
   D13       -1.13585  -0.00006  -0.01826   0.00629  -0.01197  -1.14782
   D14        0.97199  -0.00004  -0.01846   0.00618  -0.01228   0.95970
   D15        3.05719  -0.00002  -0.01829   0.00645  -0.01184   3.04534
   D16        3.09259  -0.00011  -0.01791   0.00603  -0.01188   3.08072
   D17       -1.08276  -0.00009  -0.01811   0.00593  -0.01218  -1.09494
   D18        1.00245  -0.00006  -0.01794   0.00619  -0.01175   0.99070
   D19        1.93468   0.00005   0.04754  -0.00439   0.04316   1.97783
   D20       -1.19822   0.00003   0.04143  -0.00048   0.04094  -1.15728
   D21       -2.18319   0.00004   0.04762  -0.00418   0.04344  -2.13975
   D22        0.96709   0.00002   0.04151  -0.00028   0.04123   1.00832
   D23       -0.12224   0.00010   0.04710  -0.00398   0.04312  -0.07912
   D24        3.02805   0.00008   0.04099  -0.00008   0.04091   3.06895
   D25       -3.13335   0.00001  -0.00350   0.00132  -0.00218  -3.13553
   D26        0.00023   0.00003   0.00214  -0.00228  -0.00014   0.00009
   D27        3.13266  -0.00001   0.00300  -0.00033   0.00267   3.13533
   D28       -0.00139  -0.00003  -0.00231   0.00305   0.00075  -0.00064
   D29        3.13065   0.00000  -0.00002   0.00068   0.00065   3.13130
   D30        0.00151  -0.00002  -0.00077  -0.00001  -0.00078   0.00073
   D31        2.13372  -0.00007   0.00311   0.00483   0.00795   2.14167
   D32       -1.98833  -0.00007   0.00219   0.00478   0.00696  -1.98137
   D33        0.02417   0.00013   0.00464   0.00481   0.00945   0.03362
   D34       -1.02221  -0.00004   0.00401   0.00561   0.00963  -1.01258
   D35        1.13893  -0.00004   0.00309   0.00556   0.00864   1.14757
   D36       -3.13176   0.00016   0.00554   0.00559   0.01113  -3.12063
   D37       -0.00252   0.00000  -0.00100   0.00233   0.00132  -0.00119
   D38       -3.13316  -0.00005  -0.00299  -0.00034  -0.00333  -3.13648
   D39       -3.12994  -0.00003  -0.00191   0.00156  -0.00035  -3.13029
   D40        0.02261  -0.00008  -0.00390  -0.00110  -0.00501   0.01760
   D41       -1.26995   0.00005   0.01992   0.00011   0.02002  -1.24993
   D42        1.28533   0.00007   0.02734  -0.00150   0.02584   1.31117
   D43        2.84659   0.00023   0.02359  -0.00064   0.02295   2.86954
   D44       -0.88131   0.00025   0.03101  -0.00225   0.02877  -0.85254
   D45        0.85531   0.00030   0.02316  -0.00055   0.02261   0.87792
   D46       -2.87259   0.00032   0.03058  -0.00215   0.02843  -2.84417
   D47       -1.18945  -0.00005   0.00154  -0.00037   0.00117  -1.18828
   D48        3.02768   0.00003   0.00333  -0.00063   0.00270   3.03038
   D49        0.92035  -0.00002   0.00151  -0.00033   0.00118   0.92153
   D50        2.50016  -0.00001  -0.00536   0.00110  -0.00425   2.49590
   D51        0.43410   0.00007  -0.00356   0.00084  -0.00272   0.43138
   D52       -1.67323   0.00002  -0.00539   0.00114  -0.00424  -1.67747
   D53       -2.85446  -0.00030  -0.02049   0.00505  -0.01545  -2.86991
   D54        0.31657  -0.00016  -0.01875  -0.00276  -0.02151   0.29506
   D55       -0.30768  -0.00006  -0.01187   0.00311  -0.00876  -0.31645
   D56        2.86335   0.00009  -0.01013  -0.00471  -0.01483   2.84853
   D57        2.77613   0.00013   0.01746   0.00000   0.01742   2.79355
   D58        0.28869   0.00018   0.04195  -0.00423   0.03777   0.32647
   D59       -0.33634   0.00029   0.01928  -0.00774   0.01148  -0.32486
   D60       -2.82378   0.00034   0.04377  -0.01198   0.03184  -2.79194
   D61       -1.83555  -0.00016   0.06412  -0.01016   0.05397  -1.78158
   D62        2.31674   0.00039   0.06659  -0.00758   0.05901   2.37576
   D63        0.25828   0.00024   0.06539  -0.00880   0.05660   0.31488
   D64        0.68925  -0.00023   0.03962  -0.00589   0.03372   0.72297
   D65       -1.44164   0.00033   0.04209  -0.00331   0.03877  -1.40287
   D66        2.78308   0.00018   0.04089  -0.00453   0.03636   2.81944
   D67       -0.56333  -0.00008  -0.02312  -0.00345  -0.02658  -0.58991
   D68        2.53987   0.00054  -0.02152  -0.00593  -0.02745   2.51242
   D69        1.53893   0.00001  -0.02378  -0.00472  -0.02850   1.51043
   D70       -1.64105   0.00062  -0.02218  -0.00720  -0.02937  -1.67043
   D71       -2.63610  -0.00012  -0.02132  -0.00441  -0.02573  -2.66183
   D72        0.46710   0.00049  -0.01971  -0.00689  -0.02660   0.44050
   D73        1.12829   0.00048   0.05950  -0.01462   0.04488   1.17316
   D74       -2.97845   0.00017   0.05786  -0.01371   0.04416  -2.93429
   D75       -0.93363   0.00011   0.05743  -0.01557   0.04186  -0.89177
   D76       -0.96008   0.00047   0.05710  -0.01328   0.04382  -0.91626
   D77        1.21637   0.00015   0.05546  -0.01236   0.04310   1.25947
   D78       -3.02199   0.00010   0.05503  -0.01422   0.04081  -2.98119
   D79       -3.09172   0.00043   0.05600  -0.01372   0.04228  -3.04944
   D80       -0.91527   0.00011   0.05436  -0.01281   0.04155  -0.87371
   D81        1.12956   0.00006   0.05393  -0.01467   0.03926   1.16881
   D82        3.11520  -0.00083  -0.00328   0.00262  -0.00067   3.11453
   D83        0.20385  -0.00010  -0.01359   0.00395  -0.00964   0.19420
   D84       -0.06438  -0.00024  -0.00176   0.00013  -0.00164  -0.06602
   D85       -2.97573   0.00049  -0.01208   0.00146  -0.01061  -2.98635
   D86        2.50261   0.00070  -0.04049   0.01601  -0.02448   2.47813
   D87       -1.61709   0.00160  -0.04013   0.01599  -0.02415  -1.64123
   D88        0.45787   0.00055  -0.04013   0.01576  -0.02437   0.43350
   D89       -0.85836  -0.00003  -0.03063   0.01465  -0.01598  -0.87434
   D90        1.30513   0.00087  -0.03027   0.01463  -0.01564   1.28949
   D91       -2.90310  -0.00018  -0.03027   0.01441  -0.01586  -2.91897
   D92        1.07859  -0.00051   0.00055  -0.00013   0.00042   1.07901
   D93       -1.07201  -0.00047   0.00353  -0.00050   0.00303  -1.06899
   D94       -3.05118  -0.00037   0.00450  -0.00020   0.00430  -3.04688
   D95       -1.07468   0.00038   0.00201  -0.00060   0.00141  -1.07327
   D96        3.05790   0.00042   0.00500  -0.00098   0.00402   3.06192
   D97        1.07873   0.00052   0.00597  -0.00067   0.00530   1.08403
   D98        3.11926  -0.00004  -0.00075  -0.00082  -0.00157   3.11770
   D99        0.96866   0.00000   0.00224  -0.00120   0.00104   0.96970
   D100      -1.01051   0.00010   0.00321  -0.00089   0.00232  -1.00820
   D101       1.17564  -0.00045  -0.00642   0.00262  -0.00379   1.17185
   D102      -0.93617  -0.00003  -0.00508   0.00281  -0.00227  -0.93843
   D103      -2.95506  -0.00050  -0.00353   0.00171  -0.00182  -2.95688
   D104      -2.96819  -0.00003  -0.00728   0.00249  -0.00479  -2.97298
   D105       1.20319   0.00040  -0.00594   0.00268  -0.00327   1.19992
   D106      -0.81570  -0.00008  -0.00440   0.00158  -0.00282  -0.81853
   D107      -0.88705   0.00036  -0.00499   0.00321  -0.00178  -0.88883
   D108      -2.99886   0.00079  -0.00365   0.00340  -0.00025  -2.99911
   D109       1.26543   0.00031  -0.00211   0.00230   0.00019   1.26562
   D110      -1.59646   0.00004  -0.00047  -0.00386  -0.00433  -1.60079
   D111       1.55381   0.00005  -0.00125  -0.00337  -0.00463   1.54918
   D112       0.54415  -0.00010  -0.00528  -0.00324  -0.00852   0.53563
   D113      -2.58876  -0.00009  -0.00606  -0.00275  -0.00882  -2.59758
   D114       2.54781  -0.00018  -0.00473  -0.00381  -0.00854   2.53927
   D115      -0.58511  -0.00017  -0.00551  -0.00332  -0.00883  -0.59394
   D116       3.14053  -0.00001  -0.00048   0.00034  -0.00014   3.14039
   D117      -0.01637   0.00001   0.00156   0.00005   0.00161  -0.01476
   D118      -0.00965  -0.00001   0.00030  -0.00014   0.00015  -0.00950
   D119       3.11663   0.00000   0.00234  -0.00044   0.00191   3.11853
   D120      -3.14091   0.00000   0.00070  -0.00038   0.00032  -3.14058
   D121       0.00440   0.00004   0.00222  -0.00052   0.00170   0.00610
   D122       0.00931   0.00001  -0.00008   0.00011   0.00003   0.00934
   D123      -3.12857   0.00005   0.00145  -0.00004   0.00141  -3.12716
   D124       0.00260   0.00001  -0.00019   0.00007  -0.00012   0.00248
   D125       3.13988   0.00001   0.00038  -0.00002   0.00036   3.14024
   D126      -3.12374  -0.00001  -0.00223   0.00036  -0.00187  -3.12561
   D127       0.01354   0.00000  -0.00166   0.00027  -0.00139   0.01215
   D128       0.00485   0.00000  -0.00014   0.00003  -0.00010   0.00475
   D129      -3.14150   0.00000   0.00013  -0.00006   0.00007  -3.14143
   D130      -3.13242  -0.00001  -0.00071   0.00012  -0.00058  -3.13301
   D131       0.00442  -0.00001  -0.00044   0.00003  -0.00041   0.00400
   D132      -0.00520   0.00000   0.00036  -0.00007   0.00029  -0.00491
   D133       3.13439  -0.00001   0.00032  -0.00008   0.00024   3.13463
   D134       3.14115   0.00000   0.00009   0.00003   0.00012   3.14127
   D135      -0.00245  -0.00001   0.00005   0.00002   0.00006  -0.00238
   D136      -0.00191   0.00000  -0.00025   0.00000  -0.00026  -0.00217
   D137       3.13599  -0.00004  -0.00177   0.00014  -0.00163   3.13436
   D138      -3.14150   0.00000  -0.00021   0.00001  -0.00020   3.14148
   D139      -0.00360  -0.00003  -0.00173   0.00015  -0.00158  -0.00518
   D140      -1.67804   0.00051  -0.00283  -0.01232  -0.01515  -1.69319
   D141       2.60807   0.00032  -0.00599  -0.00861  -0.01460   2.59348
   D142       0.40299   0.00010  -0.00508  -0.01082  -0.01590   0.38708
   D143       0.45003   0.00011  -0.00327  -0.01184  -0.01510   0.43492
   D144      -1.54704  -0.00008  -0.00642  -0.00813  -0.01455  -1.56159
   D145       2.53106  -0.00030  -0.00551  -0.01034  -0.01586   2.51520
   D146       2.46769   0.00052  -0.00416  -0.01167  -0.01583   2.45186
   D147       0.47062   0.00033  -0.00732  -0.00796  -0.01528   0.45534
   D148      -1.73446   0.00011  -0.00641  -0.01017  -0.01659  -1.75105
   D149       2.17578  -0.00120   0.09360  -0.03736   0.05621   2.23199
   D150      -2.02807  -0.00003   0.09536  -0.03772   0.05767  -1.97039
   D151       0.06107  -0.00034   0.09671  -0.03836   0.05834   0.11940
   D152      -1.27281   0.00017   0.03274   0.01126   0.04399  -1.22882
   D153       2.82925  -0.00002   0.03806   0.00887   0.04693   2.87618
   D154       0.84043  -0.00005   0.03066   0.01021   0.04087   0.88130
   D155       3.00212  -0.00001   0.03840   0.01138   0.04979   3.05191
   D156       0.82098  -0.00020   0.04373   0.00899   0.05273   0.87371
   D157      -1.16783  -0.00023   0.03633   0.01033   0.04667  -1.12116
   D158       0.93918   0.00013   0.03353   0.01267   0.04620   0.98538
   D159      -1.24195  -0.00005   0.03886   0.01029   0.04914  -1.19281
   D160       3.05242  -0.00009   0.03146   0.01162   0.04308   3.09550
   D161       2.91107   0.00025   0.03411  -0.00367   0.03043   2.94150
   D162      -1.23301   0.00040   0.03907  -0.00444   0.03463  -1.19838
   D163       0.76314   0.00047   0.04286  -0.00506   0.03780   0.80094
   D164      -1.22570  -0.00044   0.02632  -0.00190   0.02441  -1.20129
   D165       0.91340  -0.00029   0.03129  -0.00267   0.02862   0.94202
   D166       2.90955  -0.00022   0.03507  -0.00328   0.03179   2.94134
   D167       0.80838  -0.00007   0.03583  -0.00345   0.03238   0.84076
   D168       2.94748   0.00008   0.04080  -0.00422   0.03659   2.98407
   D169      -1.33955   0.00015   0.04458  -0.00483   0.03975  -1.29979
   D170       1.38740  -0.00034   0.01109  -0.00910   0.00156   1.38896
   D171      -1.29176   0.00025  -0.13255   0.01952  -0.11262  -1.40438
   D172      -0.77458  -0.00041   0.01525  -0.01087   0.00397  -0.77062
   D173       2.82945   0.00018  -0.12839   0.01774  -0.11022   2.71923
   D174      -2.86109  -0.00024   0.01212  -0.00941   0.00229  -2.85880
   D175       0.74294   0.00035  -0.13153   0.01921  -0.11189   0.63105
   D176       1.73942   0.00016   0.02794  -0.01198   0.01596   1.75538
   D177      -1.40411   0.00014   0.02628  -0.01120   0.01508  -1.38903
   D178      -0.39979   0.00012   0.02581  -0.01225   0.01357  -0.38623
   D179       2.73986   0.00010   0.02414  -0.01147   0.01268   2.75254
   D180      -2.39662  -0.00036   0.01739  -0.01093   0.00646  -2.39016
   D181       0.74303  -0.00039   0.01573  -0.01015   0.00557   0.74861
   D182       3.13620   0.00000  -0.00076   0.00085   0.00009   3.13628
   D183      -0.00981  -0.00004  -0.00079   0.00123   0.00044  -0.00937
   D184      -0.00347   0.00002   0.00089   0.00008   0.00097  -0.00250
   D185       3.13371  -0.00001   0.00086   0.00046   0.00132   3.13502
   D186      -3.13723   0.00001   0.00102  -0.00074   0.00028  -3.13695
   D187       0.00292   0.00002   0.00075  -0.00066   0.00009   0.00301
   D188       0.00242  -0.00001  -0.00064   0.00004  -0.00060   0.00182
   D189      -3.14061  -0.00001  -0.00091   0.00012  -0.00079  -3.14140
   D190       0.00188  -0.00002  -0.00048  -0.00011  -0.00058   0.00130
   D191      -3.13983  -0.00004  -0.00063  -0.00014  -0.00077  -3.14060
   D192      -3.13527   0.00001  -0.00044  -0.00049  -0.00093  -3.13620
   D193       0.00620   0.00000  -0.00060  -0.00052  -0.00112   0.00509
   D194       0.00077   0.00001  -0.00020   0.00002  -0.00017   0.00059
   D195      -3.14017  -0.00002  -0.00070   0.00008  -0.00062  -3.14079
   D196      -3.14070   0.00002  -0.00004   0.00005   0.00001  -3.14069
   D197       0.00154   0.00000  -0.00054   0.00011  -0.00043   0.00111
   D198      -0.00182   0.00001   0.00045   0.00009   0.00054  -0.00128
   D199       3.14001   0.00000   0.00083   0.00001   0.00085   3.14085
   D200       3.13912   0.00003   0.00095   0.00003   0.00099   3.14010
   D201      -0.00224   0.00003   0.00133  -0.00005   0.00129  -0.00095
   D202       0.00022  -0.00001  -0.00003  -0.00012  -0.00015   0.00007
   D203      -3.13994  -0.00001   0.00023  -0.00020   0.00003  -3.13991
   D204       3.14158   0.00000  -0.00041  -0.00004  -0.00046   3.14112
   D205       0.00142  -0.00001  -0.00015  -0.00012  -0.00027   0.00115
   D206       0.37123  -0.00001  -0.11842   0.03048  -0.08767   0.28356
   D207      -2.86640   0.00163  -0.08345   0.02328  -0.05989  -2.92629
   D208       3.03635  -0.00075   0.02960   0.00097   0.03030   3.06666
   D209      -0.20127   0.00089   0.06457  -0.00622   0.05808  -0.14319
   D210       3.08902  -0.00115  -0.05395   0.00695  -0.04698   3.04204
   D211      -0.13886   0.00033  -0.02259   0.00054  -0.02206  -0.16092
   D212      -1.55481   0.00037  -0.01598   0.00482  -0.01116  -1.56596
   D213       2.65749   0.00008  -0.01687   0.00481  -0.01206   2.64543
   D214       0.62368   0.00015  -0.01594   0.00444  -0.01150   0.61218
   D215      -1.04562  -0.00001   0.14147  -0.02478   0.11668  -0.92893
   D216       2.06515  -0.00011   0.15011  -0.02579   0.12432   2.18948
   D217       0.89878   0.00000   0.14355  -0.02526   0.11830   1.01707
   D218      -2.27364  -0.00011   0.15220  -0.02626   0.12594  -2.14770
   D219       3.10720   0.00009   0.13975  -0.02395   0.11580  -3.06019
   D220      -0.06521  -0.00002   0.14839  -0.02495   0.12344   0.05822
   D221       3.11958  -0.00008   0.00611  -0.00074   0.00537   3.12495
   D222      -0.01451  -0.00016   0.00202  -0.00099   0.00103  -0.01348
   D223       0.00575   0.00001  -0.00166   0.00019  -0.00148   0.00427
   D224      -3.12834  -0.00007  -0.00575  -0.00006  -0.00582  -3.13416
   D225      -3.12626   0.00005  -0.00592   0.00126  -0.00466  -3.13092
   D226      -0.01017  -0.00003   0.00125   0.00045   0.00170  -0.00847
   D227       0.00418   0.00002   0.00125  -0.00099   0.00026   0.00444
   D228       3.13896   0.00009   0.00497  -0.00076   0.00420  -3.14002
   D229      -0.01213  -0.00004  -0.00021   0.00132   0.00110  -0.01102
   D230       3.13146   0.00007   0.00073  -0.00015   0.00057   3.13203
   D231       0.01317   0.00004  -0.00061  -0.00105  -0.00166   0.01151
   D232      -3.13034  -0.00007  -0.00150   0.00036  -0.00114  -3.13148
   D233      -1.18714   0.00062   0.24048  -0.00277   0.23770  -0.94943
   D234       0.90967   0.00078   0.23968  -0.00435   0.23534   1.14501
   D235       3.04804  -0.00025   0.21674  -0.00610   0.21063  -3.02451
   D236       2.93230   0.00033   0.24142  -0.00306   0.23836  -3.11252
   D237      -1.25408   0.00049   0.24062  -0.00463   0.23600  -1.01808
   D238       0.88430  -0.00054   0.21768  -0.00638   0.21130   1.09560
   D239       0.85456   0.00055   0.24372  -0.00353   0.24019   1.09475
   D240       2.95137   0.00070   0.24291  -0.00510   0.23783  -3.09399
   D241      -1.19344  -0.00032   0.21998  -0.00685   0.21312  -0.98032
   D242       3.08835  -0.00020  -0.00383  -0.01165  -0.01548   3.07287
   D243      -1.12801  -0.00012   0.00227  -0.01256  -0.01029  -1.13830
   D244       1.01047  -0.00023  -0.00628  -0.01080  -0.01709   0.99338
   D245      -1.00209  -0.00024  -0.00470  -0.01175  -0.01645  -1.01854
   D246       1.06473  -0.00017   0.00140  -0.01266  -0.01126   1.05347
   D247      -3.07997  -0.00028  -0.00715  -0.01091  -0.01806  -3.09803
   D248       1.07051  -0.00008  -0.00585  -0.00965  -0.01550   1.05501
   D249       3.13733   0.00000   0.00025  -0.01056  -0.01030   3.12703
   D250      -1.00737  -0.00011  -0.00830  -0.00881  -0.01711  -1.02448
   D251       0.00215   0.00002   0.00179  -0.00293  -0.00114   0.00101
   D252       3.13373   0.00005   0.00357  -0.00047   0.00309   3.13682
         Item               Value     Threshold  Converged?
 Maximum Force            0.002917     0.000450     NO 
 RMS     Force            0.000408     0.000300     NO 
 Maximum Displacement     0.699230     0.001800     NO 
 RMS     Displacement     0.125815     0.001200     NO 
 Predicted change in Energy=-9.196981D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -8.930503   -2.726284   -0.244659
      2          6           0       -8.934403   -1.247590   -0.645727
      3          6           0       -9.970221   -0.445744    0.147446
      4          6           0       -7.568219   -0.662625   -0.469290
      5          7           0       -6.773496   -0.234317   -1.421283
      6          6           0       -5.540951    0.255744   -0.915093
      7          6           0       -4.546909    0.760474   -1.925125
      8          7           0       -4.126320    2.166081   -1.713290
      9          6           0       -5.176015    3.170697   -2.034094
     10          6           0       -3.224355    2.530799   -0.680253
     11          8           0       -3.094913    3.697072   -0.325614
     12          7           0       -2.446466    1.498822   -0.082274
     13          6           0       -1.221503    1.922467    0.639584
     14          6           0       -0.006298    1.638340   -0.264770
     15          8           0        0.029061    0.677978   -1.026921
     16          7           0        1.032990    2.555343   -0.209159
     17          6           0        2.268155    2.359304   -1.015160
     18          6           0        2.758547    3.725653   -1.545371
     19          6           0        3.128854    4.708957   -0.469479
     20          6           0        2.169352    5.608482    0.021990
     21          6           0        2.511201    6.521756    1.022543
     22          6           0        3.810850    6.547682    1.538285
     23          6           0        4.770866    5.658842    1.044628
     24          6           0        4.434575    4.743093    0.044065
     25          6           0        3.353691    1.637011   -0.189667
     26          6           0        2.962568    0.190217    0.136589
     27          8           0        2.405909    0.223567    1.468238
     28          6           0        4.201285   -0.753726    0.232598
     29          6           0        4.825679   -0.985735   -1.154071
     30          6           0        6.167369   -1.657149   -1.056975
     31          6           0        6.278158   -3.035581   -1.294472
     32          6           0        7.524286   -3.661250   -1.211291
     33          6           0        8.665030   -2.918240   -0.889939
     34          6           0        8.555630   -1.544687   -0.650760
     35          6           0        7.312066   -0.912671   -0.733195
     36          7           0        3.794761   -2.020723    0.901411
     37          6           0        3.128007   -3.044804    0.251241
     38          8           0        2.983763   -3.262613   -0.934684
     39          8           0        2.664534   -3.929315    1.234129
     40          6           0        1.818348   -5.020252    0.767213
     41          6           0        0.409675   -4.572157    0.794556
     42          6           0       -0.299159   -4.026179    1.833204
     43          7           0       -1.632523   -3.679293    1.537965
     44          6           0       -1.948460   -3.958194    0.293569
     45         16           0       -0.604419   -4.659325   -0.615992
     46          6           0       -1.126530    1.150812    1.989071
     47          6           0       -0.883498   -0.347504    1.799068
     48          6           0       -0.046141    1.778759    2.872345
     49          6           0       -5.403434    0.195159    0.441947
     50         16           0       -6.835376   -0.486665    1.147111
     51          1           0       -9.903254   -3.188972   -0.449342
     52          1           0       -8.174476   -3.291082   -0.804210
     53          1           0       -8.723322   -2.867742    0.822817
     54          1           0       -9.197564   -1.178727   -1.740234
     55          1           0       -9.814687   -0.516382    1.230623
     56          1           0       -9.945577    0.618272   -0.119622
     57          1           0      -10.984454   -0.810106   -0.055706
     58          1           0       -3.648072    0.098048   -1.940979
     59          1           0       -4.986945    0.689848   -2.955142
     60          1           0       -5.351618    3.165717   -3.122196
     61          1           0       -4.834763    4.184631   -1.745624
     62          1           0       -6.127845    2.967966   -1.516662
     63          1           0       -2.334310    0.606904   -0.582720
     64          1           0       -1.302558    3.027469    0.863764
     65          1           0        1.069138    3.274381    0.511665
     66          1           0        1.996463    1.716177   -1.902904
     67          1           0        1.968031    4.158783   -2.197982
     68          1           0        3.620486    3.556273   -2.223924
     69          1           0        1.158169    5.605733   -0.384332
     70          1           0        1.762321    7.217977    1.398727
     71          1           0        4.074898    7.259571    2.317517
     72          1           0        5.785574    5.681045    1.439726
     73          1           0        5.190330    4.060597   -0.337875
     74          1           0        3.533565    2.177526    0.766347
     75          1           0        4.314024    1.673356   -0.737184
     76          1           0        2.200382   -0.210484   -0.572961
     77          1           0        1.514011   -0.217221    1.477967
     78          1           0        4.961966   -0.287149    0.919447
     79          1           0        4.133765   -1.594646   -1.789122
     80          1           0        4.919280   -0.020051   -1.691880
     81          1           0        5.386136   -3.615344   -1.540293
     82          1           0        7.606504   -4.730861   -1.397147
     83          1           0        9.634290   -3.407302   -0.826470
     84          1           0        9.442214   -0.965108   -0.399891
     85          1           0        7.235098    0.155333   -0.547554
     86          1           0        3.744152   -1.978389    1.924084
     87          1           0        2.029877   -5.803372    1.526216
     88          1           0        2.164287   -5.351096   -0.234219
     89          1           0        0.065775   -3.838285    2.839280
     90          1           0       -2.917000   -3.789588   -0.161937
     91          1           0       -2.120174    1.283304    2.495661
     92          1           0       -1.634995   -0.808135    1.142549
     93          1           0        0.098302   -0.560459    1.349065
     94          1           0       -0.938129   -0.887382    2.753201
     95          1           0       -0.014057    1.290618    3.854912
     96          1           0        0.963043    1.674262    2.445153
     97          1           0       -0.229413    2.842774    3.054436
     98          1           0       -4.567166    0.509016    1.048963
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0650663      0.0299739      0.0222428
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3566.1159030853 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.247705916345     A.U. after   19 cycles
             Convg  =    0.8238D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000039159   -0.000078359   -0.000039811
      2        6           0.000017164   -0.000031796    0.000007049
      3        6           0.000002245   -0.000014434   -0.000050765
      4        6          -0.000143604    0.000008400    0.000147604
      5        7           0.000064267   -0.000079865   -0.000055157
      6        6          -0.000053174    0.000019559   -0.000147988
      7        6          -0.000070625    0.000108530    0.000190801
      8        7           0.000196945    0.000356258   -0.000152280
      9        6           0.000300150   -0.000199904    0.000036505
     10        6           0.000289342   -0.000544117    0.000088785
     11        8          -0.000220058    0.000220341   -0.000198728
     12        7           0.000126480    0.000232884    0.000192551
     13        6          -0.000139595    0.000108806    0.000202377
     14        6          -0.000192709    0.000126727    0.000104822
     15        8           0.000001663   -0.000115557   -0.000039625
     16        7           0.000181720   -0.000144420    0.000137000
     17        6          -0.000439036    0.000052079    0.000324296
     18        6          -0.000100478   -0.000236416   -0.000051802
     19        6          -0.000007771    0.000061732   -0.000034467
     20        6           0.000008951    0.000049053   -0.000080739
     21        6          -0.000045858   -0.000024816    0.000009262
     22        6           0.000075384   -0.000000898   -0.000013556
     23        6           0.000006362   -0.000036303    0.000006871
     24        6          -0.000027855    0.000018355    0.000075738
     25        6           0.000595752    0.000533845    0.000013175
     26        6           0.000188050   -0.000246586   -0.000551072
     27        8          -0.001146680   -0.000339557    0.000386078
     28        6           0.000001923    0.000355461    0.000291629
     29        6           0.000533870    0.000551818    0.000519797
     30        6          -0.000064105    0.000069553    0.000141787
     31        6          -0.000237273   -0.000068589    0.000031285
     32        6           0.000082231   -0.000000836   -0.000031764
     33        6          -0.000024599   -0.000100436   -0.000056831
     34        6          -0.000171384    0.000019332    0.000066413
     35        6           0.000213963    0.000052727   -0.000123931
     36        7          -0.001067259    0.001094046   -0.000137231
     37        6          -0.000298004   -0.001226054   -0.000578643
     38        8           0.000089472   -0.000450809   -0.000010296
     39        8           0.000265801   -0.000410355    0.000096673
     40        6          -0.000110162    0.000023990   -0.000108366
     41        6           0.000139717    0.000132813   -0.000034846
     42        6          -0.000017076   -0.000035551    0.000021068
     43        7           0.000029804   -0.000119272   -0.000000112
     44        6          -0.000191466    0.000234208    0.000104456
     45       16           0.000170576   -0.000170992   -0.000110529
     46        6           0.000049741    0.000219797    0.000064802
     47        6           0.001093919   -0.000125505   -0.000206715
     48        6          -0.000024445    0.000256727    0.000357864
     49        6          -0.000023561    0.000037488    0.000181649
     50       16           0.000020902   -0.000012602   -0.000186024
     51        1           0.000002526    0.000007021    0.000001873
     52        1          -0.000017087    0.000026216    0.000006812
     53        1           0.000025825    0.000021261    0.000012606
     54        1           0.000000501    0.000056397    0.000060813
     55        1          -0.000021590    0.000033164    0.000019644
     56        1          -0.000013222    0.000005908    0.000021183
     57        1           0.000000390    0.000003439   -0.000018723
     58        1           0.000064229   -0.000030623    0.000134223
     59        1          -0.000125886   -0.000083348   -0.000136944
     60        1           0.000000672    0.000042978   -0.000057291
     61        1          -0.000027388    0.000054869   -0.000013964
     62        1          -0.000080536   -0.000027735   -0.000029384
     63        1          -0.000110723   -0.000102900   -0.000203222
     64        1           0.000049991   -0.000020204    0.000086638
     65        1           0.000040910    0.000114396   -0.000110004
     66        1           0.000082307   -0.000007584    0.000045829
     67        1           0.000071088    0.000061596    0.000002434
     68        1           0.000044005    0.000002073   -0.000081175
     69        1          -0.000011985   -0.000018390    0.000008958
     70        1           0.000009109   -0.000004386    0.000001561
     71        1          -0.000009837   -0.000006195    0.000001388
     72        1          -0.000018113   -0.000004474    0.000007074
     73        1          -0.000003540   -0.000002322   -0.000028081
     74        1           0.000003109   -0.000022726    0.000063712
     75        1          -0.000190730   -0.000118848   -0.000113816
     76        1          -0.000165972    0.000024134    0.000048941
     77        1           0.000798665    0.000255403   -0.000154292
     78        1          -0.000038631    0.000202796   -0.000053005
     79        1          -0.000006560   -0.000360209    0.000224846
     80        1           0.000057721   -0.000362876    0.000051049
     81        1           0.000144898    0.000106631    0.000038408
     82        1           0.000002028    0.000010162    0.000016105
     83        1           0.000006955   -0.000007806    0.000010438
     84        1           0.000016829    0.000014314   -0.000004584
     85        1          -0.000042256   -0.000029932    0.000021943
     86        1           0.000436516    0.000347225   -0.000479819
     87        1          -0.000082456   -0.000025432    0.000018547
     88        1          -0.000107266    0.000062761    0.000129337
     89        1           0.000023584    0.000052979   -0.000007190
     90        1           0.000033898   -0.000000247   -0.000031998
     91        1          -0.000197284    0.000124990    0.000204875
     92        1          -0.000045769   -0.000584348    0.000144803
     93        1          -0.000421587    0.000265923   -0.000113315
     94        1           0.000021131   -0.000165807   -0.000206470
     95        1           0.000101338    0.000006388   -0.000049500
     96        1          -0.000027358   -0.000099166   -0.000045112
     97        1          -0.000166432    0.000046646   -0.000137107
     98        1          -0.000074794    0.000005384   -0.000108102
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001226054 RMS     0.000226748

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001980228 RMS     0.000217447
 Search for a local minimum.
 Step number  33 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   30   31   32   33
 DE= -4.59D-05 DEPred=-9.20D-05 R= 4.99D-01
 Trust test= 4.99D-01 RLast= 8.50D-01 DXMaxT set to 2.50D+00
     Eigenvalues ---    0.00002   0.00146   0.00171   0.00215   0.00319
     Eigenvalues ---    0.00385   0.00477   0.00570   0.00607   0.00635
     Eigenvalues ---    0.00721   0.00736   0.00836   0.00919   0.00943
     Eigenvalues ---    0.00966   0.01024   0.01100   0.01203   0.01272
     Eigenvalues ---    0.01300   0.01315   0.01362   0.01419   0.01423
     Eigenvalues ---    0.01444   0.01483   0.01555   0.01590   0.01649
     Eigenvalues ---    0.01665   0.01748   0.01896   0.01928   0.01993
     Eigenvalues ---    0.02101   0.02182   0.02194   0.02203   0.02220
     Eigenvalues ---    0.02234   0.02258   0.02269   0.02289   0.02327
     Eigenvalues ---    0.02342   0.02375   0.02405   0.02408   0.02415
     Eigenvalues ---    0.02449   0.02482   0.02485   0.02527   0.02528
     Eigenvalues ---    0.02561   0.02658   0.02704   0.02766   0.03334
     Eigenvalues ---    0.03437   0.04016   0.04070   0.04132   0.04191
     Eigenvalues ---    0.04293   0.04439   0.04654   0.04759   0.04819
     Eigenvalues ---    0.04942   0.04988   0.05053   0.05112   0.05194
     Eigenvalues ---    0.05287   0.05316   0.05390   0.05422   0.05447
     Eigenvalues ---    0.05533   0.05592   0.05688   0.05729   0.05786
     Eigenvalues ---    0.05845   0.05913   0.05979   0.06003   0.06105
     Eigenvalues ---    0.06252   0.06389   0.06491   0.06650   0.06908
     Eigenvalues ---    0.07137   0.07511   0.07525   0.08042   0.08289
     Eigenvalues ---    0.08644   0.09619   0.09837   0.10079   0.10344
     Eigenvalues ---    0.11932   0.12906   0.13113   0.13216   0.13461
     Eigenvalues ---    0.13845   0.13910   0.14311   0.15405   0.15606
     Eigenvalues ---    0.15674   0.15777   0.15923   0.15950   0.15978
     Eigenvalues ---    0.15985   0.15997   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16001   0.16002   0.16006   0.16013
     Eigenvalues ---    0.16014   0.16029   0.16037   0.16059   0.16066
     Eigenvalues ---    0.16078   0.16122   0.16224   0.16638   0.16892
     Eigenvalues ---    0.17059   0.17671   0.17966   0.18145   0.18346
     Eigenvalues ---    0.18631   0.19128   0.19913   0.20352   0.21577
     Eigenvalues ---    0.21709   0.21840   0.21998   0.22000   0.22001
     Eigenvalues ---    0.22010   0.22089   0.22155   0.22337   0.22678
     Eigenvalues ---    0.22927   0.23084   0.23450   0.23488   0.23661
     Eigenvalues ---    0.23729   0.24049   0.24262   0.24442   0.24767
     Eigenvalues ---    0.24928   0.25001   0.25033   0.25047   0.25210
     Eigenvalues ---    0.25372   0.25469   0.25550   0.27000   0.29141
     Eigenvalues ---    0.29458   0.29698   0.29801   0.29987   0.30107
     Eigenvalues ---    0.30228   0.30374   0.30524   0.30735   0.30954
     Eigenvalues ---    0.31338   0.31430   0.31445   0.31498   0.31607
     Eigenvalues ---    0.31664   0.31776   0.31985   0.32047   0.32163
     Eigenvalues ---    0.32433   0.32505   0.32582   0.32644   0.32663
     Eigenvalues ---    0.32776   0.32848   0.32887   0.32948   0.33020
     Eigenvalues ---    0.33040   0.33062   0.33154   0.33232   0.33271
     Eigenvalues ---    0.33349   0.33503   0.33566   0.33590   0.33673
     Eigenvalues ---    0.33734   0.33904   0.33973   0.33994   0.34050
     Eigenvalues ---    0.34191   0.34245   0.34330   0.34371   0.34410
     Eigenvalues ---    0.34495   0.34590   0.34696   0.35085   0.35517
     Eigenvalues ---    0.36193   0.36247   0.36312   0.36374   0.36577
     Eigenvalues ---    0.36633   0.36838   0.36957   0.37288   0.38072
     Eigenvalues ---    0.38539   0.39188   0.40667   0.41017   0.41263
     Eigenvalues ---    0.42343   0.42612   0.42865   0.43305   0.43814
     Eigenvalues ---    0.44205   0.45104   0.45572   0.47223   0.47410
     Eigenvalues ---    0.47725   0.48373   0.48458   0.48603   0.48901
     Eigenvalues ---    0.49100   0.49869   0.50264   0.50937   0.51167
     Eigenvalues ---    0.51312   0.51593   0.54794   0.56336   0.57987
     Eigenvalues ---    0.59198   0.62680   0.65165   0.75870   0.78553
     Eigenvalues ---    0.83485   0.92845  38.035121000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 Eigenvalue     1 is   1.70D-05 Eigenvector:
                         D151      D149      D150      D206      D216
   1                    0.23992   0.23529   0.23284  -0.19979   0.18328
                         D218      D220      D215      D217      D219
   1                    0.18290   0.18285   0.18088   0.18050   0.18045
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    33   32   31   30   29
 RFO step:  Lambda=-9.64944178D-05.
 DIIS coeffs:      2.42395      1.79463     -5.34228      0.94180      1.18189
 Matrix for removal  3 Erem=-0.247529432321699     Crem=-0.534D+01
 En-DIIS coeffs:      2.42395      1.79463     -5.34228      0.94180      1.18189
 Point #    5 is marked for removal
 Iteration  1 RMS(Cart)=  0.24981854 RMS(Int)=  0.01042318
 Iteration  2 RMS(Cart)=  0.03266354 RMS(Int)=  0.00019791
 Iteration  3 RMS(Cart)=  0.00044270 RMS(Int)=  0.00006924
 Iteration  4 RMS(Cart)=  0.00000025 RMS(Int)=  0.00006924
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89530  -0.00004  -0.00019  -0.00008  -0.00027   2.89503
    R2        2.07200   0.00001   0.00046  -0.00008   0.00037   2.07238
    R3        2.07326   0.00003   0.00021  -0.00009   0.00011   2.07337
    R4        2.07219   0.00000  -0.00033   0.00039   0.00006   2.07226
    R5        2.89381  -0.00004   0.00029   0.00050   0.00079   2.89460
    R6        2.82814   0.00005   0.00013  -0.00041  -0.00028   2.82786
    R7        2.13124  -0.00001  -0.00042   0.00019  -0.00023   2.13101
    R8        2.07221  -0.00001  -0.00059   0.00047  -0.00012   2.07208
    R9        2.07359  -0.00002  -0.00007  -0.00007  -0.00014   2.07345
   R10        2.07242   0.00000  -0.00013   0.00017   0.00005   2.07246
   R11        2.47931   0.00004  -0.00015  -0.00084  -0.00100   2.47831
   R12        3.37027  -0.00005   0.00077   0.00057   0.00133   3.37161
   R13        2.68285  -0.00003   0.00081   0.00130   0.00211   2.68496
   R14        2.84279  -0.00022  -0.00102  -0.00062  -0.00164   2.84115
   R15        2.58011  -0.00006  -0.00084  -0.00067  -0.00151   2.57860
   R16        2.80132   0.00005   0.00200  -0.00103   0.00097   2.80229
   R17        2.11021  -0.00002   0.00003  -0.00023  -0.00020   2.11001
   R18        2.12084   0.00001  -0.00027   0.00026  -0.00001   2.12083
   R19        2.81184   0.00020   0.00112   0.00015   0.00127   2.81311
   R20        2.68163   0.00029  -0.00066  -0.00083  -0.00149   2.68014
   R21        2.08284   0.00007  -0.00008  -0.00020  -0.00028   2.08256
   R22        2.09387  -0.00005  -0.00083   0.00043  -0.00041   2.09346
   R23        2.08283  -0.00009  -0.00019   0.00035   0.00016   2.08299
   R24        2.31653  -0.00018  -0.00039   0.00059   0.00020   2.31673
   R25        2.69090   0.00032   0.00260  -0.00161   0.00099   2.69189
   R26        2.80361   0.00016  -0.00108   0.00099  -0.00009   2.80352
   R27        1.94425  -0.00007   0.00173   0.00010   0.00183   1.94609
   R28        2.91245   0.00041  -0.00138  -0.00010  -0.00148   2.91097
   R29        2.94311   0.00001  -0.00142   0.00081  -0.00061   2.94250
   R30        2.13619   0.00000   0.00099  -0.00058   0.00041   2.13660
   R31        2.31784  -0.00011   0.00151   0.00050   0.00200   2.31984
   R32        2.62128   0.00022  -0.00050  -0.00185  -0.00235   2.61893
   R33        2.81163   0.00049  -0.00015   0.00065   0.00049   2.81213
   R34        1.92521  -0.00010   0.00141   0.00025   0.00167   1.92688
   R35        2.92054   0.00023   0.00197   0.00031   0.00228   2.92282
   R36        2.91627  -0.00012  -0.00486  -0.00035  -0.00521   2.91106
   R37        2.13423  -0.00003  -0.00198  -0.00028  -0.00226   2.13197
   R38        2.84186  -0.00004  -0.00071   0.00064  -0.00007   2.84179
   R39        2.10297   0.00007   0.00025  -0.00003   0.00023   2.10319
   R40        2.09756   0.00000   0.00026   0.00028   0.00055   2.09811
   R41        2.65325   0.00000  -0.00044   0.00010  -0.00034   2.65292
   R42        2.65222   0.00004   0.00009   0.00032   0.00041   2.65264
   R43        2.64024   0.00003   0.00047   0.00027   0.00074   2.64097
   R44        2.05937  -0.00002  -0.00058  -0.00009  -0.00067   2.05870
   R45        2.64275  -0.00003  -0.00036  -0.00028  -0.00064   2.64211
   R46        2.05890   0.00001   0.00005   0.00003   0.00008   2.05898
   R47        2.64249   0.00003   0.00037   0.00020   0.00057   2.64306
   R48        2.05599   0.00000   0.00018   0.00011   0.00028   2.05628
   R49        2.64076   0.00005  -0.00013  -0.00012  -0.00024   2.64052
   R50        2.05818   0.00002   0.00031   0.00006   0.00036   2.05854
   R51        2.05524   0.00000   0.00013   0.00002   0.00016   2.05540
   R52        2.89852  -0.00039  -0.00296  -0.00199  -0.00495   2.89357
   R53        2.10302   0.00004   0.00051  -0.00102  -0.00050   2.10251
   R54        2.09012   0.00023   0.00270  -0.00071   0.00198   2.09210
   R55        2.72820   0.00001  -0.00054   0.00126   0.00072   2.72892
   R56        2.94862   0.00020   0.00408  -0.00126   0.00281   2.95143
   R57        2.10851  -0.00005   0.00065  -0.00046   0.00019   2.10869
   R58        1.88013   0.00065   0.00258  -0.00081   0.00178   1.88191
   R59        2.90708  -0.00093  -0.00243   0.00036  -0.00207   2.90501
   R60        2.81427  -0.00126   0.00412   0.00250   0.00662   2.82089
   R61        2.12801  -0.00018  -0.00321   0.00120  -0.00201   2.12600
   R62        2.84110   0.00009   0.00080  -0.00078   0.00003   2.84113
   R63        2.11515  -0.00036  -0.00118   0.00028  -0.00090   2.11425
   R64        2.09627   0.00009  -0.00094   0.00048  -0.00046   2.09581
   R65        2.65152   0.00004   0.00066  -0.00003   0.00063   2.65215
   R66        2.65196  -0.00001  -0.00041  -0.00044  -0.00085   2.65111
   R67        2.63968  -0.00003  -0.00092   0.00001  -0.00090   2.63878
   R68        2.06340   0.00017   0.00192  -0.00076   0.00116   2.06457
   R69        2.64334   0.00007   0.00067   0.00012   0.00079   2.64413
   R70        2.05744   0.00001  -0.00003   0.00005   0.00002   2.05745
   R71        2.64280  -0.00007  -0.00060  -0.00015  -0.00075   2.64204
   R72        2.05509   0.00000  -0.00006   0.00005  -0.00001   2.05509
   R73        2.64068   0.00012   0.00077   0.00025   0.00102   2.64170
   R74        2.05701  -0.00002  -0.00010  -0.00011  -0.00021   2.05679
   R75        2.05366  -0.00001  -0.00006  -0.00015  -0.00020   2.05345
   R76        2.61577  -0.00198   0.01036   0.00479   0.01515   2.63091
   R77        1.93659  -0.00045   0.00703   0.00357   0.01059   1.94718
   R78        2.29481  -0.00035  -0.00109  -0.00086  -0.00195   2.29286
   R79        2.64780   0.00007  -0.00164  -0.00158  -0.00322   2.64458
   R80        2.75420   0.00012  -0.00064   0.00037  -0.00027   2.75393
   R81        2.79392   0.00021   0.00099  -0.00113  -0.00014   2.79378
   R82        2.09930   0.00004   0.00037  -0.00003   0.00034   2.09964
   R83        2.09751   0.00003  -0.00029  -0.00075  -0.00104   2.09647
   R84        2.59060   0.00002   0.00002  -0.00035  -0.00033   2.59027
   R85        3.28705   0.00000  -0.00016   0.00125   0.00108   3.28813
   R86        2.66267   0.00000  -0.00034   0.00111   0.00076   2.66344
   R87        2.05335  -0.00005  -0.00088   0.00018  -0.00070   2.05265
   R88        2.48276   0.00008   0.00101  -0.00021   0.00080   2.48356
   R89        3.34077  -0.00015  -0.00122   0.00028  -0.00094   3.33983
   R90        2.04753   0.00004   0.00016   0.00012   0.00028   2.04781
   R91        2.89080  -0.00095  -0.00048   0.00130   0.00082   2.89162
   R92        2.89179  -0.00013   0.00005  -0.00162  -0.00157   2.89022
   R93        2.12249  -0.00012  -0.00235   0.00031  -0.00204   2.12045
   R94        2.07693  -0.00058   0.00198   0.00192   0.00390   2.08083
   R95        2.08023   0.00044  -0.00093  -0.00244  -0.00337   2.07686
   R96        2.07425  -0.00018  -0.00280  -0.00017  -0.00297   2.07128
   R97        2.07418  -0.00005  -0.00035   0.00051   0.00016   2.07435
   R98        2.08030   0.00005   0.00096  -0.00028   0.00068   2.08098
   R99        2.06912  -0.00005  -0.00057  -0.00059  -0.00116   2.06796
   R100       3.27997  -0.00009   0.00134   0.00123   0.00257   3.28254
   R101       2.04083   0.00001  -0.00015   0.00058   0.00044   2.04127
    A1        1.93493  -0.00001   0.00034   0.00033   0.00067   1.93561
    A2        1.94453   0.00002   0.00066   0.00023   0.00089   1.94542
    A3        1.96039   0.00002   0.00014  -0.00039  -0.00026   1.96013
    A4        1.87434  -0.00001  -0.00146   0.00080  -0.00065   1.87369
    A5        1.87016  -0.00002  -0.00060   0.00012  -0.00048   1.86968
    A6        1.87537  -0.00001   0.00081  -0.00108  -0.00027   1.87510
    A7        1.95142  -0.00004  -0.00081   0.00060  -0.00022   1.95120
    A8        1.92202   0.00006   0.00145  -0.00055   0.00090   1.92292
    A9        1.88975  -0.00002  -0.00107  -0.00034  -0.00141   1.88834
   A10        1.93023  -0.00002  -0.00004  -0.00021  -0.00025   1.92998
   A11        1.88900   0.00002  -0.00007   0.00026   0.00019   1.88919
   A12        1.87922   0.00000   0.00055   0.00024   0.00079   1.88001
   A13        1.96272  -0.00004  -0.00114   0.00052  -0.00062   1.96210
   A14        1.94602   0.00001   0.00059  -0.00025   0.00034   1.94636
   A15        1.93440   0.00000  -0.00025   0.00017  -0.00008   1.93432
   A16        1.87517   0.00002   0.00052  -0.00041   0.00011   1.87528
   A17        1.86790   0.00002   0.00129  -0.00087   0.00042   1.86832
   A18        1.87324   0.00000  -0.00097   0.00083  -0.00015   1.87309
   A19        2.20808   0.00000  -0.00028   0.00145   0.00117   2.20925
   A20        2.11825   0.00001   0.00011  -0.00136  -0.00124   2.11701
   A21        1.95684   0.00000   0.00015  -0.00011   0.00004   1.95688
   A22        1.96044  -0.00006  -0.00009   0.00021   0.00012   1.96056
   A23        2.03767   0.00024  -0.00061  -0.00153  -0.00214   2.03553
   A24        2.01142   0.00005   0.00021   0.00014   0.00035   2.01177
   A25        2.23403  -0.00029   0.00037   0.00142   0.00180   2.23582
   A26        1.99289  -0.00010  -0.00039   0.00009  -0.00031   1.99258
   A27        1.92024  -0.00012  -0.00086   0.00058  -0.00029   1.91996
   A28        1.91347   0.00023   0.00273  -0.00042   0.00230   1.91577
   A29        1.91361   0.00009   0.00072  -0.00199  -0.00126   1.91235
   A30        1.87765  -0.00010  -0.00381   0.00133  -0.00249   1.87516
   A31        1.83925   0.00000   0.00177   0.00047   0.00223   1.84147
   A32        1.99240   0.00029   0.00502  -0.00336   0.00166   1.99407
   A33        2.12712  -0.00021   0.00326  -0.00258   0.00069   2.12781
   A34        2.01731  -0.00007   0.00070  -0.00125  -0.00055   2.01676
   A35        1.89884   0.00001   0.00119   0.00011   0.00130   1.90013
   A36        1.92243   0.00000  -0.00146  -0.00028  -0.00174   1.92068
   A37        1.96473  -0.00002  -0.00125   0.00090  -0.00035   1.96438
   A38        1.88622  -0.00002   0.00018   0.00028   0.00046   1.88668
   A39        1.90185   0.00001  -0.00047  -0.00018  -0.00065   1.90120
   A40        1.88816   0.00002   0.00185  -0.00084   0.00101   1.88917
   A41        2.12027  -0.00003  -0.00034   0.00069   0.00035   2.12062
   A42        2.05631  -0.00019   0.00095  -0.00003   0.00091   2.05723
   A43        2.10636   0.00022  -0.00068  -0.00039  -0.00109   2.10527
   A44        2.03580   0.00012   0.00030  -0.00101  -0.00048   2.03532
   A45        2.07550  -0.00007   0.00432  -0.00101   0.00355   2.07906
   A46        1.97600  -0.00010   0.00215  -0.00106   0.00137   1.97737
   A47        1.88901  -0.00013  -0.00145   0.00226   0.00081   1.88982
   A48        1.90759  -0.00002  -0.00045   0.00240   0.00194   1.90953
   A49        1.89275   0.00004  -0.00148   0.00087  -0.00061   1.89213
   A50        1.94875   0.00054  -0.00015  -0.00471  -0.00486   1.94388
   A51        1.93169  -0.00024   0.00233  -0.00037   0.00195   1.93364
   A52        1.89321  -0.00019   0.00114  -0.00025   0.00089   1.89410
   A53        2.13139   0.00043  -0.00434  -0.00100  -0.00535   2.12605
   A54        2.03238  -0.00075   0.00128   0.00092   0.00220   2.03457
   A55        2.11873   0.00030   0.00333  -0.00039   0.00294   2.12167
   A56        2.10967   0.00107   0.00273  -0.00040   0.00238   2.11206
   A57        2.11944  -0.00052  -0.00442  -0.00063  -0.00499   2.11446
   A58        2.03401  -0.00044  -0.00013   0.00099   0.00091   2.03493
   A59        1.91005  -0.00060  -0.00560   0.00018  -0.00542   1.90462
   A60        1.93462   0.00105   0.00790  -0.00163   0.00627   1.94090
   A61        1.87668  -0.00011  -0.00420   0.00029  -0.00391   1.87277
   A62        1.95423  -0.00050  -0.00076   0.00074   0.00000   1.95423
   A63        1.88610   0.00022   0.00215   0.00056   0.00270   1.88881
   A64        1.89986  -0.00006   0.00024  -0.00011   0.00014   1.90001
   A65        1.99409   0.00008   0.00201   0.00070   0.00271   1.99680
   A66        1.89641  -0.00007  -0.00183   0.00072  -0.00111   1.89530
   A67        1.89781   0.00002   0.00074  -0.00049   0.00025   1.89806
   A68        1.91769  -0.00001  -0.00088   0.00005  -0.00082   1.91688
   A69        1.92401  -0.00003  -0.00001  -0.00021  -0.00021   1.92380
   A70        1.82607   0.00000  -0.00027  -0.00091  -0.00118   1.82489
   A71        2.09562  -0.00005  -0.00092   0.00014  -0.00078   2.09484
   A72        2.10222   0.00006   0.00061  -0.00001   0.00060   2.10283
   A73        2.08531  -0.00001   0.00030  -0.00014   0.00016   2.08547
   A74        2.09700   0.00000  -0.00020   0.00003  -0.00016   2.09683
   A75        2.09668   0.00001   0.00072   0.00032   0.00104   2.09772
   A76        2.08943  -0.00001  -0.00053  -0.00036  -0.00089   2.08854
   A77        2.09856   0.00002   0.00008   0.00002   0.00010   2.09866
   A78        2.09069  -0.00001  -0.00007  -0.00006  -0.00013   2.09057
   A79        2.09392  -0.00001  -0.00001   0.00004   0.00003   2.09395
   A80        2.08983  -0.00001  -0.00004   0.00000  -0.00004   2.08980
   A81        2.09648   0.00001   0.00050   0.00012   0.00062   2.09710
   A82        2.09686  -0.00001  -0.00046  -0.00012  -0.00058   2.09628
   A83        2.09913   0.00000   0.00002   0.00006   0.00008   2.09921
   A84        2.09277   0.00001   0.00001  -0.00007  -0.00006   2.09271
   A85        2.09128  -0.00001  -0.00003   0.00001  -0.00002   2.09126
   A86        2.09649  -0.00001  -0.00016   0.00001  -0.00015   2.09634
   A87        2.09754   0.00000   0.00005   0.00000   0.00005   2.09759
   A88        2.08915   0.00001   0.00010  -0.00001   0.00009   2.08924
   A89        1.95616   0.00103   0.00169   0.00001   0.00169   1.95785
   A90        1.92398  -0.00024   0.00169   0.00119   0.00288   1.92686
   A91        1.90771  -0.00036  -0.00336   0.00108  -0.00229   1.90542
   A92        1.89296  -0.00019   0.00205  -0.00092   0.00113   1.89409
   A93        1.93659  -0.00043  -0.00275  -0.00201  -0.00476   1.93183
   A94        1.84310   0.00014   0.00070   0.00069   0.00139   1.84449
   A95        1.84703   0.00017   0.01036   0.00439   0.01479   1.86182
   A96        1.96198  -0.00023   0.00487  -0.00038   0.00452   1.96650
   A97        1.95807   0.00002  -0.00242  -0.00057  -0.00301   1.95506
   A98        1.83726  -0.00016  -0.01396  -0.00664  -0.02062   1.81663
   A99        1.90867   0.00008   0.00138  -0.00007   0.00128   1.90994
   A100       1.94354   0.00012  -0.00048   0.00294   0.00245   1.94599
   A101       1.92243   0.00000  -0.00072  -0.00075  -0.00147   1.92097
   A102       1.93692   0.00019   0.00197   0.00028   0.00226   1.93918
   A103       1.90245   0.00039  -0.00442   0.00286  -0.00157   1.90087
   A104       1.89984  -0.00020   0.00285   0.00054   0.00338   1.90322
   A105       1.96850  -0.00064   0.00722  -0.00192   0.00532   1.97382
   A106       1.91570   0.00016  -0.00783   0.00131  -0.00651   1.90919
   A107       1.83690   0.00010   0.00001  -0.00315  -0.00314   1.83376
   A108       1.95126   0.00012   0.00018  -0.00228  -0.00210   1.94916
   A109       1.92044  -0.00017   0.00417   0.00005   0.00423   1.92468
   A110       1.91768  -0.00019  -0.00641   0.00224  -0.00416   1.91352
   A111       1.92342   0.00002   0.00143  -0.00282  -0.00140   1.92202
   A112       1.92280   0.00003  -0.00119   0.00339   0.00219   1.92499
   A113       1.82417   0.00019   0.00187  -0.00040   0.00147   1.82564
   A114       2.09238   0.00012   0.00208  -0.00202   0.00006   2.09244
   A115       2.10124  -0.00013  -0.00232   0.00160  -0.00072   2.10052
   A116       2.08956   0.00001   0.00024   0.00042   0.00066   2.09022
   A117       2.09484  -0.00002  -0.00051  -0.00009  -0.00060   2.09424
   A118       2.08889  -0.00005  -0.00108  -0.00049  -0.00157   2.08732
   A119       2.09945   0.00007   0.00159   0.00058   0.00216   2.10161
   A120       2.09818   0.00003   0.00053  -0.00019   0.00034   2.09853
   A121       2.09121  -0.00002  -0.00060   0.00032  -0.00028   2.09094
   A122       2.09379  -0.00001   0.00007  -0.00013  -0.00007   2.09372
   A123       2.09116  -0.00001  -0.00005   0.00008   0.00004   2.09120
   A124       2.09599   0.00001   0.00021  -0.00030  -0.00008   2.09590
   A125       2.09604   0.00000  -0.00017   0.00021   0.00005   2.09609
   A126       2.09872   0.00000  -0.00028   0.00014  -0.00015   2.09857
   A127       2.09283   0.00001   0.00006   0.00013   0.00019   2.09302
   A128       2.09163  -0.00001   0.00023  -0.00027  -0.00004   2.09159
   A129       2.09390  -0.00001   0.00008  -0.00037  -0.00029   2.09361
   A130       2.09785   0.00006   0.00052   0.00043   0.00095   2.09880
   A131       2.09144  -0.00005  -0.00059  -0.00006  -0.00066   2.09078
   A132       2.15312  -0.00053  -0.01973  -0.00684  -0.02732   2.12581
   A133       2.01142   0.00017  -0.02621  -0.00620  -0.03317   1.97824
   A134       2.06633   0.00027  -0.01978  -0.00622  -0.02691   2.03942
   A135       2.27657  -0.00032  -0.00171  -0.00047  -0.00194   2.27463
   A136       1.87222  -0.00003   0.00236   0.00001   0.00260   1.87482
   A137       2.13240   0.00035  -0.00250  -0.00037  -0.00263   2.12977
   A138       2.02621  -0.00030   0.00085   0.00085   0.00171   2.02792
   A139       1.89694   0.00025   0.00130  -0.00174  -0.00045   1.89649
   A140       1.77035  -0.00010   0.00029  -0.00072  -0.00043   1.76992
   A141       1.90837  -0.00010   0.00134  -0.00117   0.00018   1.90855
   A142       1.96323   0.00001   0.00189   0.00121   0.00310   1.96633
   A143       1.98666   0.00001  -0.00058   0.00062   0.00004   1.98670
   A144       1.92513  -0.00008  -0.00400   0.00148  -0.00252   1.92261
   A145       2.24896   0.00000   0.00351   0.00169   0.00521   2.25417
   A146       2.12385   0.00003  -0.00387  -0.00185  -0.00571   2.11814
   A147       1.91018  -0.00003   0.00034   0.00001   0.00035   1.91053
   A148       2.01373   0.00000  -0.00020  -0.00042  -0.00063   2.01311
   A149       2.21021   0.00002   0.00078   0.00158   0.00237   2.21258
   A150       2.05924  -0.00002  -0.00058  -0.00117  -0.00174   2.05750
   A151       1.95385  -0.00002  -0.00035   0.00059   0.00024   1.95409
   A152       1.96999   0.00001   0.00040  -0.00035   0.00005   1.97004
   A153       2.18966  -0.00001  -0.00010   0.00083   0.00073   2.19039
   A154       2.12353   0.00000  -0.00029  -0.00050  -0.00079   2.12274
   A155       1.57694   0.00004  -0.00012   0.00008  -0.00004   1.57690
   A156       1.96856   0.00021  -0.00578   0.00166  -0.00413   1.96443
   A157       1.91758  -0.00010   0.00869  -0.00343   0.00527   1.92285
   A158       1.85295   0.00007  -0.00408   0.00020  -0.00387   1.84908
   A159       1.94062  -0.00002  -0.00151   0.00070  -0.00080   1.93982
   A160       1.88821  -0.00026   0.00342   0.00183   0.00525   1.89345
   A161       1.89215   0.00010  -0.00084  -0.00098  -0.00181   1.89033
   A162       1.95634  -0.00016   0.00234   0.00279   0.00514   1.96148
   A163       1.96270   0.00036   0.00398   0.00162   0.00561   1.96831
   A164       1.94537  -0.00029  -0.00360   0.00111  -0.00245   1.94292
   A165       1.85935  -0.00006  -0.00019  -0.00541  -0.00563   1.85372
   A166       1.85362   0.00014   0.01073   0.00184   0.01261   1.86624
   A167       1.88030   0.00002  -0.01354  -0.00236  -0.01586   1.86444
   A168       1.93354  -0.00004  -0.00315  -0.00046  -0.00361   1.92993
   A169       1.96523   0.00011   0.00093  -0.00049   0.00045   1.96568
   A170       1.95690   0.00000   0.00351  -0.00047   0.00305   1.95995
   A171       1.85290   0.00002  -0.00038   0.00008  -0.00031   1.85259
   A172       1.86314   0.00004  -0.00248   0.00066  -0.00182   1.86132
   A173       1.88623  -0.00013   0.00121   0.00079   0.00201   1.88824
   A174       1.91574  -0.00001   0.00008  -0.00033  -0.00026   1.91548
   A175       2.24433  -0.00013   0.00229   0.00179   0.00408   2.24841
   A176       2.12310   0.00014  -0.00235  -0.00145  -0.00380   2.11929
   A177       1.58034   0.00002  -0.00035   0.00010  -0.00025   1.58008
    D1        1.07234   0.00000   0.00073   0.01327   0.01400   1.08635
    D2       -3.05755  -0.00001   0.00115   0.01302   0.01417  -3.04338
    D3       -1.00711   0.00002   0.00199   0.01281   0.01480  -0.99231
    D4       -3.12443  -0.00001  -0.00045   0.01466   0.01421  -3.11022
    D5       -0.97115  -0.00002  -0.00003   0.01441   0.01438  -0.95677
    D6        1.07929   0.00001   0.00082   0.01419   0.01501   1.09431
    D7       -1.01935   0.00002   0.00116   0.01315   0.01432  -1.00503
    D8        1.13394   0.00001   0.00158   0.01290   0.01449   1.14843
    D9       -3.09881   0.00003   0.00243   0.01269   0.01512  -3.08369
   D10        1.00082   0.00001  -0.00739   0.01040   0.00301   1.00383
   D11        3.10835   0.00001  -0.00709   0.01005   0.00296   3.11131
   D12       -1.08920   0.00002  -0.00809   0.01104   0.00295  -1.08625
   D13       -1.14782  -0.00003  -0.00865   0.01084   0.00219  -1.14563
   D14        0.95970  -0.00003  -0.00835   0.01049   0.00215   0.96185
   D15        3.04534  -0.00002  -0.00935   0.01148   0.00213   3.04748
   D16        3.08072  -0.00003  -0.00924   0.01051   0.00127   3.08198
   D17       -1.09494  -0.00003  -0.00894   0.01016   0.00122  -1.09372
   D18        0.99070  -0.00002  -0.00995   0.01115   0.00121   0.99191
   D19        1.97783   0.00007   0.02056  -0.00139   0.01917   1.99701
   D20       -1.15728   0.00001   0.02184   0.00183   0.02367  -1.13360
   D21       -2.13975   0.00005   0.02051  -0.00116   0.01935  -2.12040
   D22        1.00832  -0.00001   0.02179   0.00206   0.02385   1.03217
   D23       -0.07912   0.00006   0.02072  -0.00082   0.01991  -0.05921
   D24        3.06895   0.00000   0.02200   0.00240   0.02440   3.09336
   D25       -3.13553  -0.00001   0.00009   0.00138   0.00148  -3.13405
   D26        0.00009   0.00004  -0.00109  -0.00159  -0.00268  -0.00259
   D27        3.13533  -0.00002   0.00051  -0.00068  -0.00017   3.13516
   D28       -0.00064  -0.00007   0.00162   0.00211   0.00373   0.00309
   D29        3.13130   0.00000  -0.00250   0.00280   0.00027   3.13157
   D30        0.00073   0.00001  -0.00024   0.00003  -0.00021   0.00052
   D31        2.14167   0.00001  -0.00429   0.01353   0.00925   2.15092
   D32       -1.98137  -0.00003  -0.00429   0.01142   0.00714  -1.97423
   D33        0.03362   0.00004  -0.00109   0.01207   0.01099   0.04460
   D34       -1.01258   0.00000  -0.00691   0.01670   0.00979  -1.00279
   D35        1.14757  -0.00004  -0.00690   0.01459   0.00767   1.15525
   D36       -3.12063   0.00003  -0.00371   0.01524   0.01152  -3.10910
   D37       -0.00119  -0.00006   0.00146   0.00157   0.00302   0.00183
   D38       -3.13648   0.00000  -0.00347  -0.00060  -0.00409  -3.14058
   D39       -3.13029  -0.00006   0.00405  -0.00155   0.00250  -3.12779
   D40        0.01760   0.00001  -0.00087  -0.00371  -0.00461   0.01299
   D41       -1.24993  -0.00009   0.00506   0.00599   0.01105  -1.23887
   D42        1.31117  -0.00008   0.02148  -0.00732   0.01416   1.32534
   D43        2.86954   0.00007   0.00592   0.00672   0.01264   2.88218
   D44       -0.85254   0.00008   0.02233  -0.00659   0.01575  -0.83680
   D45        0.87792   0.00007   0.00552   0.00647   0.01198   0.88990
   D46       -2.84417   0.00008   0.02193  -0.00684   0.01509  -2.82908
   D47       -1.18828  -0.00002   0.03555  -0.00358   0.03196  -1.15632
   D48        3.03038   0.00000   0.03547  -0.00381   0.03165   3.06203
   D49        0.92153  -0.00001   0.03497  -0.00315   0.03181   0.95334
   D50        2.49590   0.00003   0.01942   0.00926   0.02869   2.52459
   D51        0.43138   0.00005   0.01934   0.00903   0.02837   0.45975
   D52       -1.67747   0.00004   0.01884   0.00969   0.02854  -1.64893
   D53       -2.86991  -0.00025  -0.02717   0.01140  -0.01577  -2.88568
   D54        0.29506  -0.00012  -0.02484  -0.00175  -0.02660   0.26846
   D55       -0.31645  -0.00013  -0.00921  -0.00274  -0.01194  -0.32839
   D56        2.84853   0.00000  -0.00688  -0.01589  -0.02277   2.82576
   D57        2.79355  -0.00007   0.01091  -0.00330   0.00754   2.80109
   D58        0.32647   0.00004  -0.00146   0.00173   0.00033   0.32680
   D59       -0.32486   0.00006   0.01320  -0.01635  -0.00321  -0.32807
   D60       -2.79194   0.00017   0.00083  -0.01132  -0.01042  -2.80236
   D61       -1.78158   0.00034  -0.03433   0.00307  -0.03126  -1.81284
   D62        2.37576  -0.00023  -0.03298   0.00598  -0.02699   2.34876
   D63        0.31488  -0.00001  -0.03324   0.00443  -0.02880   0.28608
   D64        0.72297   0.00024  -0.02191  -0.00165  -0.02358   0.69940
   D65       -1.40287  -0.00032  -0.02055   0.00125  -0.01931  -1.42218
   D66        2.81944  -0.00011  -0.02082  -0.00030  -0.02112   2.79832
   D67       -0.58991  -0.00008  -0.00051  -0.00650  -0.00702  -0.59692
   D68        2.51242  -0.00052   0.00755  -0.02004  -0.01249   2.49993
   D69        1.51043   0.00014  -0.00213  -0.00495  -0.00708   1.50336
   D70       -1.67043  -0.00030   0.00592  -0.01848  -0.01255  -1.68298
   D71       -2.66183   0.00010   0.00081  -0.00872  -0.00791  -2.66973
   D72        0.44050  -0.00035   0.00887  -0.02225  -0.01338   0.42712
   D73        1.17316  -0.00016  -0.07275  -0.01321  -0.08596   1.08720
   D74       -2.93429  -0.00011  -0.07232  -0.01370  -0.08602  -3.02031
   D75       -0.89177  -0.00001  -0.07112  -0.01649  -0.08763  -0.97939
   D76       -0.91626  -0.00032  -0.07055  -0.01464  -0.08518  -1.00143
   D77        1.25947  -0.00028  -0.07012  -0.01512  -0.08523   1.17424
   D78       -2.98119  -0.00017  -0.06892  -0.01791  -0.08684  -3.06803
   D79       -3.04944  -0.00024  -0.07414  -0.01096  -0.08509  -3.13453
   D80       -0.87371  -0.00019  -0.07370  -0.01144  -0.08515  -0.95886
   D81        1.16881  -0.00009  -0.07251  -0.01424  -0.08675   1.08206
   D82        3.11453   0.00078   0.00827   0.00656   0.01483   3.12936
   D83        0.19420   0.00023   0.01701   0.00669   0.02371   0.21791
   D84       -0.06602   0.00034   0.01606  -0.00689   0.00917  -0.05685
   D85       -2.98635  -0.00020   0.02480  -0.00675   0.01805  -2.96830
   D86        2.47813  -0.00030   0.04687   0.02088   0.06777   2.54590
   D87       -1.64123  -0.00065   0.04741   0.02083   0.06825  -1.57298
   D88        0.43350  -0.00019   0.04968   0.01995   0.06961   0.50311
   D89       -0.87434   0.00019   0.03798   0.02056   0.05854  -0.81579
   D90        1.28949  -0.00015   0.03852   0.02052   0.05903   1.34852
   D91       -2.91897   0.00031   0.04078   0.01963   0.06039  -2.85858
   D92        1.07901   0.00028   0.00680  -0.00060   0.00621   1.08522
   D93       -1.06899   0.00029   0.00791  -0.00169   0.00622  -1.06276
   D94       -3.04688   0.00032   0.00879  -0.00075   0.00805  -3.03883
   D95       -1.07327  -0.00028   0.00122   0.00085   0.00206  -1.07120
   D96        3.06192  -0.00028   0.00232  -0.00025   0.00208   3.06400
   D97        1.08403  -0.00025   0.00321   0.00070   0.00390   1.08793
   D98        3.11770  -0.00005  -0.00004   0.00016   0.00012   3.11781
   D99        0.96970  -0.00004   0.00107  -0.00093   0.00013   0.96983
   D100      -1.00820  -0.00001   0.00195   0.00001   0.00196  -1.00624
   D101       1.17185   0.00055   0.03447   0.01109   0.04556   1.21741
   D102      -0.93843   0.00027   0.02955   0.01143   0.04098  -0.89746
   D103      -2.95688   0.00045   0.02969   0.00930   0.03899  -2.91789
   D104      -2.97298   0.00018   0.03240   0.01068   0.04309  -2.92989
   D105       1.19992  -0.00011   0.02749   0.01101   0.03850   1.23842
   D106      -0.81853   0.00007   0.02763   0.00889   0.03652  -0.78200
   D107      -0.88883   0.00010   0.03478   0.01177   0.04655  -0.84228
   D108      -2.99911  -0.00018   0.02987   0.01210   0.04196  -2.95715
   D109       1.26562   0.00000   0.03001   0.00998   0.03998   1.30561
   D110      -1.60079   0.00000  -0.01492  -0.00550  -0.02042  -1.62121
   D111       1.54918   0.00000  -0.01398  -0.00472  -0.01870   1.53048
   D112       0.53563  -0.00004  -0.01654  -0.00402  -0.02056   0.51507
   D113      -2.59758  -0.00004  -0.01560  -0.00324  -0.01884  -2.61642
   D114       2.53927  -0.00007  -0.01737  -0.00521  -0.02257   2.51670
   D115      -0.59394  -0.00006  -0.01643  -0.00443  -0.02085  -0.61479
   D116       3.14039   0.00000   0.00099   0.00023   0.00122  -3.14157
   D117      -0.01476   0.00000   0.00058  -0.00032   0.00026  -0.01450
   D118      -0.00950   0.00000   0.00006  -0.00054  -0.00048  -0.00998
   D119       3.11853   0.00000  -0.00035  -0.00109  -0.00144   3.11709
   D120      -3.14058   0.00000  -0.00086  -0.00029  -0.00115   3.14145
   D121       0.00610   0.00001   0.00030  -0.00054  -0.00025   0.00586
   D122       0.00934   0.00001   0.00008   0.00049   0.00057   0.00991
   D123      -3.12716   0.00002   0.00124   0.00023   0.00147  -3.12569
   D124       0.00248   0.00000  -0.00003   0.00017   0.00014   0.00262
   D125       3.14024   0.00000   0.00016  -0.00014   0.00002   3.14026
   D126      -3.12561   0.00000   0.00037   0.00072   0.00108  -3.12452
   D127       0.01215   0.00000   0.00056   0.00041   0.00096   0.01312
   D128       0.00475   0.00000  -0.00014   0.00026   0.00011   0.00486
   D129      -3.14143   0.00000  -0.00002  -0.00023  -0.00025   3.14151
   D130      -3.13301   0.00000  -0.00033   0.00057   0.00024  -3.13277
   D131       0.00400   0.00000  -0.00021   0.00008  -0.00013   0.00388
   D132      -0.00491   0.00000   0.00028  -0.00031  -0.00003  -0.00493
   D133       3.13463   0.00000   0.00017  -0.00043  -0.00026   3.13437
   D134       3.14127   0.00000   0.00016   0.00017   0.00033  -3.14158
   D135      -0.00238   0.00000   0.00005   0.00005   0.00010  -0.00228
   D136      -0.00217   0.00000  -0.00025  -0.00007  -0.00031  -0.00248
   D137       3.13436  -0.00001  -0.00140   0.00019  -0.00122   3.13314
   D138       3.14148   0.00000  -0.00014   0.00006  -0.00008   3.14140
   D139      -0.00518  -0.00001  -0.00129   0.00031  -0.00098  -0.00616
   D140      -1.69319  -0.00027   0.02055  -0.01691   0.00366  -1.68953
   D141       2.59348  -0.00007   0.02876  -0.01137   0.01738   2.61085
   D142       0.38708  -0.00006   0.02742  -0.01457   0.01285   0.39993
   D143       0.43492  -0.00004   0.02518  -0.01604   0.00916   0.44409
   D144      -1.56159   0.00017   0.03339  -0.01049   0.02288  -1.53872
   D145       2.51520   0.00017   0.03205  -0.01369   0.01835   2.53355
   D146       2.45186  -0.00022   0.02570  -0.01686   0.00886   2.46072
   D147       0.45534  -0.00002   0.03390  -0.01131   0.02257   0.47792
   D148      -1.75105  -0.00001   0.03257  -0.01451   0.01805  -1.73300
   D149       2.23199  -0.00018  -0.14482  -0.07790  -0.22267   2.00932
   D150      -1.97039  -0.00044  -0.14112  -0.07944  -0.22058  -2.19097
   D151       0.11940  -0.00035  -0.14872  -0.07973  -0.22847  -0.10907
   D152      -1.22882  -0.00017   0.01179   0.01034   0.02211  -1.20671
   D153       2.87618   0.00024   0.00435   0.01056   0.01489   2.89107
   D154       0.88130   0.00002   0.00517   0.01249   0.01765   0.89894
   D155       3.05191  -0.00016   0.00517   0.00917   0.01436   3.06627
   D156       0.87371   0.00024  -0.00228   0.00939   0.00714   0.88086
   D157      -1.12116   0.00003  -0.00145   0.01132   0.00990  -1.11127
   D158       0.98538  -0.00022   0.01204   0.01165   0.02367   1.00905
   D159      -1.19281   0.00018   0.00459   0.01187   0.01645  -1.17635
   D160       3.09550  -0.00003   0.00541   0.01380   0.01920   3.11470
   D161       2.94150  -0.00005  -0.01408  -0.00379  -0.01789   2.92361
   D162      -1.19838  -0.00006  -0.00916  -0.00894  -0.01812  -1.21650
   D163       0.80094  -0.00004  -0.00817  -0.00813  -0.01632   0.78462
   D164      -1.20129   0.00013  -0.01314  -0.00124  -0.01437  -1.21565
   D165       0.94202   0.00013  -0.00822  -0.00639  -0.01460   0.92742
   D166       2.94134   0.00015  -0.00723  -0.00558  -0.01280   2.92854
   D167       0.84076  -0.00003  -0.01378  -0.00550  -0.01928   0.82149
   D168       2.98407  -0.00004  -0.00886  -0.01065  -0.01951   2.96456
   D169      -1.29979  -0.00001  -0.00787  -0.00984  -0.01771  -1.31751
   D170       1.38896   0.00015  -0.03005  -0.01202  -0.04193   1.34702
   D171      -1.40438   0.00034   0.12049   0.05107   0.17138  -1.23300
   D172      -0.77062   0.00006  -0.03440  -0.01316  -0.04740  -0.81802
   D173       2.71923   0.00025   0.11614   0.04993   0.16592   2.88515
   D174      -2.85880   0.00015  -0.02889  -0.01168  -0.04040  -2.89919
   D175       0.63105   0.00035   0.12165   0.05141   0.17292   0.80397
   D176       1.75538  -0.00002  -0.03334  -0.02431  -0.05765   1.69773
   D177      -1.38903  -0.00003  -0.03574  -0.02172  -0.05746  -1.44649
   D178      -0.38623   0.00009  -0.03985  -0.02078  -0.06062  -0.44685
   D179       2.75254   0.00008  -0.04225  -0.01819  -0.06043   2.69211
   D180      -2.39016  -0.00017  -0.04223  -0.02062  -0.06286  -2.45303
   D181       0.74861  -0.00018  -0.04464  -0.01803  -0.06267   0.68594
   D182       3.13628   0.00000   0.00119   0.00139   0.00259   3.13887
   D183      -0.00937  -0.00002   0.00138   0.00077   0.00214  -0.00723
   D184      -0.00250   0.00001   0.00358  -0.00119   0.00240  -0.00011
   D185       3.13502  -0.00001   0.00377  -0.00181   0.00196   3.13698
   D186      -3.13695   0.00001  -0.00013  -0.00126  -0.00140  -3.13835
   D187       0.00301   0.00001   0.00091  -0.00117  -0.00026   0.00276
   D188       0.00182   0.00000  -0.00253   0.00132  -0.00121   0.00062
   D189      -3.14140   0.00001  -0.00148   0.00141  -0.00007  -3.14147
   D190       0.00130  -0.00001  -0.00243   0.00039  -0.00204  -0.00074
   D191      -3.14060  -0.00001  -0.00276  -0.00002  -0.00278   3.13981
   D192      -3.13620   0.00001  -0.00261   0.00102  -0.00159  -3.13779
   D193       0.00509   0.00001  -0.00293   0.00061  -0.00232   0.00276
   D194       0.00059   0.00000   0.00021   0.00027   0.00048   0.00108
   D195      -3.14079  -0.00001  -0.00054   0.00006  -0.00049  -3.14127
   D196      -3.14069   0.00001   0.00053   0.00068   0.00122  -3.13948
   D197       0.00111   0.00000  -0.00022   0.00047   0.00025   0.00136
   D198      -0.00128   0.00000   0.00085  -0.00014   0.00072  -0.00056
   D199       3.14085   0.00000   0.00055  -0.00038   0.00018   3.14103
   D200       3.14010   0.00001   0.00160   0.00008   0.00169  -3.14140
   D201      -0.00095   0.00001   0.00131  -0.00016   0.00115   0.00019
   D202       0.00007   0.00000   0.00031  -0.00066  -0.00035  -0.00028
   D203      -3.13991  -0.00001  -0.00073  -0.00076  -0.00148  -3.14139
   D204       3.14112   0.00000   0.00061  -0.00042   0.00019   3.14131
   D205       0.00115  -0.00001  -0.00043  -0.00051  -0.00094   0.00020
   D206       0.28356   0.00017   0.12772   0.06576   0.19351   0.47708
   D207      -2.92629   0.00013   0.11413   0.05153   0.16567  -2.76062
   D208       3.06666  -0.00006  -0.02877   0.00082  -0.02796   3.03869
   D209      -0.14319  -0.00009  -0.04236  -0.01342  -0.05581  -0.19900
   D210       3.04204   0.00038   0.03701   0.01881   0.05582   3.09786
   D211      -0.16092   0.00032   0.02480   0.00600   0.03080  -0.13012
   D212      -1.56596   0.00000   0.01512   0.00942   0.02454  -1.54142
   D213       2.64543  -0.00006   0.01229   0.00913   0.02142   2.66686
   D214       0.61218   0.00012   0.01614   0.00828   0.02442   0.63659
   D215      -0.92893  -0.00005  -0.10955  -0.04634  -0.15589  -1.08483
   D216       2.18948  -0.00004  -0.10754  -0.05610  -0.16364   2.02584
   D217       1.01707  -0.00002  -0.10746  -0.04758  -0.15503   0.86204
   D218      -2.14770  -0.00001  -0.10544  -0.05734  -0.16278  -2.31049
   D219      -3.06019  -0.00011  -0.11184  -0.04398  -0.15582   3.06718
   D220       0.05822  -0.00011  -0.10983  -0.05374  -0.16357  -0.10534
   D221       3.12495   0.00007   0.00037  -0.00413  -0.00378   3.12117
   D222      -0.01348   0.00001  -0.00359  -0.00387  -0.00749  -0.02097
   D223       0.00427   0.00006  -0.00140   0.00471   0.00332   0.00759
   D224      -3.13416   0.00000  -0.00536   0.00496  -0.00039  -3.13455
   D225      -3.13092  -0.00009   0.00152   0.00203   0.00352  -3.12741
   D226      -0.00847  -0.00008   0.00323  -0.00601  -0.00278  -0.01125
   D227       0.00444   0.00001  -0.00213   0.00006  -0.00207   0.00237
   D228      -3.14002   0.00006   0.00148  -0.00016   0.00130  -3.13873
   D229      -0.01102  -0.00008   0.00463  -0.00484  -0.00021  -0.01123
   D230       3.13203   0.00003   0.00020   0.00277   0.00297   3.13500
   D231       0.01151   0.00010  -0.00464   0.00639   0.00175   0.01326
   D232      -3.13148  -0.00001  -0.00040  -0.00089  -0.00129  -3.13277
   D233      -0.94943  -0.00016  -0.08700  -0.01858  -0.10559  -1.05502
   D234       1.14501  -0.00011  -0.08278  -0.02245  -0.10521   1.03980
   D235      -3.02451  -0.00004  -0.09994  -0.02356  -0.12349   3.13519
   D236      -3.11252  -0.00017  -0.09298  -0.01584  -0.10883   3.06183
   D237      -1.01808  -0.00011  -0.08876  -0.01971  -0.10845  -1.12653
   D238       1.09560  -0.00004  -0.10592  -0.02081  -0.12674   0.96886
   D239       1.09475  -0.00012  -0.09320  -0.01620  -0.10942   0.98533
   D240      -3.09399  -0.00006  -0.08898  -0.02007  -0.10904   3.08015
   D241      -0.98032   0.00001  -0.10615  -0.02117  -0.12732  -1.10765
   D242       3.07287  -0.00010  -0.06002  -0.01574  -0.07576   2.99711
   D243      -1.13830  -0.00003  -0.06203  -0.01628  -0.07831  -1.21661
   D244       0.99338  -0.00012  -0.05707  -0.01595  -0.07303   0.92035
   D245      -1.01854   0.00008  -0.06218  -0.01562  -0.07780  -1.09634
   D246       1.05347   0.00015  -0.06419  -0.01616  -0.08034   0.97313
   D247      -3.09803   0.00006  -0.05924  -0.01583  -0.07506   3.11009
   D248       1.05501  -0.00018  -0.05941  -0.01357  -0.07298   0.98203
   D249       3.12703  -0.00012  -0.06142  -0.01411  -0.07552   3.05150
   D250      -1.02448  -0.00021  -0.05646  -0.01378  -0.07025  -1.09472
   D251       0.00101   0.00007  -0.00168  -0.00200  -0.00367  -0.00267
   D252       3.13682   0.00001   0.00291   0.00000   0.00285   3.13967
         Item               Value     Threshold  Converged?
 Maximum Force            0.001980     0.000450     NO 
 RMS     Force            0.000217     0.000300     YES
 Maximum Displacement     2.482645     0.001800     NO 
 RMS     Displacement     0.272695     0.001200     NO 
 Predicted change in Energy=-4.649579D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -8.847770   -2.728930    0.173399
      2          6           0       -8.863949   -1.304240   -0.389598
      3          6           0       -9.921599   -0.433779    0.295937
      4          6           0       -7.508383   -0.683388   -0.261858
      5          7           0       -6.713343   -0.333301   -1.244349
      6          6           0       -5.490691    0.220441   -0.778289
      7          6           0       -4.499587    0.643467   -1.826710
      8          7           0       -4.091479    2.066314   -1.737395
      9          6           0       -5.153019    3.032772   -2.131254
     10          6           0       -3.182278    2.524992   -0.750252
     11          8           0       -3.049583    3.719224   -0.506987
     12          7           0       -2.409157    1.552290   -0.053622
     13          6           0       -1.183232    2.039460    0.625142
     14          6           0        0.034972    1.625187   -0.221760
     15          8           0        0.056787    0.572141   -0.852345
     16          7           0        1.085065    2.527701   -0.280361
     17          6           0        2.316795    2.221443   -1.057230
     18          6           0        2.870231    3.530827   -1.666716
     19          6           0        3.282462    4.562430   -0.653150
     20          6           0        2.370491    5.547690   -0.242783
     21          6           0        2.751067    6.507561    0.698988
     22          6           0        4.042095    6.494599    1.235534
     23          6           0        4.955552    5.519593    0.821806
     24          6           0        4.580738    4.557273   -0.119421
     25          6           0        3.363472    1.505353   -0.182747
     26          6           0        2.936874    0.079880    0.178707
     27          8           0        2.339137    0.146582    1.491579
     28          6           0        4.152100   -0.883773    0.362857
     29          6           0        4.850895   -1.156181   -0.979031
     30          6           0        6.182877   -1.826123   -0.785641
     31          6           0        6.288741   -3.220272   -0.907441
     32          6           0        7.525418   -3.844409   -0.731478
     33          6           0        8.662223   -3.084613   -0.434512
     34          6           0        8.557754   -1.695755   -0.312565
     35          6           0        7.322635   -1.064649   -0.486882
     36          7           0        3.684431   -2.127798    1.042551
     37          6           0        2.987652   -3.120036    0.358271
     38          8           0        3.009487   -3.427849   -0.815159
     39          8           0        2.276833   -3.863250    1.307392
     40          6           0        1.428449   -4.927715    0.786884
     41          6           0        0.095676   -4.364580    0.483125
     42          6           0       -0.814493   -3.789058    1.331190
     43          7           0       -1.996248   -3.322300    0.721200
     44          6           0       -1.998071   -3.537203   -0.575354
     45         16           0       -0.520042   -4.322020   -1.143743
     46          6           0       -1.110253    1.434817    2.058199
     47          6           0       -1.011016   -0.092097    2.046599
     48          6           0        0.051116    2.057246    2.834720
     49          6           0       -5.361776    0.288279    0.578447
     50         16           0       -6.787874   -0.351475    1.336263
     51          1           0       -9.806723   -3.230576   -0.003830
     52          1           0       -8.067333   -3.338467   -0.299024
     53          1           0       -8.668981   -2.747001    1.255166
     54          1           0       -9.112588   -1.362500   -1.487983
     55          1           0       -9.778906   -0.379642    1.381764
     56          1           0       -9.908582    0.593555   -0.089179
     57          1           0      -10.927841   -0.834389    0.123483
     58          1           0       -3.594411   -0.008751   -1.781970
     59          1           0       -4.935538    0.482095   -2.848204
     60          1           0       -5.362147    2.913783   -3.206708
     61          1           0       -4.803996    4.070335   -1.961262
     62          1           0       -6.088401    2.886535   -1.566736
     63          1           0       -2.303555    0.611680   -0.459383
     64          1           0       -1.246930    3.164885    0.712933
     65          1           0        1.132152    3.324074    0.354685
     66          1           0        2.018499    1.537096   -1.903104
     67          1           0        2.101081    3.957721   -2.348519
     68          1           0        3.724654    3.282214   -2.330685
     69          1           0        1.367299    5.576244   -0.666599
     70          1           0        2.038952    7.270337    1.012384
     71          1           0        4.336887    7.242707    1.968656
     72          1           0        5.964244    5.511065    1.233041
     73          1           0        5.300990    3.808139   -0.440447
     74          1           0        3.535425    2.072362    0.758961
     75          1           0        4.336437    1.500327   -0.710924
     76          1           0        2.195117   -0.331358   -0.546447
     77          1           0        1.373557   -0.091579    1.439843
     78          1           0        4.885132   -0.417779    1.077845
     79          1           0        4.197056   -1.782137   -1.636612
     80          1           0        4.976118   -0.204195   -1.534048
     81          1           0        5.398583   -3.811064   -1.135886
     82          1           0        7.603700   -4.926311   -0.825028
     83          1           0        9.624194   -3.573194   -0.298256
     84          1           0        9.440842   -1.103128   -0.081089
     85          1           0        7.249772    0.015265   -0.390640
     86          1           0        3.437342   -1.983987    2.032500
     87          1           0        1.409645   -5.633235    1.645020
     88          1           0        1.924909   -5.400067   -0.085574
     89          1           0       -0.712862   -3.662276    2.405185
     90          1           0       -2.798508   -3.272101   -1.256035
     91          1           0       -2.068603    1.725248    2.564468
     92          1           0       -1.879370   -0.565078    1.562110
     93          1           0       -0.123932   -0.456736    1.509961
     94          1           0       -0.954328   -0.495522    3.064151
     95          1           0        0.021049    1.747930    3.887507
     96          1           0        1.034192    1.742573    2.451056
     97          1           0        0.016051    3.150981    2.828225
     98          1           0       -4.534891    0.665655    1.162112
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0676891      0.0301901      0.0225464
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3582.5218652850 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.248323116677     A.U. after   21 cycles
             Convg  =    0.7352D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000226773    0.000010785    0.000108266
      2        6           0.000250502    0.000109475   -0.000020502
      3        6          -0.000102143    0.000088266   -0.000081063
      4        6          -0.000239814   -0.000066067    0.000748134
      5        7          -0.000251986   -0.000490164   -0.000403169
      6        6           0.000468118    0.000821998   -0.000196312
      7        6          -0.000164102   -0.000346692   -0.000339845
      8        7           0.000207356    0.000531095   -0.000690103
      9        6          -0.000130027   -0.000071264    0.000240952
     10        6           0.000736922   -0.000640696    0.001540711
     11        8          -0.000565380    0.000211243   -0.000501843
     12        7          -0.000157719   -0.000157845   -0.000904935
     13        6           0.000268634    0.000079849    0.000223716
     14        6           0.000755862    0.001651718   -0.000806322
     15        8          -0.000573646   -0.000538192   -0.000153719
     16        7           0.000238750   -0.001059719    0.001069225
     17        6           0.000273595   -0.000643508   -0.001272421
     18        6          -0.000019611    0.000424433   -0.000066273
     19        6          -0.000160390    0.000113968    0.000100665
     20        6          -0.000010250   -0.000244824    0.000041411
     21        6           0.000035739    0.000143230   -0.000016481
     22        6          -0.000157796   -0.000025374    0.000041826
     23        6           0.000041378   -0.000049846    0.000002250
     24        6           0.000100134    0.000055491    0.000008819
     25        6          -0.000250105   -0.000516266   -0.000370796
     26        6          -0.001203938    0.000122802    0.000787769
     27        8           0.000437884    0.000997632    0.001453103
     28        6           0.000963853    0.001192887    0.000418343
     29        6           0.000762522    0.000977940    0.000266768
     30        6          -0.000199165    0.000218077    0.000135784
     31        6          -0.000083943   -0.000152972   -0.000165322
     32        6          -0.000089784    0.000043866    0.000051560
     33        6           0.000007651    0.000003580    0.000036882
     34        6           0.000027021   -0.000006257   -0.000025775
     35        6          -0.000099837   -0.000107090   -0.000000750
     36        7          -0.001003516    0.000894283   -0.000904218
     37        6          -0.000063969   -0.002137545    0.000434757
     38        8          -0.000073027    0.000144271   -0.000730293
     39        8           0.000067439   -0.000857886   -0.000292888
     40        6           0.000266650    0.000119771    0.000575555
     41        6          -0.000382844    0.000529966   -0.000312171
     42        6           0.000262945    0.000332017   -0.000051197
     43        7           0.000135832   -0.000523904    0.000014324
     44        6          -0.000596545    0.000159791   -0.000113781
     45       16           0.000496582   -0.000263466    0.000032111
     46        6           0.000074410    0.001534269    0.000061509
     47        6           0.000293116   -0.000519223    0.000699109
     48        6          -0.000363744   -0.000052851    0.000419071
     49        6           0.000251284   -0.000232936    0.001017050
     50       16           0.000042331   -0.000030052   -0.000689161
     51        1          -0.000038937   -0.000114290   -0.000065974
     52        1          -0.000086018   -0.000031364    0.000004773
     53        1          -0.000078263    0.000019594    0.000028877
     54        1           0.000013651   -0.000038411   -0.000064474
     55        1          -0.000030266    0.000008609    0.000019827
     56        1          -0.000086199   -0.000001739    0.000017795
     57        1          -0.000049574   -0.000013362   -0.000001359
     58        1           0.000043224    0.000065729    0.000208244
     59        1          -0.000059259   -0.000016526    0.000086424
     60        1          -0.000045101    0.000050562   -0.000042307
     61        1           0.000004453   -0.000003652    0.000016392
     62        1          -0.000145999   -0.000032671   -0.000011261
     63        1           0.000189067   -0.000371809    0.000118140
     64        1          -0.000127777   -0.000177563    0.000233440
     65        1          -0.000062875    0.000270141   -0.000380297
     66        1          -0.000163781    0.000418758   -0.000361340
     67        1          -0.000013469    0.000116592   -0.000077979
     68        1           0.000091563   -0.000053111    0.000066049
     69        1           0.000041339    0.000051263   -0.000029330
     70        1           0.000003820    0.000004159   -0.000012205
     71        1           0.000020812    0.000035382   -0.000004182
     72        1           0.000029754    0.000018352   -0.000004458
     73        1           0.000014587   -0.000014773   -0.000004002
     74        1          -0.000126894   -0.000120039   -0.000149904
     75        1          -0.000261815   -0.000407694   -0.000013045
     76        1          -0.000109672    0.000094640    0.000450111
     77        1           0.000845558    0.000245722   -0.000203684
     78        1           0.000206566   -0.000528894    0.000417840
     79        1          -0.000069847   -0.000263965    0.000349231
     80        1          -0.000098550   -0.000308036   -0.000276331
     81        1           0.000051658    0.000008211    0.000093692
     82        1          -0.000034177   -0.000009443   -0.000020212
     83        1           0.000028859    0.000034760   -0.000008249
     84        1           0.000040431    0.000011695   -0.000013344
     85        1          -0.000027437   -0.000014234    0.000049375
     86        1           0.000283568    0.000527829   -0.000535835
     87        1           0.000069761   -0.000015867   -0.000198608
     88        1          -0.000125785    0.000095004    0.000084895
     89        1           0.000014446   -0.000056263   -0.000083684
     90        1          -0.000036842   -0.000118132    0.000198856
     91        1           0.000212664    0.000507851    0.000730035
     92        1           0.000036978   -0.001198735    0.000098384
     93        1          -0.001764116   -0.000203681   -0.001514275
     94        1           0.000921043   -0.000005784    0.000213238
     95        1          -0.000131364   -0.000148183    0.000076050
     96        1           0.000154202   -0.000256434   -0.000309380
     97        1          -0.000132451   -0.000074049   -0.000226486
     98        1          -0.000161541    0.000235786   -0.000369796
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002137545 RMS     0.000440622

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003039457 RMS     0.000506302
 Search for a local minimum.
 Step number  34 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   33   34
 DE= -6.17D-04 DEPred=-4.65D-03 R= 1.33D-01
 Trust test= 1.33D-01 RLast= 8.96D-01 DXMaxT set to 2.50D+00
     Eigenvalues ---    0.00036   0.00129   0.00167   0.00223   0.00321
     Eigenvalues ---    0.00345   0.00424   0.00485   0.00582   0.00646
     Eigenvalues ---    0.00717   0.00736   0.00807   0.00892   0.00919
     Eigenvalues ---    0.00944   0.00977   0.01064   0.01188   0.01219
     Eigenvalues ---    0.01276   0.01334   0.01372   0.01391   0.01425
     Eigenvalues ---    0.01443   0.01512   0.01528   0.01600   0.01659
     Eigenvalues ---    0.01669   0.01749   0.01848   0.01926   0.01995
     Eigenvalues ---    0.02082   0.02186   0.02194   0.02203   0.02220
     Eigenvalues ---    0.02235   0.02257   0.02269   0.02289   0.02324
     Eigenvalues ---    0.02327   0.02371   0.02405   0.02408   0.02415
     Eigenvalues ---    0.02449   0.02482   0.02485   0.02527   0.02528
     Eigenvalues ---    0.02602   0.02689   0.02701   0.02756   0.03322
     Eigenvalues ---    0.03383   0.04008   0.04041   0.04135   0.04184
     Eigenvalues ---    0.04273   0.04436   0.04610   0.04761   0.04823
     Eigenvalues ---    0.04946   0.04990   0.04995   0.05118   0.05186
     Eigenvalues ---    0.05268   0.05296   0.05362   0.05394   0.05439
     Eigenvalues ---    0.05531   0.05576   0.05685   0.05725   0.05763
     Eigenvalues ---    0.05803   0.05840   0.05930   0.05984   0.06068
     Eigenvalues ---    0.06246   0.06381   0.06491   0.06648   0.06903
     Eigenvalues ---    0.07135   0.07390   0.07519   0.08082   0.08318
     Eigenvalues ---    0.08643   0.09582   0.09859   0.09948   0.10348
     Eigenvalues ---    0.11939   0.12896   0.13125   0.13161   0.13410
     Eigenvalues ---    0.13862   0.13895   0.14288   0.14605   0.15517
     Eigenvalues ---    0.15623   0.15690   0.15923   0.15949   0.15979
     Eigenvalues ---    0.15988   0.15997   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16004   0.16008
     Eigenvalues ---    0.16017   0.16032   0.16041   0.16052   0.16073
     Eigenvalues ---    0.16078   0.16145   0.16240   0.16745   0.16894
     Eigenvalues ---    0.17081   0.17640   0.17969   0.17989   0.18227
     Eigenvalues ---    0.18649   0.19125   0.19820   0.20307   0.21520
     Eigenvalues ---    0.21606   0.21777   0.21949   0.21999   0.22000
     Eigenvalues ---    0.22001   0.22058   0.22120   0.22180   0.22633
     Eigenvalues ---    0.22770   0.22986   0.23451   0.23484   0.23672
     Eigenvalues ---    0.23723   0.23901   0.24241   0.24527   0.24747
     Eigenvalues ---    0.24903   0.24986   0.25016   0.25049   0.25105
     Eigenvalues ---    0.25283   0.25463   0.25596   0.26470   0.29173
     Eigenvalues ---    0.29380   0.29635   0.29774   0.29897   0.30123
     Eigenvalues ---    0.30226   0.30416   0.30542   0.30736   0.30955
     Eigenvalues ---    0.31335   0.31427   0.31430   0.31500   0.31611
     Eigenvalues ---    0.31658   0.31787   0.31933   0.31988   0.32058
     Eigenvalues ---    0.32354   0.32515   0.32570   0.32590   0.32716
     Eigenvalues ---    0.32777   0.32839   0.32887   0.32928   0.33015
     Eigenvalues ---    0.33028   0.33061   0.33144   0.33174   0.33248
     Eigenvalues ---    0.33343   0.33499   0.33566   0.33595   0.33673
     Eigenvalues ---    0.33715   0.33889   0.33967   0.33975   0.33994
     Eigenvalues ---    0.34156   0.34240   0.34335   0.34347   0.34408
     Eigenvalues ---    0.34494   0.34545   0.34696   0.34973   0.35269
     Eigenvalues ---    0.36189   0.36247   0.36312   0.36375   0.36605
     Eigenvalues ---    0.36662   0.36830   0.36962   0.37304   0.38079
     Eigenvalues ---    0.38447   0.39242   0.40396   0.41031   0.41246
     Eigenvalues ---    0.42343   0.42365   0.42642   0.43296   0.43736
     Eigenvalues ---    0.44059   0.44429   0.45118   0.45995   0.47466
     Eigenvalues ---    0.47976   0.48334   0.48406   0.48585   0.48884
     Eigenvalues ---    0.49123   0.49184   0.49905   0.50315   0.50962
     Eigenvalues ---    0.51195   0.51338   0.52847   0.56354   0.58225
     Eigenvalues ---    0.59402   0.61860   0.62837   0.65172   0.76073
     Eigenvalues ---    0.78641   0.83912   2.155671000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    34   33   32   31   30
 RFO step:  Lambda=-2.04185088D-04.
 DIIS coeffs:      0.58323     -0.96986      0.49343     -1.33553      2.22874
 Iteration  1 RMS(Cart)=  0.24829996 RMS(Int)=  0.00961010
 Iteration  2 RMS(Cart)=  0.02061164 RMS(Int)=  0.00094372
 Iteration  3 RMS(Cart)=  0.00016743 RMS(Int)=  0.00093850
 Iteration  4 RMS(Cart)=  0.00000012 RMS(Int)=  0.00093850
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89503   0.00001  -0.00008  -0.00023  -0.00032   2.89471
    R2        2.07238  -0.00013  -0.00023  -0.00001  -0.00023   2.07215
    R3        2.07337   0.00007  -0.00005   0.00021   0.00016   2.07353
    R4        2.07226   0.00001  -0.00016  -0.00002  -0.00018   2.07208
    R5        2.89460  -0.00028  -0.00049   0.00008  -0.00041   2.89419
    R6        2.82786   0.00003   0.00014   0.00000   0.00014   2.82800
    R7        2.13101   0.00002   0.00012  -0.00003   0.00009   2.13110
    R8        2.07208   0.00001  -0.00001   0.00000   0.00000   2.07208
    R9        2.07345  -0.00004  -0.00001  -0.00010  -0.00011   2.07334
   R10        2.07246  -0.00004  -0.00017  -0.00005  -0.00021   2.07225
   R11        2.47831   0.00032   0.00115  -0.00004   0.00111   2.47942
   R12        3.37161  -0.00024  -0.00168   0.00002  -0.00166   3.36995
   R13        2.68496  -0.00052  -0.00236   0.00013  -0.00223   2.68273
   R14        2.84115   0.00014   0.00062  -0.00062   0.00000   2.84114
   R15        2.57860   0.00023   0.00173  -0.00010   0.00163   2.58022
   R16        2.80229  -0.00001  -0.00060   0.00072   0.00012   2.80242
   R17        2.11001   0.00003   0.00037   0.00002   0.00039   2.11041
   R18        2.12083  -0.00007  -0.00043   0.00001  -0.00042   2.12041
   R19        2.81311  -0.00038  -0.00122   0.00073  -0.00049   2.81262
   R20        2.68014   0.00050   0.00228   0.00122   0.00349   2.68363
   R21        2.08256   0.00007   0.00064   0.00000   0.00065   2.08320
   R22        2.09346   0.00000  -0.00005  -0.00008  -0.00013   2.09334
   R23        2.08299  -0.00013  -0.00083  -0.00018  -0.00101   2.08198
   R24        2.31673  -0.00013  -0.00080  -0.00029  -0.00109   2.31564
   R25        2.69189  -0.00042   0.00118   0.00030   0.00148   2.69337
   R26        2.80352  -0.00038   0.00191  -0.00092   0.00099   2.80451
   R27        1.94609  -0.00038  -0.00140   0.00051  -0.00089   1.94520
   R28        2.91097  -0.00013   0.00138   0.00012   0.00149   2.91246
   R29        2.94250   0.00036  -0.00013  -0.00025  -0.00038   2.94212
   R30        2.13660  -0.00005  -0.00043  -0.00015  -0.00058   2.13602
   R31        2.31984  -0.00025  -0.00170   0.00009  -0.00161   2.31823
   R32        2.61893  -0.00032   0.00169   0.00001   0.00169   2.62062
   R33        2.81213   0.00000  -0.00007   0.00003  -0.00003   2.81209
   R34        1.92688  -0.00028  -0.00211  -0.00020  -0.00231   1.92457
   R35        2.92282  -0.00034  -0.00122   0.00029  -0.00092   2.92190
   R36        2.91106   0.00082   0.00372  -0.00092   0.00280   2.91386
   R37        2.13197   0.00050   0.00243  -0.00014   0.00229   2.13426
   R38        2.84179  -0.00008  -0.00045  -0.00014  -0.00059   2.84121
   R39        2.10319   0.00009   0.00045   0.00016   0.00061   2.10380
   R40        2.09811  -0.00012  -0.00088  -0.00006  -0.00093   2.09718
   R41        2.65292   0.00005   0.00037  -0.00006   0.00031   2.65322
   R42        2.65264  -0.00009  -0.00034   0.00004  -0.00030   2.65234
   R43        2.64097  -0.00013  -0.00070   0.00003  -0.00067   2.64030
   R44        2.05870   0.00007   0.00065  -0.00003   0.00062   2.05932
   R45        2.64211   0.00005   0.00050  -0.00006   0.00044   2.64255
   R46        2.05898   0.00000  -0.00004   0.00003   0.00000   2.05898
   R47        2.64306  -0.00010  -0.00053   0.00004  -0.00049   2.64257
   R48        2.05628  -0.00003  -0.00032   0.00003  -0.00030   2.05598
   R49        2.64052   0.00000   0.00029   0.00001   0.00031   2.64082
   R50        2.05854  -0.00003  -0.00033   0.00004  -0.00029   2.05825
   R51        2.05540  -0.00002  -0.00024  -0.00004  -0.00028   2.05512
   R52        2.89357   0.00233   0.00377  -0.00061   0.00316   2.89673
   R53        2.10251   0.00003   0.00103  -0.00024   0.00080   2.10331
   R54        2.09210   0.00027   0.00005   0.00055   0.00061   2.09271
   R55        2.72892   0.00116  -0.00050   0.00040  -0.00010   2.72882
   R56        2.95143  -0.00087  -0.00135   0.00057  -0.00078   2.95066
   R57        2.10869  -0.00006  -0.00012  -0.00052  -0.00063   2.10806
   R58        1.88191   0.00077  -0.00052  -0.00004  -0.00056   1.88135
   R59        2.90501  -0.00024   0.00025  -0.00034  -0.00009   2.90492
   R60        2.82089  -0.00225  -0.00681   0.00083  -0.00598   2.81491
   R61        2.12600   0.00051   0.00039  -0.00015   0.00024   2.12624
   R62        2.84113   0.00039   0.00008   0.00071   0.00079   2.84192
   R63        2.11425  -0.00030  -0.00169  -0.00055  -0.00224   2.11201
   R64        2.09581   0.00036   0.00223   0.00011   0.00234   2.09815
   R65        2.65215  -0.00002  -0.00082   0.00024  -0.00058   2.65157
   R66        2.65111   0.00013   0.00081  -0.00011   0.00070   2.65181
   R67        2.63878   0.00008   0.00055  -0.00008   0.00046   2.63924
   R68        2.06457   0.00005  -0.00057   0.00023  -0.00033   2.06423
   R69        2.64413  -0.00006  -0.00057   0.00011  -0.00046   2.64368
   R70        2.05745   0.00000   0.00015   0.00003   0.00018   2.05763
   R71        2.64204   0.00002   0.00043  -0.00016   0.00027   2.64231
   R72        2.05509  -0.00003   0.00001   0.00000   0.00001   2.05510
   R73        2.64170  -0.00006  -0.00059   0.00023  -0.00037   2.64133
   R74        2.05679  -0.00003   0.00018  -0.00007   0.00011   2.05691
   R75        2.05345  -0.00003   0.00030  -0.00010   0.00020   2.05365
   R76        2.63091  -0.00260  -0.01514   0.00306  -0.01208   2.61883
   R77        1.94718  -0.00054  -0.01071   0.00264  -0.00807   1.93911
   R78        2.29286   0.00058   0.00138  -0.00049   0.00089   2.29374
   R79        2.64458  -0.00018   0.00418  -0.00099   0.00319   2.64777
   R80        2.75393   0.00030   0.00000   0.00030   0.00030   2.75422
   R81        2.79378   0.00002   0.00049   0.00009   0.00058   2.79435
   R82        2.09964  -0.00020  -0.00027  -0.00002  -0.00029   2.09936
   R83        2.09647   0.00011   0.00151  -0.00030   0.00121   2.09767
   R84        2.59027   0.00016  -0.00042   0.00013  -0.00030   2.58997
   R85        3.28813  -0.00020  -0.00049   0.00004  -0.00045   3.28768
   R86        2.66344  -0.00033  -0.00027   0.00010  -0.00017   2.66327
   R87        2.05265  -0.00002   0.00037  -0.00008   0.00029   2.05294
   R88        2.48356   0.00007  -0.00129   0.00031  -0.00098   2.48258
   R89        3.33983  -0.00033   0.00177  -0.00081   0.00096   3.34079
   R90        2.04781  -0.00020  -0.00024  -0.00010  -0.00033   2.04747
   R91        2.89162  -0.00140   0.00045  -0.00282  -0.00237   2.88925
   R92        2.89022   0.00068   0.00165   0.00016   0.00181   2.89203
   R93        2.12045   0.00035   0.00105  -0.00027   0.00079   2.12124
   R94        2.08083  -0.00104  -0.00466  -0.00073  -0.00540   2.07543
   R95        2.07686   0.00202   0.00419  -0.00033   0.00386   2.08072
   R96        2.07128   0.00020   0.00332  -0.00004   0.00328   2.07456
   R97        2.07435   0.00011  -0.00043   0.00006  -0.00037   2.07398
   R98        2.08098  -0.00011  -0.00029  -0.00001  -0.00031   2.08067
   R99        2.06796   0.00013   0.00097  -0.00008   0.00089   2.06885
   R100       3.28254  -0.00041  -0.00327  -0.00004  -0.00330   3.27924
   R101       2.04127  -0.00019  -0.00057  -0.00009  -0.00066   2.04061
    A1        1.93561  -0.00008  -0.00071   0.00018  -0.00053   1.93507
    A2        1.94542  -0.00003  -0.00041  -0.00006  -0.00048   1.94494
    A3        1.96013   0.00009   0.00073   0.00024   0.00097   1.96111
    A4        1.87369   0.00006   0.00015   0.00013   0.00029   1.87398
    A5        1.86968   0.00001  -0.00010  -0.00013  -0.00024   1.86944
    A6        1.87510  -0.00006   0.00036  -0.00037  -0.00001   1.87509
    A7        1.95120   0.00001  -0.00013   0.00008  -0.00005   1.95115
    A8        1.92292   0.00003   0.00123   0.00066   0.00189   1.92481
    A9        1.88834   0.00005   0.00095  -0.00031   0.00064   1.88898
   A10        1.92998  -0.00006  -0.00157  -0.00075  -0.00232   1.92765
   A11        1.88919  -0.00001  -0.00006   0.00014   0.00008   1.88927
   A12        1.88001  -0.00001  -0.00040   0.00018  -0.00021   1.87980
   A13        1.96210  -0.00003  -0.00045  -0.00043  -0.00088   1.96122
   A14        1.94636  -0.00008  -0.00037  -0.00014  -0.00052   1.94585
   A15        1.93432  -0.00001   0.00025   0.00006   0.00031   1.93463
   A16        1.87528   0.00005   0.00018   0.00017   0.00036   1.87564
   A17        1.86832   0.00003   0.00034   0.00016   0.00050   1.86882
   A18        1.87309   0.00006   0.00011   0.00021   0.00032   1.87341
   A19        2.20925  -0.00007  -0.00141   0.00000  -0.00141   2.20784
   A20        2.11701   0.00005   0.00125  -0.00001   0.00123   2.11824
   A21        1.95688   0.00003   0.00019   0.00003   0.00022   1.95710
   A22        1.96056  -0.00012  -0.00061  -0.00018  -0.00080   1.95976
   A23        2.03553   0.00032   0.00392   0.00050   0.00442   2.03996
   A24        2.01177   0.00007  -0.00005   0.00023   0.00019   2.01196
   A25        2.23582  -0.00039  -0.00388  -0.00073  -0.00461   2.23121
   A26        1.99258  -0.00012  -0.00046   0.00000  -0.00046   1.99212
   A27        1.91996  -0.00010  -0.00137  -0.00130  -0.00266   1.91730
   A28        1.91577  -0.00001   0.00064   0.00137   0.00202   1.91779
   A29        1.91235   0.00016   0.00198  -0.00014   0.00184   1.91419
   A30        1.87516   0.00010   0.00041  -0.00042  -0.00002   1.87515
   A31        1.84147  -0.00001  -0.00122   0.00056  -0.00066   1.84081
   A32        1.99407   0.00003   0.00026  -0.00105  -0.00081   1.99325
   A33        2.12781  -0.00009  -0.00060  -0.00286  -0.00348   2.12433
   A34        2.01676   0.00005   0.00009  -0.00203  -0.00196   2.01480
   A35        1.90013  -0.00003  -0.00125  -0.00018  -0.00143   1.89870
   A36        1.92068   0.00002   0.00079  -0.00054   0.00026   1.92094
   A37        1.96438  -0.00010  -0.00024   0.00071   0.00047   1.96484
   A38        1.88668   0.00002  -0.00072  -0.00007  -0.00079   1.88589
   A39        1.90120   0.00007   0.00098  -0.00009   0.00089   1.90209
   A40        1.88917   0.00003   0.00043   0.00015   0.00058   1.88975
   A41        2.12062  -0.00006  -0.00158   0.00036  -0.00120   2.11941
   A42        2.05723  -0.00013  -0.00138  -0.00051  -0.00188   2.05535
   A43        2.10527   0.00017   0.00262   0.00012   0.00275   2.10802
   A44        2.03532   0.00013  -0.00140  -0.00189  -0.00326   2.03207
   A45        2.07906  -0.00010  -0.00598  -0.00130  -0.00725   2.07181
   A46        1.97737  -0.00005  -0.00239  -0.00106  -0.00341   1.97396
   A47        1.88982   0.00007   0.00191   0.00113   0.00304   1.89286
   A48        1.90953   0.00156  -0.00177   0.00035  -0.00142   1.90811
   A49        1.89213  -0.00042  -0.00104  -0.00149  -0.00252   1.88961
   A50        1.94388  -0.00195   0.00218  -0.00115   0.00104   1.94492
   A51        1.93364   0.00096  -0.00183   0.00000  -0.00183   1.93181
   A52        1.89410  -0.00016   0.00044   0.00113   0.00157   1.89567
   A53        2.12605   0.00038   0.00400   0.00029   0.00427   2.13032
   A54        2.03457   0.00098  -0.00237   0.00097  -0.00142   2.03315
   A55        2.12167  -0.00129  -0.00138  -0.00101  -0.00241   2.11927
   A56        2.11206  -0.00227  -0.00211  -0.00084  -0.00294   2.10912
   A57        2.11446   0.00114   0.00424   0.00125   0.00549   2.11995
   A58        2.03493   0.00086  -0.00018   0.00082   0.00065   2.03558
   A59        1.90462   0.00120   0.00393  -0.00062   0.00330   1.90793
   A60        1.94090  -0.00304  -0.00568   0.00041  -0.00527   1.93562
   A61        1.87277   0.00072   0.00327  -0.00047   0.00279   1.87556
   A62        1.95423   0.00197   0.00066   0.00010   0.00075   1.95498
   A63        1.88881  -0.00086  -0.00280   0.00029  -0.00250   1.88631
   A64        1.90001   0.00000   0.00079   0.00028   0.00106   1.90107
   A65        1.99680  -0.00033  -0.00268  -0.00019  -0.00287   1.99393
   A66        1.89530   0.00010  -0.00039  -0.00024  -0.00063   1.89467
   A67        1.89806   0.00007   0.00054   0.00034   0.00087   1.89894
   A68        1.91688   0.00016   0.00102  -0.00017   0.00085   1.91773
   A69        1.92380   0.00008   0.00095   0.00053   0.00148   1.92528
   A70        1.82489  -0.00006   0.00084  -0.00028   0.00056   1.82545
   A71        2.09484   0.00004   0.00039  -0.00015   0.00024   2.09508
   A72        2.10283   0.00000  -0.00018   0.00012  -0.00007   2.10276
   A73        2.08547  -0.00004  -0.00019   0.00003  -0.00016   2.08531
   A74        2.09683   0.00003   0.00013  -0.00003   0.00010   2.09693
   A75        2.09772  -0.00003  -0.00093   0.00004  -0.00089   2.09683
   A76        2.08854   0.00000   0.00082  -0.00001   0.00081   2.08935
   A77        2.09866  -0.00001   0.00001   0.00005   0.00006   2.09872
   A78        2.09057   0.00000   0.00004  -0.00003   0.00001   2.09057
   A79        2.09395   0.00001  -0.00005  -0.00002  -0.00006   2.09389
   A80        2.08980  -0.00001  -0.00003  -0.00003  -0.00005   2.08974
   A81        2.09710  -0.00002  -0.00042   0.00010  -0.00031   2.09678
   A82        2.09628   0.00003   0.00044  -0.00008   0.00037   2.09665
   A83        2.09921   0.00000  -0.00005   0.00001  -0.00004   2.09917
   A84        2.09271   0.00000   0.00015   0.00004   0.00019   2.09290
   A85        2.09126   0.00001  -0.00010  -0.00005  -0.00015   2.09111
   A86        2.09634   0.00003   0.00013  -0.00003   0.00010   2.09644
   A87        2.09759  -0.00001  -0.00009   0.00002  -0.00007   2.09752
   A88        2.08924  -0.00002  -0.00004   0.00001  -0.00003   2.08921
   A89        1.95785  -0.00243  -0.00130   0.00140   0.00010   1.95794
   A90        1.92686   0.00032  -0.00184   0.00082  -0.00101   1.92586
   A91        1.90542   0.00117   0.00198  -0.00104   0.00094   1.90636
   A92        1.89409   0.00085  -0.00065   0.00049  -0.00015   1.89394
   A93        1.93183   0.00076   0.00451  -0.00101   0.00351   1.93534
   A94        1.84449  -0.00054  -0.00284  -0.00078  -0.00362   1.84087
   A95        1.86182   0.00074  -0.01364   0.00541  -0.00824   1.85358
   A96        1.96650   0.00064  -0.00209  -0.00015  -0.00231   1.96418
   A97        1.95506  -0.00026   0.00303  -0.00022   0.00284   1.95790
   A98        1.81663  -0.00026   0.01748  -0.00441   0.01307   1.82971
   A99        1.90994  -0.00060  -0.00018  -0.00079  -0.00091   1.90903
   A100       1.94599  -0.00026  -0.00409   0.00010  -0.00395   1.94203
   A101       1.92097  -0.00006   0.00109   0.00029   0.00138   1.92234
   A102       1.93918   0.00043  -0.00068  -0.00077  -0.00144   1.93773
   A103       1.90087  -0.00074  -0.00166   0.00096  -0.00068   1.90019
   A104       1.90322   0.00003  -0.00381   0.00175  -0.00206   1.90116
   A105       1.97382   0.00002  -0.00689  -0.00010  -0.00699   1.96683
   A106       1.90919   0.00019   0.00636  -0.00046   0.00590   1.91509
   A107       1.83376   0.00005   0.00702  -0.00130   0.00571   1.83947
   A108       1.94916   0.00021   0.00293  -0.00044   0.00249   1.95165
   A109       1.92468  -0.00018  -0.00500   0.00107  -0.00393   1.92075
   A110       1.91352  -0.00002   0.00025  -0.00115  -0.00090   1.91263
   A111       1.92202  -0.00007   0.00219   0.00001   0.00219   1.92421
   A112       1.92499  -0.00014  -0.00337  -0.00039  -0.00376   1.92123
   A113       1.82564   0.00019   0.00292   0.00098   0.00390   1.82954
   A114       2.09244   0.00013   0.00138   0.00038   0.00175   2.09420
   A115       2.10052  -0.00003  -0.00070  -0.00041  -0.00111   2.09940
   A116       2.09022  -0.00010  -0.00067   0.00003  -0.00064   2.08958
   A117       2.09424   0.00008   0.00057  -0.00008   0.00049   2.09474
   A118       2.08732  -0.00003   0.00120  -0.00017   0.00103   2.08835
   A119       2.10161  -0.00005  -0.00177   0.00024  -0.00152   2.10009
   A120       2.09853  -0.00004  -0.00012   0.00006  -0.00006   2.09846
   A121       2.09094   0.00005   0.00010  -0.00004   0.00006   2.09100
   A122       2.09372  -0.00002   0.00002  -0.00002   0.00000   2.09372
   A123       2.09120   0.00000  -0.00015   0.00000  -0.00015   2.09105
   A124       2.09590  -0.00003   0.00009  -0.00004   0.00005   2.09596
   A125       2.09609   0.00003   0.00005   0.00004   0.00010   2.09618
   A126       2.09857   0.00003   0.00005   0.00001   0.00006   2.09864
   A127       2.09302   0.00002   0.00008   0.00008   0.00016   2.09318
   A128       2.09159  -0.00005  -0.00012  -0.00010  -0.00022   2.09137
   A129       2.09361   0.00003   0.00032  -0.00003   0.00030   2.09390
   A130       2.09880   0.00002  -0.00015   0.00036   0.00021   2.09901
   A131       2.09078  -0.00005  -0.00017  -0.00034  -0.00051   2.09027
   A132       2.12581  -0.00051   0.01559  -0.00723   0.02038   2.14618
   A133       1.97824   0.00007   0.02860  -0.00945   0.03151   2.00976
   A134       2.03942  -0.00004   0.02222  -0.00839   0.02656   2.06599
   A135       2.27463   0.00007  -0.00005  -0.00025  -0.00008   2.27455
   A136       1.87482  -0.00092  -0.00140  -0.00033  -0.00151   1.87331
   A137       2.12977   0.00094   0.00337   0.00060   0.00420   2.13397
   A138       2.02792   0.00031  -0.00289   0.00183  -0.00106   2.02686
   A139       1.89649  -0.00120   0.00135  -0.00179  -0.00044   1.89606
   A140       1.76992   0.00032   0.00093  -0.00020   0.00073   1.77065
   A141       1.90855   0.00047   0.00062   0.00045   0.00107   1.90961
   A142       1.96633   0.00032  -0.00238   0.00065  -0.00172   1.96461
   A143       1.98670   0.00020  -0.00125   0.00131   0.00006   1.98677
   A144       1.92261  -0.00012   0.00108  -0.00064   0.00044   1.92305
   A145       2.25417  -0.00045  -0.00344   0.00075  -0.00267   2.25150
   A146       2.11814   0.00057   0.00381  -0.00085   0.00297   2.12112
   A147       1.91053  -0.00012  -0.00024   0.00003  -0.00020   1.91033
   A148       2.01311   0.00020   0.00065  -0.00012   0.00053   2.01364
   A149       2.21258  -0.00007  -0.00252   0.00055  -0.00197   2.21060
   A150       2.05750  -0.00012   0.00186  -0.00043   0.00144   2.05894
   A151       1.95409  -0.00028  -0.00004  -0.00019  -0.00023   1.95386
   A152       1.97004   0.00022  -0.00022   0.00028   0.00006   1.97011
   A153       2.19039  -0.00023  -0.00008  -0.00014  -0.00023   2.19016
   A154       2.12274   0.00000   0.00029  -0.00012   0.00017   2.12292
   A155       1.57690  -0.00002  -0.00017   0.00004  -0.00013   1.57677
   A156       1.96443   0.00059   0.00407  -0.00117   0.00290   1.96733
   A157       1.92285  -0.00056  -0.00487   0.00048  -0.00439   1.91846
   A158       1.84908   0.00028   0.00429   0.00210   0.00639   1.85547
   A159       1.93982  -0.00053   0.00023  -0.00163  -0.00141   1.93841
   A160       1.89345   0.00000  -0.00442  -0.00007  -0.00448   1.88898
   A161       1.89033   0.00027   0.00080   0.00052   0.00131   1.89165
   A162       1.96148  -0.00036  -0.00098   0.00016  -0.00080   1.96067
   A163       1.96831  -0.00130  -0.00311  -0.00120  -0.00431   1.96399
   A164       1.94292  -0.00016  -0.00030  -0.00249  -0.00277   1.94015
   A165       1.85372   0.00088   0.00328  -0.00061   0.00267   1.85639
   A166       1.86624   0.00002  -0.00306   0.00513   0.00209   1.86833
   A167       1.86444   0.00108   0.00448  -0.00062   0.00386   1.86830
   A168       1.92993   0.00028   0.00294  -0.00014   0.00280   1.93274
   A169       1.96568   0.00017  -0.00088   0.00054  -0.00033   1.96536
   A170       1.95995  -0.00006  -0.00253   0.00031  -0.00221   1.95774
   A171       1.85259  -0.00010   0.00286  -0.00005   0.00281   1.85540
   A172       1.86132  -0.00003   0.00259   0.00002   0.00261   1.86392
   A173       1.88824  -0.00028  -0.00468  -0.00074  -0.00540   1.88284
   A174       1.91548   0.00000   0.00011  -0.00017  -0.00005   1.91543
   A175       2.24841  -0.00043  -0.00602  -0.00094  -0.00695   2.24146
   A176       2.11929   0.00043   0.00588   0.00111   0.00700   2.12629
   A177       1.58008   0.00002   0.00034   0.00009   0.00043   1.58051
    D1        1.08635   0.00003  -0.01012  -0.00164  -0.01175   1.07459
    D2       -3.04338  -0.00002  -0.01134  -0.00207  -0.01341  -3.05680
    D3       -0.99231   0.00001  -0.01057  -0.00166  -0.01223  -1.00454
    D4       -3.11022   0.00003  -0.01067  -0.00140  -0.01207  -3.12229
    D5       -0.95677  -0.00002  -0.01189  -0.00183  -0.01372  -0.97049
    D6        1.09431   0.00001  -0.01112  -0.00142  -0.01254   1.08176
    D7       -1.00503   0.00000  -0.00999  -0.00175  -0.01174  -1.01677
    D8        1.14843  -0.00005  -0.01121  -0.00218  -0.01339   1.13503
    D9       -3.08369  -0.00002  -0.01044  -0.00177  -0.01221  -3.09590
   D10        1.00383  -0.00002  -0.00797   0.00223  -0.00574   0.99809
   D11        3.11131  -0.00004  -0.00832   0.00205  -0.00626   3.10505
   D12       -1.08625  -0.00002  -0.00826   0.00227  -0.00600  -1.09224
   D13       -1.14563  -0.00002  -0.00833   0.00187  -0.00646  -1.15209
   D14        0.96185  -0.00004  -0.00867   0.00169  -0.00699   0.95486
   D15        3.04748  -0.00002  -0.00862   0.00190  -0.00672   3.04076
   D16        3.08198   0.00003  -0.00692   0.00199  -0.00493   3.07705
   D17       -1.09372   0.00001  -0.00727   0.00181  -0.00546  -1.09918
   D18        0.99191   0.00003  -0.00722   0.00203  -0.00519   0.98672
   D19        1.99701   0.00014   0.02025   0.01510   0.03535   2.03235
   D20       -1.13360  -0.00003   0.01029   0.01269   0.02298  -1.11063
   D21       -2.12040   0.00012   0.01985   0.01514   0.03499  -2.08541
   D22        1.03217  -0.00005   0.00989   0.01273   0.02262   1.05479
   D23       -0.05921   0.00007   0.01866   0.01499   0.03365  -0.02556
   D24        3.09336  -0.00010   0.00870   0.01258   0.02128   3.11464
   D25       -3.13405   0.00000  -0.00442  -0.00043  -0.00485  -3.13891
   D26       -0.00259   0.00015   0.00476   0.00179   0.00656   0.00397
   D27        3.13516  -0.00006   0.00226   0.00031   0.00256   3.13773
   D28        0.00309  -0.00021  -0.00638  -0.00178  -0.00816  -0.00507
   D29        3.13157   0.00000   0.00002  -0.00081  -0.00078   3.13079
   D30        0.00052   0.00000   0.00001  -0.00086  -0.00085  -0.00033
   D31        2.15092   0.00002  -0.00394   0.01494   0.01100   2.16192
   D32       -1.97423   0.00007  -0.00273   0.01375   0.01102  -1.96321
   D33        0.04460  -0.00001  -0.00462   0.01448   0.00985   0.05446
   D34       -1.00279   0.00002  -0.00389   0.01502   0.01112  -0.99167
   D35        1.15525   0.00007  -0.00269   0.01383   0.01114   1.16639
   D36       -3.10910  -0.00001  -0.00457   0.01455   0.00998  -3.09913
   D37        0.00183  -0.00016  -0.00484  -0.00051  -0.00535  -0.00352
   D38       -3.14058   0.00000   0.00137  -0.00273  -0.00134   3.14126
   D39       -3.12779  -0.00016  -0.00491  -0.00058  -0.00549  -3.13328
   D40        0.01299   0.00000   0.00130  -0.00280  -0.00149   0.01150
   D41       -1.23887   0.00006   0.00206   0.01140   0.01345  -1.22542
   D42        1.32534   0.00006   0.00166   0.00005   0.00172   1.32706
   D43        2.88218   0.00015   0.00265   0.01321   0.01586   2.89804
   D44       -0.83680   0.00015   0.00226   0.00186   0.00412  -0.83267
   D45        0.88990   0.00003   0.00287   0.01284   0.01571   0.90561
   D46       -2.82908   0.00003   0.00248   0.00150   0.00398  -2.82509
   D47       -1.15632  -0.00002  -0.02052   0.00720  -0.01332  -1.16964
   D48        3.06203  -0.00004  -0.01937   0.00772  -0.01166   3.05037
   D49        0.95334  -0.00002  -0.02030   0.00742  -0.01289   0.94046
   D50        2.52459   0.00003  -0.01991   0.01811  -0.00180   2.52279
   D51        0.45975   0.00001  -0.01876   0.01862  -0.00013   0.45962
   D52       -1.64893   0.00003  -0.01969   0.01833  -0.00136  -1.65029
   D53       -2.88568  -0.00028   0.00011   0.00577   0.00586  -2.87982
   D54        0.26846   0.00046   0.01571   0.00779   0.02349   0.29195
   D55       -0.32839  -0.00028  -0.00024  -0.00542  -0.00566  -0.33405
   D56        2.82576   0.00046   0.01536  -0.00340   0.01197   2.83772
   D57        2.80109  -0.00027   0.00014   0.00361   0.00375   2.80483
   D58        0.32680  -0.00024   0.01524   0.01049   0.02574   0.35254
   D59       -0.32807   0.00047   0.01568   0.00561   0.02128  -0.30679
   D60       -2.80236   0.00050   0.03077   0.01249   0.04328  -2.75908
   D61       -1.81284  -0.00052   0.05850   0.01982   0.07832  -1.73452
   D62        2.34876   0.00088   0.05573   0.02031   0.07604   2.42481
   D63        0.28608   0.00044   0.05680   0.01962   0.07642   0.36250
   D64        0.69940  -0.00057   0.04281   0.01327   0.05608   0.75548
   D65       -1.42218   0.00082   0.04004   0.01376   0.05380  -1.36838
   D66        2.79832   0.00038   0.04111   0.01307   0.05418   2.85250
   D67       -0.59692  -0.00035   0.00032  -0.00777  -0.00745  -0.60438
   D68        2.49993   0.00124   0.00739  -0.00169   0.00570   2.50563
   D69        1.50336   0.00043   0.00070  -0.00730  -0.00660   1.49675
   D70       -1.68298   0.00202   0.00778  -0.00123   0.00655  -1.67642
   D71       -2.66973  -0.00044   0.00148  -0.00665  -0.00517  -2.67490
   D72        0.42712   0.00116   0.00856  -0.00057   0.00799   0.43511
   D73        1.08720   0.00086   0.09426  -0.00440   0.08985   1.17705
   D74       -3.02031   0.00017   0.09383  -0.00703   0.08680  -2.93351
   D75       -0.97939   0.00036   0.09466  -0.00499   0.08967  -0.88972
   D76       -1.00143   0.00098   0.09167  -0.00532   0.08635  -0.91509
   D77        1.17424   0.00029   0.09124  -0.00794   0.08330   1.25754
   D78       -3.06803   0.00048   0.09207  -0.00591   0.08616  -2.98187
   D79       -3.13453   0.00114   0.09226  -0.00533   0.08692  -3.04761
   D80       -0.95886   0.00045   0.09183  -0.00796   0.08387  -0.87499
   D81        1.08206   0.00064   0.09265  -0.00593   0.08673   1.16879
   D82        3.12936  -0.00220  -0.01815   0.00244  -0.01572   3.11364
   D83        0.21791  -0.00091  -0.02905  -0.00412  -0.03316   0.18475
   D84       -0.05685  -0.00057  -0.01100   0.00853  -0.00247  -0.05932
   D85       -2.96830   0.00073  -0.02189   0.00198  -0.01991  -2.98821
   D86        2.54590   0.00082  -0.07417  -0.00693  -0.08111   2.46479
   D87       -1.57298   0.00211  -0.07446  -0.00697  -0.08143  -1.65441
   D88        0.50311   0.00081  -0.07475  -0.00669  -0.08144   0.42167
   D89       -0.81579  -0.00035  -0.06323  -0.00060  -0.06383  -0.87962
   D90        1.34852   0.00093  -0.06352  -0.00063  -0.06415   1.28437
   D91       -2.85858  -0.00037  -0.06381  -0.00035  -0.06416  -2.92274
   D92        1.08522  -0.00088  -0.00413   0.00158  -0.00255   1.08267
   D93       -1.06276  -0.00094  -0.00331   0.00212  -0.00119  -1.06396
   D94       -3.03883  -0.00096  -0.00438   0.00240  -0.00198  -3.04081
   D95       -1.07120   0.00079  -0.00013   0.00144   0.00131  -1.06989
   D96        3.06400   0.00074   0.00069   0.00198   0.00267   3.06667
   D97        1.08793   0.00072  -0.00037   0.00226   0.00189   1.08982
   D98        3.11781   0.00015   0.00032   0.00085   0.00117   3.11898
   D99        0.96983   0.00010   0.00114   0.00138   0.00253   0.97236
   D100      -1.00624   0.00008   0.00008   0.00167   0.00175  -1.00449
   D101       1.21741  -0.00071  -0.03347   0.01103  -0.02245   1.19497
   D102      -0.89746  -0.00036  -0.03049   0.00887  -0.02162  -0.91908
   D103      -2.91789  -0.00056  -0.02718   0.00995  -0.01723  -2.93511
   D104      -2.92989   0.00006  -0.03204   0.01059  -0.02145  -2.95134
   D105       1.23842   0.00040  -0.02905   0.00843  -0.02062   1.21780
   D106      -0.78200   0.00020  -0.02574   0.00951  -0.01623  -0.79823
   D107      -0.84228   0.00021  -0.03460   0.01119  -0.02340  -0.86568
   D108      -2.95715   0.00056  -0.03161   0.00904  -0.02257  -2.97972
   D109       1.30561   0.00036  -0.02830   0.01012  -0.01818   1.28743
   D110      -1.62121  -0.00005   0.01630   0.00072   0.01702  -1.60420
   D111       1.53048  -0.00007   0.01431   0.00067   0.01498   1.54547
   D112       0.51507  -0.00003   0.01466   0.00014   0.01480   0.52987
   D113      -2.61642  -0.00005   0.01268   0.00009   0.01277  -2.60365
   D114       2.51670   0.00004   0.01681   0.00000   0.01681   2.53351
   D115      -0.61479   0.00001   0.01482  -0.00004   0.01478  -0.60001
   D116      -3.14157  -0.00002  -0.00143  -0.00028  -0.00171   3.13991
   D117      -0.01450  -0.00002   0.00004  -0.00048  -0.00043  -0.01493
   D118      -0.00998   0.00000   0.00053  -0.00023   0.00030  -0.00968
   D119       3.11709   0.00000   0.00201  -0.00043   0.00158   3.11867
   D120       3.14145   0.00003   0.00153   0.00024   0.00177  -3.13997
   D121       0.00586   0.00002   0.00137   0.00058   0.00194   0.00780
   D122       0.00991   0.00000  -0.00045   0.00019  -0.00025   0.00965
   D123      -3.12569   0.00000  -0.00061   0.00053  -0.00008  -3.12577
   D124       0.00262  -0.00001  -0.00027   0.00010  -0.00017   0.00245
   D125       3.14026  -0.00001   0.00004   0.00004   0.00008   3.14034
   D126      -3.12452   0.00000  -0.00173   0.00030  -0.00143  -3.12595
   D127       0.01312   0.00000  -0.00142   0.00024  -0.00118   0.01194
   D128       0.00486   0.00001  -0.00008   0.00007  -0.00001   0.00485
   D129       3.14151   0.00000   0.00025  -0.00003   0.00021  -3.14147
   D130      -3.13277   0.00001  -0.00039   0.00013  -0.00026  -3.13303
   D131       0.00388   0.00001  -0.00007   0.00003  -0.00004   0.00384
   D132      -0.00493   0.00000   0.00017  -0.00011   0.00006  -0.00487
   D133       3.13437   0.00000   0.00033  -0.00018   0.00016   3.13453
   D134      -3.14158   0.00000  -0.00016   0.00000  -0.00016   3.14144
   D135      -0.00228   0.00000   0.00001  -0.00007  -0.00006  -0.00234
   D136      -0.00248   0.00000   0.00010  -0.00002   0.00007  -0.00241
   D137       3.13314   0.00000   0.00026  -0.00036  -0.00010   3.13304
   D138       3.14140  -0.00001  -0.00007   0.00004  -0.00002   3.14137
   D139      -0.00616   0.00000   0.00009  -0.00029  -0.00020  -0.00636
   D140      -1.68953   0.00085   0.00144   0.00488   0.00632  -1.68321
   D141       2.61085   0.00040  -0.01039   0.00707  -0.00331   2.60754
   D142       0.39993   0.00043  -0.00563   0.00724   0.00160   0.40153
   D143       0.44409   0.00025  -0.00216   0.00717   0.00501   0.44910
   D144      -1.53872  -0.00020  -0.01399   0.00936  -0.00462  -1.54334
   D145       2.53355  -0.00016  -0.00923   0.00953   0.00029   2.53384
   D146       2.46072   0.00051  -0.00346   0.00597   0.00250   2.46322
   D147       0.47792   0.00006  -0.01529   0.00815  -0.00713   0.47079
   D148      -1.73300   0.00009  -0.01054   0.00832  -0.00222  -1.73522
   D149       2.00932  -0.00066   0.21064  -0.05366   0.15691   2.16623
   D150      -2.19097   0.00028   0.21019  -0.05350   0.15678  -2.03419
   D151      -0.10907  -0.00045   0.21507  -0.05617   0.15889   0.04982
   D152      -1.20671  -0.00006   0.00342  -0.00854  -0.00512  -1.21182
   D153       2.89107   0.00015   0.01380  -0.00855   0.00525   2.89632
   D154       0.89894   0.00047   0.00840  -0.00845  -0.00005   0.89890
   D155       3.06627  -0.00108   0.01048  -0.01231  -0.00183   3.06443
   D156       0.88086  -0.00088   0.02086  -0.01232   0.00853   0.88939
   D157      -1.11127  -0.00056   0.01546  -0.01222   0.00324  -1.10803
   D158       1.00905  -0.00010   0.00251  -0.00888  -0.00636   1.00269
   D159      -1.17635   0.00011   0.01289  -0.00889   0.00400  -1.17235
   D160       3.11470   0.00043   0.00749  -0.00879  -0.00129   3.11341
   D161       2.92361   0.00036   0.03093  -0.00691   0.02401   2.94763
   D162      -1.21650   0.00029   0.03220  -0.00645   0.02575  -1.19075
   D163       0.78462   0.00041   0.03305  -0.00532   0.02774   0.81235
   D164      -1.21565  -0.00027   0.02328  -0.00632   0.01696  -1.19870
   D165       0.92742  -0.00034   0.02455  -0.00585   0.01870   0.94612
   D166       2.92854  -0.00022   0.02541  -0.00473   0.02068   2.94921
   D167       0.82149  -0.00007   0.03195  -0.00831   0.02364   0.84513
   D168       2.96456  -0.00014   0.03322  -0.00784   0.02539   2.98995
   D169      -1.31751  -0.00002   0.03408  -0.00672   0.02737  -1.29014
   D170       1.34702  -0.00045   0.03266  -0.02272   0.00894   1.35596
   D171      -1.23300   0.00040  -0.20370   0.02579  -0.17692  -1.40991
   D172      -0.81802  -0.00047   0.03951  -0.02236   0.01616  -0.80186
   D173       2.88515   0.00038  -0.19685   0.02615  -0.16970   2.71545
   D174      -2.89919  -0.00075   0.03109  -0.02091   0.00919  -2.89001
   D175       0.80397   0.00011  -0.20527   0.02760  -0.17667   0.62730
   D176       1.69773  -0.00003   0.05595  -0.01069   0.04525   1.74298
   D177      -1.44649  -0.00004   0.05556  -0.01120   0.04435  -1.40214
   D178      -0.44685   0.00011   0.05876  -0.01176   0.04699  -0.39986
   D179       2.69211   0.00009   0.05837  -0.01228   0.04609   2.73820
   D180      -2.45303   0.00000   0.05590  -0.01273   0.04317  -2.40986
   D181       0.68594  -0.00002   0.05551  -0.01324   0.04227   0.72821
   D182       3.13887  -0.00003  -0.00218  -0.00018  -0.00237   3.13650
   D183      -0.00723  -0.00006  -0.00206  -0.00065  -0.00270  -0.00993
   D184      -0.00011  -0.00002  -0.00180   0.00032  -0.00147  -0.00158
   D185       3.13698  -0.00004  -0.00167  -0.00014  -0.00181   3.13517
   D186      -3.13835   0.00003   0.00138   0.00034   0.00173  -3.13662
   D187       0.00276   0.00003   0.00033   0.00065   0.00098   0.00373
   D188       0.00062   0.00002   0.00100  -0.00017   0.00083   0.00145
   D189      -3.14147   0.00002  -0.00005   0.00014   0.00009  -3.14138
   D190      -0.00074   0.00001   0.00150  -0.00027   0.00122   0.00048
   D191       3.13981   0.00001   0.00195  -0.00035   0.00160   3.14141
   D192      -3.13779   0.00003   0.00136   0.00019   0.00155  -3.13623
   D193       0.00276   0.00003   0.00181   0.00011   0.00193   0.00469
   D194       0.00108   0.00000  -0.00040   0.00007  -0.00033   0.00074
   D195      -3.14127   0.00000   0.00005   0.00000   0.00005  -3.14122
   D196      -3.13948   0.00000  -0.00085   0.00014  -0.00070  -3.14018
   D197       0.00136   0.00000  -0.00039   0.00008  -0.00032   0.00104
   D198      -0.00056  -0.00001  -0.00040   0.00009  -0.00031  -0.00087
   D199       3.14103   0.00000   0.00021   0.00002   0.00023   3.14126
   D200      -3.14140  -0.00001  -0.00085   0.00016  -0.00069   3.14109
   D201       0.00019  -0.00001  -0.00024   0.00009  -0.00015   0.00004
   D202      -0.00028   0.00000   0.00009  -0.00004   0.00005  -0.00023
   D203      -3.14139  -0.00001   0.00115  -0.00035   0.00080  -3.14059
   D204       3.14131  -0.00001  -0.00051   0.00003  -0.00049   3.14083
   D205       0.00020  -0.00001   0.00054  -0.00028   0.00026   0.00046
   D206       0.47708   0.00020  -0.20677   0.03622  -0.17001   0.30706
   D207      -2.76062   0.00133  -0.16701   0.03658  -0.12990  -2.89051
   D208       3.03869  -0.00065   0.03758  -0.01418   0.02287   3.06156
   D209      -0.19900   0.00048   0.07734  -0.01382   0.06299  -0.13602
   D210       3.09786  -0.00102  -0.06634   0.00046  -0.06587   3.03199
   D211      -0.13012  -0.00005  -0.03069   0.00074  -0.02995  -0.16008
   D212      -1.54142   0.00041  -0.02115   0.00104  -0.02011  -1.56153
   D213       2.66686   0.00039  -0.01948   0.00115  -0.01833   2.64852
   D214       0.63659   0.00017  -0.02141   0.00179  -0.01962   0.61697
   D215      -1.08483   0.00013   0.20112  -0.03512   0.16600  -0.91883
   D216       2.02584  -0.00009   0.20926  -0.03841   0.17085   2.19669
   D217       0.86204  -0.00001   0.20177  -0.03606   0.16572   1.02775
   D218      -2.31049  -0.00023   0.20991  -0.03934   0.17057  -2.13992
   D219       3.06718   0.00028   0.20018  -0.03527   0.16491  -3.05110
   D220      -0.10534   0.00005   0.20832  -0.03856   0.16976   0.06442
   D221       3.12117  -0.00030   0.00447  -0.00402   0.00047   3.12164
   D222      -0.02097  -0.00006   0.00677  -0.00415   0.00264  -0.01833
   D223       0.00759  -0.00010  -0.00293  -0.00103  -0.00397   0.00362
   D224      -3.13455   0.00014  -0.00063  -0.00116  -0.00180  -3.13635
   D225      -3.12741   0.00023  -0.00535   0.00474  -0.00058  -3.12799
   D226      -0.01125   0.00003   0.00132   0.00205   0.00337  -0.00789
   D227       0.00237   0.00014   0.00349  -0.00108   0.00241   0.00478
   D228      -3.13873  -0.00008   0.00140  -0.00096   0.00045  -3.13828
   D229      -0.01123  -0.00011  -0.00232   0.00267   0.00035  -0.01089
   D230       3.13500  -0.00007  -0.00124  -0.00203  -0.00327   3.13173
   D231       0.01326   0.00005   0.00061  -0.00278  -0.00217   0.01108
   D232      -3.13277   0.00001  -0.00043   0.00171   0.00128  -3.13149
   D233      -1.05502  -0.00053   0.22237  -0.03658   0.18578  -0.86924
   D234       1.03980  -0.00057   0.22370  -0.03812   0.18557   1.22537
   D235       3.13519  -0.00020   0.22711  -0.04152   0.18559  -2.96241
   D236       3.06183   0.00018   0.22557  -0.03509   0.19047  -3.03088
   D237      -1.12653   0.00013   0.22690  -0.03663   0.19027  -0.93626
   D238       0.96886   0.00051   0.23031  -0.04004   0.19028   1.15914
   D239       0.98533   0.00016   0.22722  -0.03472   0.19249   1.17782
   D240       3.08015   0.00011   0.22854  -0.03626   0.19228  -3.01075
   D241      -1.10765   0.00049   0.23195  -0.03966   0.19230  -0.91535
   D242       2.99711   0.00010   0.05554  -0.00648   0.04905   3.04616
   D243      -1.21661   0.00027   0.06060  -0.00629   0.05431  -1.16230
   D244       0.92035  -0.00001   0.05193  -0.00662   0.04531   0.96566
   D245      -1.09634   0.00006   0.05739  -0.00883   0.04856  -1.04779
   D246       0.97313   0.00023   0.06245  -0.00864   0.05382   1.02695
   D247       3.11009  -0.00005   0.05378  -0.00897   0.04481  -3.12828
   D248       0.98203  -0.00009   0.05261  -0.00955   0.04306   1.02509
   D249       3.05150   0.00009   0.05767  -0.00936   0.04832   3.09982
   D250      -1.09472  -0.00020   0.04901  -0.00969   0.03932  -1.05541
   D251      -0.00267   0.00020   0.00610   0.00123   0.00733   0.00467
   D252       3.13967   0.00006   0.00036   0.00326   0.00365  -3.13987
         Item               Value     Threshold  Converged?
 Maximum Force            0.003039     0.000450     NO 
 RMS     Force            0.000506     0.000300     NO 
 Maximum Displacement     2.009218     0.001800     NO 
 RMS     Displacement     0.256472     0.001200     NO 
 Predicted change in Energy=-5.229885D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.051881   -2.711025   -0.009547
      2          6           0       -9.014742   -1.285692   -0.569463
      3          6           0      -10.066592   -0.388400    0.089399
      4          6           0       -7.648366   -0.698405   -0.403125
      5          7           0       -6.833613   -0.333019   -1.364453
      6          6           0       -5.609485    0.184266   -0.865149
      7          6           0       -4.591597    0.621973   -1.881385
      8          7           0       -4.149988    2.029559   -1.730070
      9          6           0       -5.187536    3.036096   -2.084522
     10          6           0       -3.242687    2.421836   -0.710438
     11          8           0       -3.087421    3.600099   -0.411857
     12          7           0       -2.485667    1.400315   -0.066377
     13          6           0       -1.262573    1.837675    0.651443
     14          6           0       -0.043910    1.569747   -0.253213
     15          8           0        0.008773    0.601647   -1.004835
     16          7           0        0.980195    2.503520   -0.204036
     17          6           0        2.217406    2.322169   -1.010789
     18          6           0        2.672342    3.692268   -1.564507
     19          6           0        3.026229    4.699381   -0.505730
     20          6           0        2.049542    5.585718   -0.024297
     21          6           0        2.375472    6.521153    0.961026
     22          6           0        3.675925    6.582555    1.471429
     23          6           0        4.652952    5.706900    0.987561
     24          6           0        4.332818    4.769165    0.002132
     25          6           0        3.321637    1.639584   -0.178707
     26          6           0        2.982757    0.180428    0.146486
     27          8           0        2.403368    0.186486    1.469169
     28          6           0        4.255107   -0.715969    0.271491
     29          6           0        4.929333   -0.910336   -1.096238
     30          6           0        6.289696   -1.537857   -0.964753
     31          6           0        6.453969   -2.911560   -1.198821
     32          6           0        7.718107   -3.493859   -1.082844
     33          6           0        8.824302   -2.712185   -0.732923
     34          6           0        8.661798   -1.343431   -0.497948
     35          6           0        7.399389   -0.754482   -0.612490
     36          7           0        3.874948   -2.005387    0.913161
     37          6           0        3.233720   -3.027054    0.230859
     38          8           0        3.121870   -3.226096   -0.961272
     39          8           0        2.740692   -3.923303    1.188382
     40          6           0        1.904449   -5.005345    0.684290
     41          6           0        0.497708   -4.549774    0.673843
     42          6           0       -0.238770   -4.000923    1.691084
     43          7           0       -1.560222   -3.644028    1.355469
     44          6           0       -1.839620   -3.918711    0.101530
     45         16           0       -0.473354   -4.628177   -0.767574
     46          6           0       -1.151850    1.065274    1.998693
     47          6           0       -0.885751   -0.427588    1.803331
     48          6           0       -0.076288    1.705003    2.879615
     49          6           0       -5.499184    0.209868    0.495542
     50         16           0       -6.949222   -0.417534    1.213186
     51          1           0      -10.023110   -3.181701   -0.203356
     52          1           0       -8.283350   -3.343480   -0.471445
     53          1           0       -8.891131   -2.737613    1.074776
     54          1           0       -9.234698   -1.334877   -1.674439
     55          1           0       -9.954500   -0.345011    1.179288
     56          1           0      -10.011152    0.640117   -0.288553
     57          1           0      -11.078474   -0.757863   -0.115773
     58          1           0       -3.704925   -0.056104   -1.846436
     59          1           0       -5.012694    0.510991   -2.915504
     60          1           0       -5.384988    2.976210   -3.167423
     61          1           0       -4.820074    4.056378   -1.858475
     62          1           0       -6.131908    2.880245   -1.538904
     63          1           0       -2.372665    0.494411   -0.541917
     64          1           0       -1.358714    2.941455    0.875232
     65          1           0        1.002001    3.231593    0.507757
     66          1           0        1.956437    1.659174   -1.887080
     67          1           0        1.865692    4.096334   -2.216771
     68          1           0        3.531936    3.534092   -2.248382
     69          1           0        1.037138    5.555264   -0.426360
     70          1           0        1.613181    7.206919    1.329518
     71          1           0        3.927713    7.311606    2.238752
     72          1           0        5.668419    5.756580    1.378297
     73          1           0        5.101833    4.098024   -0.373220
     74          1           0        3.480063    2.187143    0.777274
     75          1           0        4.283878    1.709717   -0.722343
     76          1           0        2.251626   -0.253174   -0.575911
     77          1           0        1.502914   -0.237786    1.450951
     78          1           0        4.976255   -0.228685    0.984568
     79          1           0        4.278949   -1.532138   -1.759147
     80          1           0        5.009534    0.068506   -1.614110
     81          1           0        5.588317   -3.521400   -1.467069
     82          1           0        7.841571   -4.560227   -1.265096
     83          1           0        9.807648   -3.167963   -0.643611
     84          1           0        9.521049   -0.733433   -0.225274
     85          1           0        7.282146    0.310229   -0.429032
     86          1           0        3.795006   -1.976725    1.935775
     87          1           0        2.090198   -5.798073    1.440100
     88          1           0        2.278663   -5.328506   -0.309552
     89          1           0        0.095428   -3.818636    2.708573
     90          1           0       -2.792312   -3.742958   -0.383662
     91          1           0       -2.143950    1.181050    2.510908
     92          1           0       -1.579970   -0.884919    1.085623
     93          1           0        0.128575   -0.629397    1.425481
     94          1           0       -0.992193   -0.976119    2.748305
     95          1           0       -0.053436    1.232539    3.869950
     96          1           0        0.935689    1.593368    2.460402
     97          1           0       -0.256751    2.772462    3.042470
     98          1           0       -4.670438    0.555592    1.095308
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0666177      0.0294513      0.0220639
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3566.3667165660 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.247614311942     A.U. after   21 cycles
             Convg  =    0.6082D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000074006    0.000009228    0.000002261
      2        6           0.000029369    0.000086691    0.000061904
      3        6          -0.000031194    0.000002327    0.000020591
      4        6           0.000130026   -0.000084252   -0.000113297
      5        7          -0.000212639   -0.000050623    0.000028762
      6        6           0.000231803    0.000189813    0.000023902
      7        6          -0.000194266   -0.000142835   -0.000301118
      8        7           0.000134021   -0.000285155    0.000324100
      9        6          -0.000237706    0.000166637   -0.000034154
     10        6          -0.000504712    0.000530987   -0.000501599
     11        8           0.000288471   -0.000175102    0.000175005
     12        7           0.000173572   -0.000184429   -0.000025386
     13        6           0.000061472   -0.000073714   -0.000172016
     14        6          -0.000450170    0.000825591    0.000634250
     15        8           0.000130153   -0.000473068   -0.000267042
     16        7          -0.000066977    0.000022754    0.000399613
     17        6           0.000177139   -0.000161122   -0.000275630
     18        6           0.000044783    0.000208098   -0.000004105
     19        6          -0.000034681   -0.000028534    0.000004178
     20        6          -0.000002320   -0.000059159   -0.000017694
     21        6           0.000051610   -0.000000181   -0.000001770
     22        6          -0.000037868   -0.000026023    0.000013309
     23        6          -0.000031097    0.000006672    0.000002688
     24        6           0.000019095   -0.000015081    0.000004364
     25        6          -0.000211144   -0.000146010   -0.000066573
     26        6          -0.000027832   -0.000065884    0.000137752
     27        8          -0.001525642   -0.000578203   -0.000061462
     28        6           0.000834748    0.000593648    0.000670795
     29        6          -0.000173803   -0.000090954   -0.000065705
     30        6           0.000105205   -0.000072635   -0.000059480
     31        6           0.000215340    0.000139289    0.000067650
     32        6          -0.000051240    0.000060153    0.000049419
     33        6          -0.000017292    0.000018132    0.000030167
     34        6           0.000071737    0.000001196   -0.000029765
     35        6          -0.000131663   -0.000015362    0.000002598
     36        7          -0.001657896    0.001234178    0.000447474
     37        6           0.001460811   -0.002499407   -0.000446923
     38        8          -0.000553036    0.000034471   -0.000067983
     39        8          -0.000284078   -0.000355179    0.000036106
     40        6          -0.000171500   -0.000037399    0.000013970
     41        6          -0.000220284    0.000398213   -0.000276589
     42        6           0.000146040    0.000029495    0.000110828
     43        7          -0.000144782    0.000062619    0.000305018
     44        6          -0.000251989    0.000430587    0.000030625
     45       16           0.000257172   -0.000251198   -0.000085775
     46        6           0.000026024    0.000027131   -0.000294938
     47        6           0.000255767   -0.001149815    0.000285449
     48        6           0.000152774    0.000017078    0.000078961
     49        6           0.000035746    0.000012125    0.000095406
     50       16          -0.000102562    0.000010392    0.000065065
     51        1          -0.000001301   -0.000002882   -0.000021947
     52        1           0.000030122   -0.000014982    0.000014666
     53        1           0.000023878   -0.000002748    0.000043319
     54        1           0.000005207    0.000007176   -0.000034827
     55        1           0.000044306   -0.000028976    0.000008849
     56        1           0.000010034   -0.000026661   -0.000029916
     57        1           0.000005068    0.000009183    0.000000726
     58        1           0.000014738    0.000083329   -0.000111954
     59        1           0.000036336    0.000073326    0.000073563
     60        1           0.000038476   -0.000000671    0.000011669
     61        1           0.000024262   -0.000053165   -0.000027177
     62        1           0.000094668   -0.000019231    0.000008148
     63        1           0.000136989   -0.000253959   -0.000156887
     64        1          -0.000082347   -0.000077964    0.000118350
     65        1           0.000044996    0.000032424   -0.000243820
     66        1          -0.000046161    0.000008147   -0.000042992
     67        1          -0.000046861   -0.000017258    0.000033952
     68        1          -0.000009661   -0.000038714    0.000001930
     69        1           0.000021882    0.000024746   -0.000002536
     70        1          -0.000006694    0.000005094   -0.000006737
     71        1           0.000010062    0.000003913   -0.000001064
     72        1           0.000015628    0.000001544   -0.000002864
     73        1          -0.000007664    0.000004380    0.000012435
     74        1           0.000086768    0.000137890   -0.000031428
     75        1           0.000093452    0.000002277    0.000145931
     76        1          -0.000009108   -0.000056741    0.000010914
     77        1           0.000672844    0.000217617   -0.000185135
     78        1           0.000039725   -0.000127451    0.000154258
     79        1           0.000062642    0.000260930   -0.000011395
     80        1          -0.000025305    0.000136645    0.000086950
     81        1          -0.000059690   -0.000136315   -0.000031729
     82        1          -0.000006404   -0.000025174   -0.000020940
     83        1           0.000002939    0.000014515   -0.000008107
     84        1           0.000002498   -0.000002506    0.000004791
     85        1           0.000034481    0.000025751    0.000019025
     86        1           0.000463387    0.000914272   -0.000958406
     87        1           0.000059382   -0.000075418    0.000029075
     88        1          -0.000040167   -0.000089489    0.000043631
     89        1          -0.000007436   -0.000067766   -0.000006325
     90        1           0.000023988   -0.000027414    0.000003239
     91        1           0.000107459    0.000268913    0.000073686
     92        1           0.000430369   -0.000458304    0.000800006
     93        1          -0.000313101    0.000723808   -0.000522254
     94        1           0.000463581    0.000752333   -0.000112042
     95        1          -0.000049282    0.000005890   -0.000046701
     96        1          -0.000003596   -0.000109785   -0.000016741
     97        1          -0.000000521   -0.000022258   -0.000043168
     98        1          -0.000015365   -0.000074451    0.000024764
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002499407 RMS     0.000319186

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003624383 RMS     0.000571413
 Search for a local minimum.
 Step number  35 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   30   31   33   34   35
 DE=  7.09D-04 DEPred=-5.23D-04 R=-1.36D+00
 Trust test=-1.36D+00 RLast= 9.50D-01 DXMaxT set to 1.25D+00
     Eigenvalues ---    0.00012   0.00119   0.00150   0.00222   0.00322
     Eigenvalues ---    0.00355   0.00421   0.00479   0.00584   0.00641
     Eigenvalues ---    0.00719   0.00733   0.00818   0.00904   0.00934
     Eigenvalues ---    0.00953   0.00983   0.01061   0.01201   0.01216
     Eigenvalues ---    0.01283   0.01320   0.01369   0.01394   0.01422
     Eigenvalues ---    0.01432   0.01445   0.01534   0.01575   0.01633
     Eigenvalues ---    0.01680   0.01749   0.01879   0.01926   0.01993
     Eigenvalues ---    0.02079   0.02191   0.02194   0.02203   0.02219
     Eigenvalues ---    0.02231   0.02258   0.02268   0.02290   0.02327
     Eigenvalues ---    0.02334   0.02371   0.02406   0.02408   0.02415
     Eigenvalues ---    0.02449   0.02482   0.02485   0.02527   0.02528
     Eigenvalues ---    0.02620   0.02694   0.02699   0.02782   0.03298
     Eigenvalues ---    0.03384   0.04009   0.04063   0.04139   0.04192
     Eigenvalues ---    0.04290   0.04469   0.04608   0.04747   0.04820
     Eigenvalues ---    0.04932   0.04959   0.05043   0.05151   0.05190
     Eigenvalues ---    0.05251   0.05335   0.05374   0.05425   0.05456
     Eigenvalues ---    0.05536   0.05662   0.05709   0.05731   0.05757
     Eigenvalues ---    0.05842   0.05877   0.05927   0.05994   0.06079
     Eigenvalues ---    0.06254   0.06483   0.06584   0.06693   0.06924
     Eigenvalues ---    0.07135   0.07438   0.07532   0.08116   0.08591
     Eigenvalues ---    0.08730   0.09645   0.09833   0.09927   0.10363
     Eigenvalues ---    0.11934   0.12904   0.13111   0.13212   0.13444
     Eigenvalues ---    0.13752   0.13891   0.14306   0.15353   0.15565
     Eigenvalues ---    0.15665   0.15729   0.15928   0.15949   0.15979
     Eigenvalues ---    0.15986   0.15995   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16002   0.16004   0.16007
     Eigenvalues ---    0.16017   0.16031   0.16046   0.16064   0.16074
     Eigenvalues ---    0.16087   0.16213   0.16277   0.16570   0.16890
     Eigenvalues ---    0.17090   0.17646   0.17933   0.17985   0.18342
     Eigenvalues ---    0.18609   0.19115   0.19738   0.20314   0.21486
     Eigenvalues ---    0.21555   0.21819   0.21903   0.22000   0.22001
     Eigenvalues ---    0.22004   0.22040   0.22089   0.22139   0.22604
     Eigenvalues ---    0.22720   0.22967   0.23455   0.23484   0.23660
     Eigenvalues ---    0.23724   0.23880   0.24243   0.24491   0.24688
     Eigenvalues ---    0.24963   0.24986   0.25013   0.25050   0.25137
     Eigenvalues ---    0.25311   0.25472   0.25815   0.26515   0.29227
     Eigenvalues ---    0.29388   0.29676   0.29777   0.29926   0.30135
     Eigenvalues ---    0.30225   0.30417   0.30520   0.30745   0.30958
     Eigenvalues ---    0.31335   0.31428   0.31433   0.31501   0.31622
     Eigenvalues ---    0.31657   0.31688   0.31854   0.32004   0.32267
     Eigenvalues ---    0.32299   0.32423   0.32577   0.32618   0.32718
     Eigenvalues ---    0.32777   0.32849   0.32878   0.32950   0.33017
     Eigenvalues ---    0.33058   0.33073   0.33110   0.33181   0.33249
     Eigenvalues ---    0.33329   0.33528   0.33566   0.33605   0.33674
     Eigenvalues ---    0.33704   0.33891   0.33976   0.33994   0.34089
     Eigenvalues ---    0.34173   0.34242   0.34338   0.34374   0.34438
     Eigenvalues ---    0.34494   0.34580   0.34725   0.34922   0.35252
     Eigenvalues ---    0.36216   0.36250   0.36312   0.36375   0.36487
     Eigenvalues ---    0.36642   0.36838   0.36961   0.37325   0.38240
     Eigenvalues ---    0.38864   0.39233   0.40310   0.41113   0.41320
     Eigenvalues ---    0.42227   0.42544   0.42907   0.43300   0.43510
     Eigenvalues ---    0.43849   0.44247   0.45113   0.45974   0.47403
     Eigenvalues ---    0.47806   0.48365   0.48430   0.48595   0.48854
     Eigenvalues ---    0.49090   0.49740   0.50078   0.50625   0.51045
     Eigenvalues ---    0.51215   0.51315   0.52039   0.56349   0.58143
     Eigenvalues ---    0.59344   0.62736   0.65166   0.76025   0.77963
     Eigenvalues ---    0.82493   0.84077   1.924561000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    35   34   33   32   31
 RFO step:  Lambda=-2.45185044D-04.
 DIIS coeffs:      1.90289      1.44603     -5.26566     -0.34844      3.26518
 Matrix for removal  3 Erem=-0.247705916345240     Crem=-0.527D+01
 En-DIIS coeffs:      1.90289      1.44603     -5.26566     -0.34844      3.26518
 Point #    5 is marked for removal
 Iteration  1 RMS(Cart)=  0.27817602 RMS(Int)=  0.01879015
 Iteration  2 RMS(Cart)=  0.07394148 RMS(Int)=  0.00154140
 Iteration  3 RMS(Cart)=  0.00255772 RMS(Int)=  0.00062680
 Iteration  4 RMS(Cart)=  0.00000852 RMS(Int)=  0.00062679
 Iteration  5 RMS(Cart)=  0.00000003 RMS(Int)=  0.00062679
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89471   0.00003  -0.00044  -0.00034  -0.00078   2.89393
    R2        2.07215  -0.00001   0.00007  -0.00012  -0.00005   2.07209
    R3        2.07353  -0.00003   0.00029   0.00046   0.00075   2.07427
    R4        2.07208   0.00004   0.00011  -0.00011   0.00000   2.07208
    R5        2.89419   0.00004   0.00058   0.00021   0.00079   2.89498
    R6        2.82800   0.00007  -0.00029   0.00028  -0.00001   2.82799
    R7        2.13110   0.00003  -0.00007  -0.00018  -0.00025   2.13085
    R8        2.07208   0.00003   0.00015  -0.00017  -0.00002   2.07206
    R9        2.07334   0.00004  -0.00042   0.00009  -0.00033   2.07301
   R10        2.07225   0.00001   0.00000  -0.00015  -0.00015   2.07210
   R11        2.47942   0.00009  -0.00018   0.00009  -0.00009   2.47933
   R12        3.36995   0.00003  -0.00041   0.00011  -0.00030   3.36965
   R13        2.68273  -0.00012   0.00062   0.00009   0.00071   2.68344
   R14        2.84114   0.00022  -0.00261   0.00068  -0.00193   2.83921
   R15        2.58022   0.00013  -0.00029   0.00002  -0.00026   2.57996
   R16        2.80242  -0.00003   0.00086   0.00177   0.00263   2.80504
   R17        2.11041  -0.00005  -0.00016   0.00004  -0.00012   2.11029
   R18        2.12041   0.00001  -0.00040   0.00007  -0.00033   2.12008
   R19        2.81262  -0.00005   0.00120   0.00100   0.00221   2.81483
   R20        2.68363  -0.00016   0.00159   0.00194   0.00353   2.68716
   R21        2.08320  -0.00001   0.00039  -0.00030   0.00009   2.08329
   R22        2.09334   0.00006  -0.00052   0.00004  -0.00047   2.09287
   R23        2.08198   0.00008  -0.00080   0.00022  -0.00058   2.08141
   R24        2.31564   0.00015  -0.00072   0.00018  -0.00055   2.31509
   R25        2.69337   0.00002   0.00245  -0.00174   0.00071   2.69408
   R26        2.80451  -0.00006   0.00236  -0.00540  -0.00304   2.80148
   R27        1.94520  -0.00031   0.00113  -0.00056   0.00057   1.94577
   R28        2.91246   0.00102  -0.00023   0.00031   0.00008   2.91255
   R29        2.94212   0.00013  -0.00114  -0.00031  -0.00145   2.94067
   R30        2.13602  -0.00003  -0.00005  -0.00004  -0.00009   2.13593
   R31        2.31823  -0.00049   0.00109  -0.00005   0.00104   2.31927
   R32        2.62062   0.00047  -0.00221   0.00049  -0.00172   2.61891
   R33        2.81209   0.00086   0.00121  -0.00048   0.00073   2.81282
   R34        1.92457  -0.00004  -0.00035   0.00010  -0.00025   1.92432
   R35        2.92190  -0.00007   0.00229  -0.00022   0.00208   2.92398
   R36        2.91386   0.00065  -0.00354  -0.00134  -0.00488   2.90898
   R37        2.13426   0.00002  -0.00037  -0.00060  -0.00097   2.13330
   R38        2.84121   0.00008  -0.00038   0.00012  -0.00027   2.84094
   R39        2.10380  -0.00006   0.00102  -0.00044   0.00057   2.10438
   R40        2.09718   0.00000  -0.00014   0.00028   0.00014   2.09732
   R41        2.65322   0.00004   0.00003  -0.00011  -0.00008   2.65315
   R42        2.65234   0.00001   0.00037  -0.00006   0.00031   2.65264
   R43        2.64030   0.00001   0.00034   0.00007   0.00041   2.64071
   R44        2.05932   0.00003  -0.00022  -0.00007  -0.00028   2.05904
   R45        2.64255   0.00004  -0.00048   0.00011  -0.00037   2.64218
   R46        2.05898  -0.00001   0.00014   0.00001   0.00015   2.05913
   R47        2.64257   0.00001   0.00029   0.00008   0.00036   2.64293
   R48        2.05598   0.00000   0.00011   0.00009   0.00020   2.05618
   R49        2.64082   0.00000   0.00000  -0.00003  -0.00003   2.64079
   R50        2.05825  -0.00001   0.00021   0.00009   0.00030   2.05856
   R51        2.05512   0.00001  -0.00007   0.00009   0.00002   2.05514
   R52        2.89673   0.00002  -0.00386  -0.00011  -0.00397   2.89275
   R53        2.10331  -0.00012  -0.00057  -0.00114  -0.00170   2.10160
   R54        2.09271  -0.00015   0.00284   0.00038   0.00321   2.09592
   R55        2.72882  -0.00051   0.00176   0.00031   0.00207   2.73089
   R56        2.95066   0.00005   0.00215   0.00062   0.00277   2.95343
   R57        2.10806  -0.00006  -0.00106  -0.00055  -0.00162   2.10644
   R58        1.88135   0.00055   0.00282   0.00013   0.00295   1.88430
   R59        2.90492   0.00010  -0.00362   0.00090  -0.00272   2.90220
   R60        2.81491  -0.00090   0.00221   0.00309   0.00530   2.82021
   R61        2.12624   0.00013  -0.00126   0.00114  -0.00012   2.12612
   R62        2.84192  -0.00015   0.00089   0.00100   0.00188   2.84381
   R63        2.11201   0.00027  -0.00352   0.00117  -0.00234   2.10966
   R64        2.09815  -0.00013   0.00194  -0.00136   0.00058   2.09874
   R65        2.65157  -0.00001   0.00003   0.00060   0.00063   2.65221
   R66        2.65181  -0.00002  -0.00061  -0.00007  -0.00068   2.65113
   R67        2.63924   0.00004  -0.00081   0.00011  -0.00069   2.63855
   R68        2.06423  -0.00015   0.00146  -0.00016   0.00131   2.06554
   R69        2.64368   0.00000   0.00072   0.00004   0.00075   2.64443
   R70        2.05763  -0.00003   0.00021  -0.00017   0.00004   2.05767
   R71        2.64231   0.00006  -0.00083   0.00009  -0.00074   2.64157
   R72        2.05510  -0.00001  -0.00006  -0.00004  -0.00010   2.05500
   R73        2.64133  -0.00004   0.00119  -0.00007   0.00112   2.64246
   R74        2.05691   0.00000  -0.00033  -0.00005  -0.00038   2.05653
   R75        2.05365  -0.00001  -0.00028  -0.00019  -0.00047   2.05317
   R76        2.61883  -0.00244   0.00825   0.00884   0.01710   2.63593
   R77        1.93911  -0.00113   0.00818   0.00552   0.01370   1.95282
   R78        2.29374   0.00016  -0.00175  -0.00032  -0.00208   2.29167
   R79        2.64777   0.00004  -0.00170  -0.00359  -0.00529   2.64248
   R80        2.75422   0.00032   0.00069   0.00039   0.00107   2.75530
   R81        2.79435  -0.00011  -0.00062   0.00051  -0.00011   2.79424
   R82        2.09936   0.00001  -0.00022  -0.00001  -0.00023   2.09913
   R83        2.09767  -0.00005  -0.00078  -0.00080  -0.00157   2.09610
   R84        2.58997   0.00005  -0.00030   0.00107   0.00078   2.59075
   R85        3.28768  -0.00001   0.00060  -0.00048   0.00012   3.28780
   R86        2.66327  -0.00010   0.00068  -0.00060   0.00008   2.66335
   R87        2.05294   0.00005  -0.00053  -0.00013  -0.00066   2.05229
   R88        2.48258   0.00016   0.00092   0.00133   0.00224   2.48483
   R89        3.34079  -0.00030  -0.00222  -0.00243  -0.00466   3.33614
   R90        2.04747   0.00000   0.00018  -0.00051  -0.00033   2.04714
   R91        2.88925  -0.00029  -0.00239  -0.00193  -0.00432   2.88492
   R92        2.89203   0.00006  -0.00132   0.00204   0.00072   2.89275
   R93        2.12124   0.00013  -0.00140  -0.00027  -0.00167   2.11957
   R94        2.07543  -0.00046  -0.00113   0.00038  -0.00076   2.07467
   R95        2.08072   0.00039  -0.00013   0.00134   0.00122   2.08194
   R96        2.07456  -0.00016  -0.00066  -0.00095  -0.00161   2.07295
   R97        2.07398  -0.00005   0.00012   0.00002   0.00014   2.07412
   R98        2.08067   0.00001   0.00026   0.00023   0.00049   2.08116
   R99        2.06885   0.00004  -0.00101   0.00021  -0.00080   2.06805
   R100       3.27924  -0.00004  -0.00022   0.00040   0.00019   3.27942
   R101       2.04061   0.00008   0.00007  -0.00056  -0.00048   2.04013
    A1        1.93507  -0.00004   0.00059   0.00010   0.00069   1.93576
    A2        1.94494   0.00002   0.00026   0.00014   0.00039   1.94533
    A3        1.96111   0.00003   0.00064   0.00020   0.00084   1.96194
    A4        1.87398   0.00000   0.00025  -0.00010   0.00015   1.87413
    A5        1.86944   0.00000  -0.00063   0.00025  -0.00039   1.86905
    A6        1.87509  -0.00001  -0.00120  -0.00060  -0.00180   1.87329
    A7        1.95115   0.00000  -0.00007   0.00028   0.00021   1.95136
    A8        1.92481   0.00001   0.00152   0.00088   0.00239   1.92720
    A9        1.88898   0.00001  -0.00134   0.00014  -0.00120   1.88777
   A10        1.92765  -0.00001  -0.00129  -0.00100  -0.00229   1.92536
   A11        1.88927  -0.00001   0.00042  -0.00013   0.00030   1.88957
   A12        1.87980  -0.00001   0.00076  -0.00018   0.00059   1.88038
   A13        1.96122   0.00006  -0.00127  -0.00005  -0.00132   1.95989
   A14        1.94585   0.00000   0.00019  -0.00052  -0.00033   1.94552
   A15        1.93463  -0.00002   0.00022  -0.00017   0.00005   1.93468
   A16        1.87564  -0.00003   0.00049   0.00001   0.00049   1.87614
   A17        1.86882  -0.00002   0.00011   0.00052   0.00063   1.86946
   A18        1.87341   0.00000   0.00033   0.00027   0.00060   1.87401
   A19        2.20784   0.00002   0.00041  -0.00031   0.00010   2.20794
   A20        2.11824  -0.00002  -0.00071   0.00033  -0.00037   2.11787
   A21        1.95710  -0.00001   0.00028  -0.00002   0.00026   1.95736
   A22        1.95976   0.00001  -0.00084   0.00002  -0.00082   1.95894
   A23        2.03996   0.00004   0.00194  -0.00104   0.00090   2.04086
   A24        2.01196  -0.00001   0.00084   0.00011   0.00095   2.01291
   A25        2.23121  -0.00004  -0.00276   0.00092  -0.00185   2.22937
   A26        1.99212   0.00006  -0.00140   0.00143   0.00002   1.99215
   A27        1.91730  -0.00002  -0.00291  -0.00092  -0.00383   1.91347
   A28        1.91779  -0.00005   0.00534  -0.00127   0.00407   1.92187
   A29        1.91419  -0.00001  -0.00072   0.00066  -0.00008   1.91411
   A30        1.87515   0.00005  -0.00262   0.00002  -0.00259   1.87255
   A31        1.84081  -0.00004   0.00271  -0.00002   0.00270   1.84351
   A32        1.99325  -0.00004   0.00030  -0.00081  -0.00062   1.99263
   A33        2.12433   0.00009  -0.00417  -0.00153  -0.00578   2.11856
   A34        2.01480  -0.00002  -0.00305  -0.00198  -0.00512   2.00968
   A35        1.89870   0.00003  -0.00003   0.00037   0.00034   1.89905
   A36        1.92094   0.00001  -0.00171  -0.00082  -0.00254   1.91840
   A37        1.96484   0.00005   0.00031   0.00128   0.00159   1.96644
   A38        1.88589  -0.00001  -0.00003   0.00006   0.00002   1.88591
   A39        1.90209  -0.00004   0.00002  -0.00047  -0.00045   1.90164
   A40        1.88975  -0.00005   0.00145  -0.00047   0.00098   1.89073
   A41        2.11941  -0.00001  -0.00058   0.00070   0.00016   2.11957
   A42        2.05535   0.00010  -0.00135   0.00092  -0.00039   2.05496
   A43        2.10802  -0.00008   0.00187  -0.00165   0.00026   2.10828
   A44        2.03207   0.00026  -0.00455   0.00076  -0.00387   2.02820
   A45        2.07181  -0.00009  -0.00405   0.00389  -0.00025   2.07155
   A46        1.97396  -0.00017  -0.00253   0.00157  -0.00104   1.97292
   A47        1.89286  -0.00044   0.00528  -0.00050   0.00480   1.89765
   A48        1.90811  -0.00044   0.00419  -0.00150   0.00272   1.91083
   A49        1.88961   0.00030  -0.00319  -0.00155  -0.00474   1.88487
   A50        1.94492   0.00171  -0.00600  -0.00104  -0.00705   1.93787
   A51        1.93181  -0.00071  -0.00102   0.00152   0.00051   1.93232
   A52        1.89567  -0.00045   0.00083   0.00299   0.00382   1.89948
   A53        2.13032   0.00139  -0.00115   0.00163   0.00047   2.13079
   A54        2.03315  -0.00237  -0.00027   0.00125   0.00098   2.03414
   A55        2.11927   0.00095   0.00119  -0.00232  -0.00114   2.11813
   A56        2.10912   0.00362   0.00091   0.00049   0.00130   2.11042
   A57        2.11995  -0.00167  -0.00136   0.00192   0.00046   2.12040
   A58        2.03558  -0.00166   0.00234   0.00043   0.00267   2.03825
   A59        1.90793  -0.00163  -0.00356  -0.00055  -0.00411   1.90382
   A60        1.93562   0.00273   0.00179  -0.00017   0.00161   1.93723
   A61        1.87556  -0.00005  -0.00127  -0.00018  -0.00144   1.87412
   A62        1.95498  -0.00142   0.00128   0.00001   0.00127   1.95625
   A63        1.88631   0.00052   0.00060   0.00060   0.00121   1.88752
   A64        1.90107  -0.00013   0.00107   0.00031   0.00137   1.90243
   A65        1.99393   0.00001   0.00069   0.00022   0.00091   1.99484
   A66        1.89467   0.00002  -0.00147   0.00036  -0.00111   1.89356
   A67        1.89894   0.00000   0.00091   0.00015   0.00106   1.90000
   A68        1.91773   0.00000   0.00018  -0.00035  -0.00017   1.91756
   A69        1.92528  -0.00003   0.00103  -0.00022   0.00081   1.92609
   A70        1.82545   0.00000  -0.00158  -0.00019  -0.00176   1.82369
   A71        2.09508   0.00002  -0.00061  -0.00019  -0.00081   2.09428
   A72        2.10276   0.00000   0.00068   0.00017   0.00085   2.10361
   A73        2.08531  -0.00002  -0.00007   0.00003  -0.00005   2.08527
   A74        2.09693   0.00001  -0.00009   0.00004  -0.00004   2.09689
   A75        2.09683  -0.00001   0.00062   0.00000   0.00062   2.09745
   A76        2.08935   0.00000  -0.00054  -0.00005  -0.00059   2.08876
   A77        2.09872  -0.00001   0.00022  -0.00007   0.00015   2.09887
   A78        2.09057   0.00000  -0.00018   0.00004  -0.00014   2.09043
   A79        2.09389   0.00001  -0.00004   0.00003  -0.00001   2.09388
   A80        2.08974   0.00000  -0.00011  -0.00002  -0.00012   2.08962
   A81        2.09678  -0.00001   0.00050   0.00000   0.00050   2.09728
   A82        2.09665   0.00001  -0.00039   0.00001  -0.00038   2.09627
   A83        2.09917   0.00000   0.00010  -0.00001   0.00009   2.09926
   A84        2.09290  -0.00001   0.00011  -0.00005   0.00007   2.09296
   A85        2.09111   0.00001  -0.00022   0.00006  -0.00015   2.09096
   A86        2.09644   0.00001  -0.00006   0.00003  -0.00004   2.09641
   A87        2.09752  -0.00001   0.00002   0.00012   0.00015   2.09767
   A88        2.08921  -0.00001   0.00003  -0.00015  -0.00012   2.08909
   A89        1.95794   0.00352   0.00216   0.00306   0.00521   1.96316
   A90        1.92586  -0.00105   0.00314  -0.00039   0.00273   1.92858
   A91        1.90636  -0.00107  -0.00115  -0.00092  -0.00205   1.90431
   A92        1.89394  -0.00047   0.00173   0.00194   0.00365   1.89759
   A93        1.93534  -0.00171  -0.00408  -0.00350  -0.00756   1.92777
   A94        1.84087   0.00056  -0.00203  -0.00042  -0.00245   1.83842
   A95        1.85358   0.00071   0.01497   0.01301   0.02795   1.88152
   A96        1.96418  -0.00244   0.00079  -0.00010   0.00077   1.96495
   A97        1.95790   0.00057  -0.00166  -0.00154  -0.00321   1.95470
   A98        1.82971   0.00036  -0.01489  -0.01166  -0.02655   1.80316
   A99        1.90903  -0.00016  -0.00093  -0.00303  -0.00403   1.90500
   A100       1.94203   0.00098   0.00141   0.00299   0.00435   1.94639
   A101       1.92234  -0.00007  -0.00210  -0.00027  -0.00237   1.91997
   A102       1.93773  -0.00034   0.00015   0.00149   0.00163   1.93936
   A103       1.90019   0.00256   0.00108   0.00445   0.00555   1.90574
   A104       1.90116  -0.00098   0.00289  -0.00095   0.00195   1.90311
   A105       1.96683  -0.00177   0.00018   0.00251   0.00266   1.96949
   A106       1.91509   0.00079  -0.00149  -0.00181  -0.00331   1.91177
   A107       1.83947  -0.00025  -0.00282  -0.00614  -0.00897   1.83050
   A108       1.95165  -0.00010  -0.00122  -0.00135  -0.00258   1.94907
   A109       1.92075  -0.00003   0.00184   0.00328   0.00512   1.92587
   A110       1.91263   0.00012  -0.00452  -0.00065  -0.00519   1.90744
   A111       1.92421  -0.00003  -0.00297   0.00033  -0.00264   1.92157
   A112       1.92123   0.00008   0.00035   0.00005   0.00039   1.92162
   A113       1.82954  -0.00004   0.00700  -0.00165   0.00535   1.83489
   A114       2.09420  -0.00029   0.00052   0.00018   0.00070   2.09490
   A115       2.09940   0.00025  -0.00108  -0.00011  -0.00119   2.09822
   A116       2.08958   0.00004   0.00056  -0.00008   0.00048   2.09006
   A117       2.09474   0.00001  -0.00028  -0.00008  -0.00036   2.09438
   A118       2.08835  -0.00002  -0.00209   0.00022  -0.00187   2.08648
   A119       2.10009   0.00001   0.00236  -0.00014   0.00222   2.10230
   A120       2.09846  -0.00004   0.00022  -0.00003   0.00019   2.09865
   A121       2.09100   0.00004  -0.00007  -0.00001  -0.00008   2.09092
   A122       2.09372   0.00000  -0.00015   0.00004  -0.00011   2.09361
   A123       2.09105   0.00001  -0.00003   0.00007   0.00004   2.09108
   A124       2.09596  -0.00002  -0.00028   0.00001  -0.00027   2.09569
   A125       2.09618   0.00001   0.00031  -0.00008   0.00023   2.09642
   A126       2.09864   0.00002  -0.00004   0.00001  -0.00002   2.09861
   A127       2.09318  -0.00001   0.00055  -0.00012   0.00043   2.09361
   A128       2.09137  -0.00001  -0.00051   0.00011  -0.00040   2.09096
   A129       2.09390  -0.00003  -0.00042   0.00010  -0.00032   2.09358
   A130       2.09901  -0.00003   0.00199  -0.00041   0.00158   2.10060
   A131       2.09027   0.00006  -0.00157   0.00031  -0.00126   2.08901
   A132       2.14618   0.00031  -0.02800  -0.01097  -0.04618   2.10001
   A133       2.00976   0.00010  -0.03252  -0.01806  -0.05893   1.95082
   A134       2.06599  -0.00017  -0.02761  -0.01734  -0.05361   2.01238
   A135       2.27455  -0.00052  -0.00130  -0.00123  -0.00252   2.27203
   A136       1.87331   0.00049   0.00037   0.00058   0.00094   1.87426
   A137       2.13397  -0.00010  -0.00023  -0.00048  -0.00071   2.13326
   A138       2.02686  -0.00037   0.00138   0.00278   0.00416   2.03102
   A139       1.89606   0.00252  -0.00363   0.00126  -0.00237   1.89369
   A140       1.77065  -0.00067   0.00016  -0.00081  -0.00064   1.77000
   A141       1.90961  -0.00103   0.00119  -0.00188  -0.00069   1.90892
   A142       1.96461  -0.00067   0.00343   0.00147   0.00490   1.96951
   A143       1.98677  -0.00034   0.00188   0.00010   0.00197   1.98874
   A144       1.92305   0.00019  -0.00330  -0.00032  -0.00363   1.91943
   A145       2.25150   0.00004   0.00276   0.00103   0.00375   2.25525
   A146       2.12112  -0.00004  -0.00300  -0.00097  -0.00400   2.11711
   A147       1.91033   0.00000  -0.00002  -0.00008  -0.00012   1.91021
   A148       2.01364  -0.00009  -0.00036   0.00000  -0.00035   2.01329
   A149       2.21060   0.00004   0.00202   0.00066   0.00267   2.21327
   A150       2.05894   0.00005  -0.00167  -0.00065  -0.00233   2.05662
   A151       1.95386   0.00007  -0.00029  -0.00092  -0.00121   1.95265
   A152       1.97011  -0.00004   0.00032   0.00098   0.00130   1.97140
   A153       2.19016  -0.00001  -0.00031  -0.00108  -0.00138   2.18878
   A154       2.12292   0.00006  -0.00003   0.00011   0.00009   2.12300
   A155       1.57677   0.00006   0.00024   0.00012   0.00037   1.57714
   A156       1.96733   0.00038  -0.00122  -0.00302  -0.00424   1.96309
   A157       1.91846  -0.00053   0.00105   0.00191   0.00293   1.92139
   A158       1.85547   0.00010   0.00297  -0.00096   0.00199   1.85745
   A159       1.93841   0.00051  -0.00476   0.00160  -0.00317   1.93524
   A160       1.88898  -0.00062   0.00217  -0.00070   0.00149   1.89046
   A161       1.89165   0.00013   0.00027   0.00116   0.00141   1.89306
   A162       1.96067  -0.00032   0.00354  -0.00457  -0.00100   1.95968
   A163       1.96399   0.00055   0.00456  -0.00148   0.00309   1.96708
   A164       1.94015   0.00036  -0.00669   0.00175  -0.00493   1.93521
   A165       1.85639  -0.00013  -0.00905   0.00369  -0.00533   1.85106
   A166       1.86833  -0.00063   0.02013  -0.00449   0.01567   1.88400
   A167       1.86830   0.00012  -0.01256   0.00543  -0.00716   1.86114
   A168       1.93274   0.00002  -0.00145   0.00034  -0.00110   1.93164
   A169       1.96536   0.00013  -0.00009   0.00164   0.00156   1.96692
   A170       1.95774  -0.00004   0.00104   0.00154   0.00258   1.96032
   A171       1.85540  -0.00007   0.00195  -0.00244  -0.00049   1.85492
   A172       1.86392   0.00001   0.00152  -0.00192  -0.00041   1.86351
   A173       1.88284  -0.00007  -0.00290   0.00046  -0.00243   1.88041
   A174       1.91543   0.00001  -0.00070  -0.00012  -0.00082   1.91460
   A175       2.24146   0.00002  -0.00181   0.00000  -0.00182   2.23964
   A176       2.12629  -0.00003   0.00249   0.00014   0.00261   2.12890
   A177       1.58051  -0.00001   0.00038   0.00003   0.00041   1.58093
    D1        1.07459   0.00001  -0.00342   0.00914   0.00573   1.08032
    D2       -3.05680   0.00001  -0.00403   0.00868   0.00465  -3.05215
    D3       -1.00454   0.00001  -0.00304   0.00905   0.00601  -0.99854
    D4       -3.12229   0.00000  -0.00253   0.00917   0.00664  -3.11565
    D5       -0.97049   0.00000  -0.00315   0.00871   0.00556  -0.96493
    D6        1.08176   0.00000  -0.00216   0.00907   0.00692   1.08868
    D7       -1.01677   0.00002  -0.00345   0.00863   0.00518  -1.01158
    D8        1.13503   0.00002  -0.00407   0.00817   0.00410   1.13913
    D9       -3.09590   0.00002  -0.00308   0.00853   0.00546  -3.09044
   D10        0.99809   0.00000  -0.00777   0.01243   0.00467   1.00276
   D11        3.10505   0.00000  -0.00790   0.01204   0.00414   3.10919
   D12       -1.09224  -0.00001  -0.00720   0.01192   0.00472  -1.08753
   D13       -1.15209  -0.00001  -0.00874   0.01183   0.00309  -1.14900
   D14        0.95486  -0.00001  -0.00887   0.01143   0.00256   0.95742
   D15        3.04076  -0.00002  -0.00818   0.01132   0.00314   3.04390
   D16        3.07705   0.00001  -0.00918   0.01269   0.00350   3.08056
   D17       -1.09918   0.00001  -0.00931   0.01229   0.00298  -1.09620
   D18        0.98672   0.00000  -0.00862   0.01217   0.00355   0.99027
   D19        2.03235  -0.00001   0.03446   0.02277   0.05723   2.08958
   D20       -1.11063   0.00004   0.03047   0.02429   0.05477  -1.05586
   D21       -2.08541   0.00000   0.03454   0.02303   0.05757  -2.02785
   D22        1.05479   0.00004   0.03054   0.02456   0.05511   1.10989
   D23       -0.02556  -0.00002   0.03478   0.02222   0.05699   0.03143
   D24        3.11464   0.00002   0.03078   0.02374   0.05453  -3.11401
   D25       -3.13891  -0.00002  -0.00048   0.00051   0.00002  -3.13888
   D26        0.00397  -0.00006   0.00319  -0.00089   0.00229   0.00626
   D27        3.13773   0.00002  -0.00025   0.00035   0.00010   3.13782
   D28       -0.00507   0.00006  -0.00372   0.00167  -0.00204  -0.00711
   D29        3.13079   0.00002   0.00177  -0.00214  -0.00035   3.13044
   D30       -0.00033   0.00004  -0.00078  -0.00067  -0.00145  -0.00178
   D31        2.16192   0.00001   0.01768   0.02820   0.04588   2.20779
   D32       -1.96321   0.00003   0.01342   0.02940   0.04282  -1.92039
   D33        0.05446  -0.00006   0.01810   0.02812   0.04621   0.10067
   D34       -0.99167  -0.00001   0.02064   0.02651   0.04715  -0.94451
   D35        1.16639   0.00001   0.01638   0.02770   0.04409   1.21048
   D36       -3.09913  -0.00008   0.02106   0.02643   0.04749  -3.05164
   D37       -0.00352   0.00000  -0.00205   0.00192  -0.00013  -0.00365
   D38        3.14126  -0.00001  -0.00687  -0.00586  -0.01268   3.12858
   D39       -3.13328   0.00003  -0.00499   0.00360  -0.00139  -3.13467
   D40        0.01150   0.00001  -0.00980  -0.00418  -0.01394  -0.00244
   D41       -1.22542  -0.00011   0.03015   0.00814   0.03829  -1.18713
   D42        1.32706  -0.00008   0.01696  -0.00009   0.01687   1.34393
   D43        2.89804  -0.00013   0.03556   0.00780   0.04337   2.94141
   D44       -0.83267  -0.00009   0.02238  -0.00043   0.02195  -0.81072
   D45        0.90561  -0.00010   0.03414   0.00748   0.04161   0.94723
   D46       -2.82509  -0.00006   0.02095  -0.00075   0.02020  -2.80490
   D47       -1.16964   0.00005   0.02461   0.02095   0.04556  -1.12408
   D48        3.05037   0.00004   0.02567   0.02114   0.04680   3.09717
   D49        0.94046   0.00006   0.02481   0.02144   0.04625   0.98671
   D50        2.52279  -0.00002   0.03742   0.02851   0.06594   2.58874
   D51        0.45962  -0.00003   0.03848   0.02870   0.06718   0.52680
   D52       -1.65029  -0.00002   0.03763   0.02901   0.06664  -1.58365
   D53       -2.87982   0.00004  -0.00954   0.01704   0.00745  -2.87237
   D54        0.29195  -0.00027  -0.01151   0.01789   0.00635   0.29830
   D55       -0.33405   0.00008  -0.02188   0.00908  -0.01277  -0.34682
   D56        2.83772  -0.00023  -0.02385   0.00993  -0.01387   2.82385
   D57        2.80483  -0.00001   0.01328   0.00190   0.01519   2.82002
   D58        0.35254   0.00006   0.03084  -0.00775   0.02308   0.37562
   D59       -0.30679  -0.00032   0.01139   0.00270   0.01410  -0.29269
   D60       -2.75908  -0.00025   0.02895  -0.00694   0.02199  -2.73710
   D61       -1.73452   0.00078   0.04373   0.02019   0.06392  -1.67060
   D62        2.42481  -0.00077   0.04525   0.02268   0.06791   2.49272
   D63        0.36250  -0.00015   0.04372   0.02083   0.06454   0.42704
   D64        0.75548   0.00073   0.02661   0.03023   0.05686   0.81234
   D65       -1.36838  -0.00082   0.02814   0.03272   0.06086  -1.30753
   D66        2.85250  -0.00020   0.02660   0.03087   0.05748   2.90998
   D67       -0.60438   0.00011  -0.02517  -0.01568  -0.04083  -0.64521
   D68        2.50563  -0.00117  -0.03046   0.00430  -0.02615   2.47948
   D69        1.49675   0.00033  -0.02021  -0.01850  -0.03872   1.45804
   D70       -1.67642  -0.00095  -0.02550   0.00148  -0.02404  -1.70046
   D71       -2.67490   0.00042  -0.02392  -0.01437  -0.03829  -2.71319
   D72        0.43511  -0.00086  -0.02922   0.00561  -0.02361   0.41150
   D73        1.17705  -0.00054  -0.02751  -0.03033  -0.05785   1.11920
   D74       -2.93351   0.00001  -0.03385  -0.02898  -0.06285  -2.99636
   D75       -0.88972  -0.00006  -0.03139  -0.02717  -0.05855  -0.94827
   D76       -0.91509  -0.00078  -0.03307  -0.02807  -0.06115  -0.97623
   D77        1.25754  -0.00024  -0.03941  -0.02673  -0.06614   1.19139
   D78       -2.98187  -0.00030  -0.03694  -0.02492  -0.06184  -3.04371
   D79       -3.04761  -0.00069  -0.02848  -0.03132  -0.05980  -3.10742
   D80       -0.87499  -0.00014  -0.03482  -0.02997  -0.06480  -0.93979
   D81        1.16879  -0.00021  -0.03236  -0.02816  -0.06050   1.10829
   D82        3.11364   0.00223   0.01532  -0.00257   0.01272   3.12636
   D83        0.18475   0.00076   0.00422  -0.01865  -0.01441   0.17034
   D84       -0.05932   0.00097   0.00999   0.01735   0.02731  -0.03201
   D85       -2.98821  -0.00050  -0.00111   0.00127   0.00019  -2.98802
   D86        2.46479  -0.00076   0.01697   0.01020   0.02713   2.49191
   D87       -1.65441  -0.00185   0.01728   0.00971   0.02697  -1.62744
   D88        0.42167  -0.00048   0.01879   0.00988   0.02866   0.45033
   D89       -0.87962   0.00060   0.02705   0.02571   0.05277  -0.82685
   D90        1.28437  -0.00049   0.02736   0.02522   0.05261   1.33698
   D91       -2.92274   0.00088   0.02888   0.02539   0.05431  -2.86843
   D92        1.08267   0.00067   0.00245  -0.00393  -0.00148   1.08119
   D93       -1.06396   0.00066   0.00285  -0.00390  -0.00105  -1.06501
   D94       -3.04081   0.00064   0.00500  -0.00394   0.00105  -3.03976
   D95       -1.06989  -0.00067   0.00185  -0.00332  -0.00147  -1.07137
   D96        3.06667  -0.00069   0.00225  -0.00329  -0.00104   3.06563
   D97        1.08982  -0.00070   0.00439  -0.00334   0.00105   1.09087
   D98        3.11898   0.00002  -0.00065  -0.00410  -0.00474   3.11424
   D99        0.97236   0.00000  -0.00025  -0.00407  -0.00431   0.96805
   D100      -1.00449  -0.00001   0.00189  -0.00412  -0.00222  -1.00671
   D101       1.19497   0.00189   0.04543   0.03005   0.07549   1.27045
   D102      -0.91908   0.00083   0.03954   0.02576   0.06530  -0.85378
   D103      -2.93511   0.00135   0.04089   0.02702   0.06790  -2.86721
   D104      -2.95134   0.00074   0.04302   0.02922   0.07224  -2.87910
   D105       1.21780  -0.00032   0.03713   0.02493   0.06205   1.27986
   D106      -0.79823   0.00020   0.03848   0.02619   0.06466  -0.73357
   D107      -0.86568   0.00041   0.04526   0.03018   0.07545  -0.79023
   D108      -2.97972  -0.00065   0.03937   0.02589   0.06527  -2.91446
   D109       1.28743  -0.00013   0.04072   0.02715   0.06787   1.35530
   D110      -1.60420  -0.00003  -0.01381  -0.00339  -0.01720  -1.62139
   D111       1.54547  -0.00003  -0.01349  -0.00317  -0.01666   1.52881
   D112       0.52987  -0.00001  -0.01511  -0.00303  -0.01813   0.51174
   D113      -2.60365  -0.00001  -0.01479  -0.00280  -0.01759  -2.62124
   D114       2.53351  -0.00002  -0.01632  -0.00358  -0.01990   2.51361
   D115      -0.60001  -0.00002  -0.01600  -0.00336  -0.01936  -0.61937
   D116       3.13991   0.00000  -0.00037  -0.00035  -0.00072   3.13919
   D117      -0.01493   0.00000  -0.00076  -0.00112  -0.00189  -0.01682
   D118      -0.00968   0.00000  -0.00068  -0.00057  -0.00125  -0.01092
   D119       3.11867   0.00000  -0.00107  -0.00134  -0.00242   3.11626
   D120      -3.13997   0.00000   0.00055   0.00021   0.00075  -3.13921
   D121       0.00780  -0.00001   0.00177   0.00045   0.00222   0.01002
   D122       0.00965   0.00000   0.00087   0.00043   0.00130   0.01095
   D123      -3.12577  -0.00001   0.00209   0.00067   0.00276  -3.12300
   D124       0.00245   0.00000   0.00005   0.00029   0.00034   0.00279
   D125       3.14034   0.00000  -0.00004   0.00007   0.00003   3.14037
   D126      -3.12595   0.00000   0.00044   0.00106   0.00149  -3.12446
   D127       0.01194   0.00000   0.00035   0.00083   0.00118   0.01312
   D128       0.00485   0.00000   0.00038   0.00014   0.00052   0.00537
   D129      -3.14147   0.00000  -0.00020   0.00002  -0.00018   3.14154
   D130      -3.13303   0.00000   0.00047   0.00036   0.00084  -3.13220
   D131       0.00384   0.00000  -0.00011   0.00024   0.00013   0.00397
   D132      -0.00487   0.00000  -0.00019  -0.00028  -0.00047  -0.00535
   D133       3.13453   0.00000  -0.00049  -0.00039  -0.00088   3.13365
   D134       3.14144   0.00000   0.00039  -0.00016   0.00023  -3.14151
   D135      -0.00234   0.00000   0.00009  -0.00027  -0.00017  -0.00252
   D136      -0.00241   0.00000  -0.00044   0.00000  -0.00044  -0.00284
   D137       3.13304   0.00001  -0.00166  -0.00024  -0.00190   3.13114
   D138       3.14137   0.00000  -0.00014   0.00010  -0.00003   3.14134
   D139      -0.00636   0.00000  -0.00136  -0.00014  -0.00149  -0.00786
   D140      -1.68321  -0.00065   0.01384   0.01504   0.02884  -1.65436
   D141       2.60754  -0.00026   0.02247   0.02141   0.04387   2.65141
   D142       0.40153  -0.00007   0.02126   0.01871   0.03998   0.44151
   D143       0.44910   0.00001   0.02042   0.01790   0.03830   0.48739
   D144      -1.54334   0.00040   0.02905   0.02426   0.05332  -1.49002
   D145       2.53384   0.00059   0.02784   0.02156   0.04943   2.58327
   D146       2.46322  -0.00053   0.01672   0.01659   0.03329   2.49651
   D147       0.47079  -0.00014   0.02535   0.02296   0.04831   0.51910
   D148      -1.73522   0.00005   0.02414   0.02026   0.04442  -1.69080
   D149       2.16623   0.00082  -0.17940  -0.14599  -0.32533   1.84090
   D150      -2.03419  -0.00147  -0.17889  -0.14565  -0.32467  -2.35886
   D151       0.04982  -0.00020  -0.18582  -0.15011  -0.33587  -0.28605
   D152      -1.21182   0.00002  -0.00566  -0.00769  -0.01332  -1.22515
   D153       2.89632   0.00070  -0.00677  -0.01502  -0.02177   2.87455
   D154       0.89890   0.00015  -0.00553  -0.00962  -0.01514   0.88376
   D155       3.06443   0.00016  -0.01504  -0.01630  -0.03135   3.03308
   D156       0.88939   0.00084  -0.01614  -0.02363  -0.03979   0.84960
   D157      -1.10803   0.00029  -0.01491  -0.01823  -0.03316  -1.14120
   D158       1.00269  -0.00036  -0.00608  -0.00743  -0.01349   0.98920
   D159      -1.17235   0.00031  -0.00718  -0.01475  -0.02194  -1.19429
   D160       3.11341  -0.00024  -0.00595  -0.00936  -0.01531   3.09810
   D161       2.94763  -0.00079  -0.00668  -0.02345  -0.03011   2.91751
   D162      -1.19075  -0.00091  -0.01002  -0.02163  -0.03164  -1.22239
   D163       0.81235  -0.00091  -0.00315  -0.02214  -0.02529   0.78707
   D164      -1.19870   0.00103  -0.00496  -0.01475  -0.01972  -1.21842
   D165       0.94612   0.00090  -0.00831  -0.01292  -0.02125   0.92487
   D166       2.94921   0.00090  -0.00144  -0.01344  -0.01489   2.93432
   D167       0.84513   0.00014  -0.00938  -0.02204  -0.03142   0.81371
   D168       2.98995   0.00001  -0.01273  -0.02022  -0.03294   2.95700
   D169      -1.29014   0.00002  -0.00585  -0.02073  -0.02659  -1.31673
   D170       1.35596   0.00112  -0.03019  -0.04639  -0.07552   1.28044
   D171      -1.40991   0.00044   0.15294   0.09388   0.24579  -1.16412
   D172      -0.80186   0.00090  -0.03132  -0.05328  -0.08356  -0.88542
   D173       2.71545   0.00022   0.15181   0.08699   0.23775   2.95321
   D174      -2.89001   0.00108  -0.02778  -0.04855  -0.07530  -2.96531
   D175       0.62730   0.00040   0.15535   0.09172   0.24601   0.87332
   D176       1.74298  -0.00012  -0.04170  -0.02823  -0.06993   1.67305
   D177      -1.40214  -0.00011  -0.04148  -0.02960  -0.07109  -1.47323
   D178      -0.39986   0.00001  -0.04109  -0.03174  -0.07282  -0.47268
   D179       2.73820   0.00002  -0.04087  -0.03311  -0.07398   2.66422
   D180      -2.40986   0.00002  -0.04806  -0.02995  -0.07801  -2.48786
   D181       0.72821   0.00004  -0.04784  -0.03132  -0.07916   0.64904
   D182       3.13650   0.00000   0.00051  -0.00040   0.00012   3.13662
   D183      -0.00993   0.00001  -0.00197   0.00028  -0.00169  -0.01162
   D184      -0.00158  -0.00002   0.00030   0.00097   0.00127  -0.00031
   D185       3.13517  -0.00001  -0.00218   0.00164  -0.00053   3.13464
   D186      -3.13662   0.00000   0.00034   0.00054   0.00088  -3.13574
   D187       0.00373   0.00000   0.00121   0.00150   0.00271   0.00645
   D188       0.00145   0.00001   0.00056  -0.00083  -0.00027   0.00118
   D189      -3.14138   0.00002   0.00143   0.00013   0.00156  -3.13982
   D190       0.00048   0.00001  -0.00092  -0.00054  -0.00147  -0.00098
   D191       3.14141   0.00001  -0.00190  -0.00012  -0.00202   3.13939
   D192      -3.13623   0.00000   0.00158  -0.00122   0.00036  -3.13587
   D193       0.00469   0.00001   0.00061  -0.00081  -0.00019   0.00450
   D194       0.00074   0.00000   0.00068  -0.00002   0.00066   0.00140
   D195      -3.14122   0.00000  -0.00061   0.00043  -0.00018  -3.14140
   D196      -3.14018   0.00000   0.00166  -0.00044   0.00121  -3.13897
   D197       0.00104   0.00000   0.00036   0.00001   0.00037   0.00141
   D198      -0.00087  -0.00001   0.00019   0.00016   0.00035  -0.00052
   D199       3.14126  -0.00001  -0.00012   0.00000  -0.00012   3.14115
   D200       3.14109  -0.00001   0.00148  -0.00029   0.00119  -3.14090
   D201       0.00004  -0.00001   0.00118  -0.00045   0.00073   0.00077
   D202      -0.00023   0.00000  -0.00080   0.00027  -0.00054  -0.00076
   D203      -3.14059  -0.00001  -0.00167  -0.00069  -0.00236   3.14024
   D204       3.14083   0.00000  -0.00050   0.00043  -0.00007   3.14075
   D205       0.00046  -0.00001  -0.00137  -0.00053  -0.00189  -0.00143
   D206       0.30706   0.00040   0.15733   0.11859   0.27480   0.58186
   D207      -2.89051  -0.00227   0.14483   0.09517   0.23890  -2.65161
   D208       3.06156   0.00115  -0.03321  -0.02601  -0.05812   3.00344
   D209      -0.13602  -0.00151  -0.04572  -0.04943  -0.09402  -0.23004
   D210       3.03199   0.00316   0.03906   0.05036   0.08945   3.12144
   D211      -0.16008   0.00074   0.02779   0.02920   0.05696  -0.10312
   D212      -1.56153  -0.00046   0.01268   0.02852   0.04120  -1.52033
   D213       2.64852  -0.00042   0.01021   0.02673   0.03694   2.68546
   D214       0.61697   0.00011   0.01340   0.02824   0.04164   0.65861
   D215      -0.91883  -0.00028  -0.12379  -0.09293  -0.21672  -1.13554
   D216       2.19669   0.00002  -0.13812  -0.09428  -0.23239   1.96429
   D217       1.02775   0.00003  -0.12388  -0.09240  -0.21629   0.81146
   D218      -2.13992   0.00032  -0.13821  -0.09375  -0.23196  -2.37188
   D219      -3.05110  -0.00057  -0.12392  -0.09151  -0.21543   3.01666
   D220       0.06442  -0.00027  -0.13826  -0.09285  -0.23110  -0.16669
   D221       3.12164   0.00048  -0.00839  -0.00191  -0.01032   3.11132
   D222      -0.01833   0.00022  -0.01026  -0.00431  -0.01458  -0.03291
   D223       0.00362   0.00021   0.00462  -0.00068   0.00394   0.00756
   D224      -3.13635  -0.00005   0.00275  -0.00308  -0.00032  -3.13667
   D225      -3.12799  -0.00043   0.00546   0.00503   0.01046  -3.11752
   D226      -0.00789  -0.00018  -0.00629   0.00394  -0.00234  -0.01023
   D227       0.00478  -0.00012   0.00062  -0.00448  -0.00386   0.00092
   D228      -3.13828   0.00011   0.00231  -0.00230   0.00000  -3.13828
   D229      -0.01089  -0.00003  -0.00560   0.00745   0.00185  -0.00903
   D230       3.13173   0.00006   0.00211  -0.00280  -0.00069   3.13104
   D231       0.01108   0.00012   0.00701  -0.00673   0.00028   0.01136
   D232      -3.13149   0.00004  -0.00037   0.00308   0.00272  -3.12878
   D233      -0.86924  -0.00044  -0.10774  -0.05583  -0.16356  -1.03281
   D234       1.22537  -0.00045  -0.11360  -0.05537  -0.16898   1.05639
   D235      -2.96241   0.00034  -0.13131  -0.04819  -0.17949   3.14129
   D236      -3.03088  -0.00042  -0.10455  -0.05731  -0.16188   3.09043
   D237      -0.93626  -0.00042  -0.11041  -0.05686  -0.16729  -1.10355
   D238       1.15914   0.00036  -0.12813  -0.04967  -0.17780   0.98134
   D239       1.17782  -0.00049  -0.10343  -0.05923  -0.16265   1.01517
   D240      -3.01075  -0.00050  -0.10929  -0.05878  -0.16807   3.10437
   D241      -0.91535   0.00029  -0.12701  -0.05159  -0.17857  -1.09392
   D242       3.04616  -0.00018  -0.04880  -0.02296  -0.07175   2.97441
   D243      -1.16230  -0.00016  -0.04735  -0.02474  -0.07208  -1.23438
   D244       0.96566  -0.00019  -0.05041  -0.02177  -0.07219   0.89347
   D245      -1.04779   0.00029  -0.05304  -0.02430  -0.07735  -1.12514
   D246       1.02695   0.00031  -0.05160  -0.02608  -0.07769   0.94926
   D247      -3.12828   0.00029  -0.05466  -0.02312  -0.07779   3.07711
   D248       1.02509  -0.00009  -0.05304  -0.02350  -0.07653   0.94856
   D249       3.09982  -0.00007  -0.05160  -0.02528  -0.07687   3.02296
   D250      -1.05541  -0.00009  -0.05466  -0.02231  -0.07697  -1.13238
   D251       0.00467  -0.00003   0.00313  -0.00196   0.00115   0.00582
   D252      -3.13987  -0.00002   0.00746   0.00521   0.01275  -3.12711
         Item               Value     Threshold  Converged?
 Maximum Force            0.003624     0.000450     NO 
 RMS     Force            0.000571     0.000300     NO 
 Maximum Displacement     2.756364     0.001800     NO 
 RMS     Displacement     0.336004     0.001200     NO 
 Predicted change in Energy=-6.628818D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.230012   -2.637259    0.609822
      2          6           0       -9.138947   -1.382021   -0.262690
      3          6           0      -10.217329   -0.356577    0.101252
      4          6           0       -7.779031   -0.767157   -0.152634
      5          7           0       -6.925813   -0.579350   -1.131462
      6          6           0       -5.721571    0.026967   -0.685796
      7          6           0       -4.661998    0.277323   -1.721157
      8          7           0       -4.179404    1.680232   -1.769022
      9          6           0       -5.192127    2.657211   -2.257527
     10          6           0       -3.272621    2.185006   -0.796918
     11          8           0       -3.087467    3.388214   -0.659595
     12          7           0       -2.553963    1.241022   -0.006419
     13          6           0       -1.340791    1.748815    0.677761
     14          6           0       -0.110569    1.428527   -0.193692
     15          8           0       -0.018723    0.385285   -0.833607
     16          7           0        0.885450    2.391183   -0.236895
     17          6           0        2.124592    2.174408   -1.032579
     18          6           0        2.553028    3.514460   -1.676666
     19          6           0        2.888333    4.596523   -0.688330
     20          6           0        1.899521    5.506390   -0.281433
     21          6           0        2.207024    6.511628    0.639260
     22          6           0        3.500812    6.619902    1.158201
     23          6           0        4.490320    5.721004    0.747257
     24          6           0        4.188849    4.713665   -0.173202
     25          6           0        3.239972    1.567907   -0.162100
     26          6           0        2.983319    0.097467    0.177341
     27          8           0        2.330879    0.048819    1.465883
     28          6           0        4.304496   -0.703682    0.412432
     29          6           0        5.076028   -0.896286   -0.901440
     30          6           0        6.478682   -1.383120   -0.656058
     31          6           0        6.767855   -2.754855   -0.723106
     32          6           0        8.070687   -3.205327   -0.501193
     33          6           0        9.092224   -2.293469   -0.212721
     34          6           0        8.805363   -0.927029   -0.145171
     35          6           0        7.502583   -0.469187   -0.365316
     36          7           0        3.981924   -1.993996    1.089381
     37          6           0        3.370066   -3.027598    0.380178
     38          8           0        3.479722   -3.349687   -0.783812
     39          8           0        2.629667   -3.781583    1.295967
     40          6           0        1.882041   -4.909032    0.752091
     41          6           0        0.559320   -4.422761    0.304479
     42          6           0       -0.470285   -3.904495    1.046678
     43          7           0       -1.598633   -3.493310    0.309029
     44          6           0       -1.440190   -3.693142   -0.980916
     45         16           0        0.129637   -4.394613   -1.381222
     46          6           0       -1.219777    1.085346    2.080159
     47          6           0       -1.011315   -0.424615    1.995439
     48          6           0       -0.094774    1.747441    2.879711
     49          6           0       -5.666141    0.302967    0.650122
     50         16           0       -7.146290   -0.188860    1.410952
     51          1           0      -10.191199   -3.144957    0.465998
     52          1           0       -8.438895   -3.356733    0.362140
     53          1           0       -9.142221   -2.410452    1.679006
     54          1           0       -9.291301   -1.688906   -1.336974
     55          1           0      -10.168146   -0.057427    1.154993
     56          1           0      -10.126745    0.553508   -0.504493
     57          1           0      -11.219636   -0.766350   -0.071360
     58          1           0       -3.799675   -0.411186   -1.549650
     59          1           0       -5.052525    0.024051   -2.741938
     60          1           0       -5.434038    2.423386   -3.307362
     61          1           0       -4.775184    3.682596   -2.221542
     62          1           0       -6.119853    2.639472   -1.664090
     63          1           0       -2.444269    0.280727   -0.361380
     64          1           0       -1.456561    2.865227    0.811069
     65          1           0        0.877130    3.193677    0.389905
     66          1           0        1.870894    1.451170   -1.861412
     67          1           0        1.737276    3.858430   -2.352174
     68          1           0        3.413518    3.328769   -2.352571
     69          1           0        0.892376    5.440563   -0.691975
     70          1           0        1.435244    7.215271    0.950009
     71          1           0        3.738635    7.403227    1.874975
     72          1           0        5.501209    5.807105    1.143935
     73          1           0        4.967953    4.025870   -0.493611
     74          1           0        3.348517    2.139413    0.785746
     75          1           0        4.211179    1.681010   -0.685648
     76          1           0        2.333605   -0.398681   -0.580432
     77          1           0        1.363853   -0.165361    1.350746
     78          1           0        4.946976   -0.144483    1.147518
     79          1           0        4.534089   -1.608339   -1.568973
     80          1           0        5.097374    0.064255   -1.458527
     81          1           0        5.966281   -3.464551   -0.943416
     82          1           0        8.291015   -4.270465   -0.551969
     83          1           0       10.105976   -2.647338   -0.040532
     84          1           0        9.597910   -0.215860    0.079409
     85          1           0        7.289380    0.594713   -0.309373
     86          1           0        3.626363   -1.845419    2.048228
     87          1           0        1.818867   -5.578082    1.636558
     88          1           0        2.477822   -5.393952   -0.048058
     89          1           0       -0.499000   -3.785563    2.125788
     90          1           0       -2.172656   -3.465594   -1.745938
     91          1           0       -2.191017    1.278059    2.607043
     92          1           0       -1.832756   -0.929419    1.470346
     93          1           0       -0.090904   -0.697162    1.454758
     94          1           0       -0.929269   -0.864756    2.996871
     95          1           0       -0.109725    1.408318    3.923474
     96          1           0        0.905352    1.501672    2.489560
     97          1           0       -0.185854    2.837808    2.900605
     98          1           0       -4.856292    0.747371    1.208836
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0705780      0.0285894      0.0219360
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3573.3555911484 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.248736242003     A.U. after   21 cycles
             Convg  =    0.6725D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000167803   -0.000067202    0.000231078
      2        6           0.000155052    0.000120807    0.000051834
      3        6          -0.000121254    0.000018107    0.000172760
      4        6           0.000100646    0.000205232   -0.000274913
      5        7          -0.000305332   -0.000345739    0.000022827
      6        6           0.000657266    0.000408240   -0.000002042
      7        6          -0.000345508   -0.000474397   -0.001020720
      8        7           0.000275661   -0.001007585    0.000580609
      9        6          -0.001017468    0.000512200    0.000045109
     10        6           0.000046454    0.001816705   -0.000584951
     11        8           0.000423880   -0.000527719    0.000024578
     12        7           0.000072536   -0.000098722   -0.000443745
     13        6           0.000123553   -0.000695806   -0.000598711
     14        6          -0.000019351    0.001162771    0.000109832
     15        8          -0.000280951   -0.000629170   -0.000451922
     16        7          -0.000262734   -0.000003761    0.001168986
     17        6           0.001084472   -0.000587342   -0.001596732
     18        6           0.000139236    0.000790280    0.000064921
     19        6          -0.000173132   -0.000127019    0.000059945
     20        6          -0.000059459   -0.000251674    0.000055944
     21        6           0.000119420    0.000082144   -0.000024744
     22        6          -0.000215817   -0.000013495    0.000042861
     23        6          -0.000012912    0.000038025   -0.000008401
     24        6           0.000146019    0.000017427   -0.000066337
     25        6          -0.001241254   -0.001149421   -0.000258492
     26        6          -0.000902031    0.000064715    0.001439357
     27        8           0.000345765    0.000932663    0.000060047
     28        6           0.000616664    0.000342230   -0.000383437
     29        6          -0.000509027   -0.000884605   -0.000769551
     30        6           0.000212448    0.000071602   -0.000222887
     31        6           0.000489522    0.000163434   -0.000085870
     32        6          -0.000118241    0.000085783    0.000093932
     33        6           0.000015466    0.000116904    0.000083191
     34        6           0.000303223    0.000038474   -0.000112523
     35        6          -0.000441535   -0.000130682    0.000222397
     36        7           0.000739917   -0.001834855   -0.000377102
     37        6           0.000996195    0.001473430    0.000655194
     38        8          -0.000592013    0.000748796   -0.000142820
     39        8          -0.000709361    0.000160191   -0.000283886
     40        6           0.000486638   -0.000073651    0.000501044
     41        6          -0.000701925    0.000356144   -0.000178366
     42        6           0.000153112    0.000420617   -0.000002490
     43        7           0.000019215   -0.000385418   -0.000027912
     44        6          -0.000090083    0.000422645    0.000300839
     45       16           0.000086138   -0.000340862   -0.000091851
     46        6           0.000078464   -0.000560529   -0.000575912
     47        6          -0.002288226   -0.001018002    0.001609123
     48        6           0.000148369   -0.000314511   -0.000344099
     49        6          -0.000114342    0.000073048    0.000398371
     50       16          -0.000071549   -0.000277871    0.000254840
     51        1          -0.000034277    0.000005153   -0.000068887
     52        1           0.000072081    0.000014417   -0.000052170
     53        1           0.000085127   -0.000005234    0.000026723
     54        1          -0.000010711   -0.000016491   -0.000176180
     55        1           0.000060887   -0.000045480   -0.000043942
     56        1           0.000002809   -0.000037819   -0.000079599
     57        1          -0.000004432    0.000008946   -0.000006549
     58        1          -0.000204472    0.000378238   -0.000025355
     59        1           0.000202888    0.000065595    0.000342036
     60        1           0.000033742   -0.000057812    0.000081298
     61        1           0.000026383   -0.000115183    0.000075328
     62        1           0.000139918   -0.000039612    0.000081940
     63        1           0.000381997    0.000101144    0.000271997
     64        1          -0.000362989   -0.000364355    0.000263719
     65        1           0.000185777    0.000021205   -0.000569721
     66        1          -0.000164425    0.000167776   -0.000261004
     67        1          -0.000113247   -0.000034253    0.000026701
     68        1          -0.000031435   -0.000118672    0.000135232
     69        1           0.000097759    0.000091337   -0.000009423
     70        1          -0.000024125    0.000019998   -0.000014718
     71        1           0.000033797    0.000033661   -0.000002235
     72        1           0.000059774    0.000015961   -0.000009765
     73        1          -0.000001767    0.000001674    0.000059175
     74        1           0.000105320   -0.000027961   -0.000085648
     75        1           0.000239709   -0.000097413    0.000312001
     76        1           0.000075123    0.000143206    0.000243952
     77        1           0.000560392    0.000251111   -0.000048176
     78        1           0.000074724   -0.000662203    0.000123535
     79        1          -0.000018372    0.000587760   -0.000139069
     80        1          -0.000270777    0.000567511   -0.000063288
     81        1          -0.000139319   -0.000296901   -0.000038733
     82        1           0.000000792   -0.000053412   -0.000050218
     83        1           0.000004862    0.000031105   -0.000017521
     84        1          -0.000012529   -0.000025500    0.000008798
     85        1           0.000095606    0.000069155   -0.000008863
     86        1          -0.000094010   -0.000291927    0.000956329
     87        1           0.000264414   -0.000038672   -0.000195590
     88        1           0.000106943   -0.000028713   -0.000111758
     89        1          -0.000038128   -0.000170732   -0.000079495
     90        1          -0.000003648   -0.000243571   -0.000173330
     91        1           0.000420886    0.000111158    0.000067312
     92        1           0.000523422    0.000346671    0.001122691
     93        1          -0.000981286   -0.000159075   -0.001107638
     94        1           0.000986143    0.001236911    0.000154863
     95        1          -0.000161800    0.000007422   -0.000009457
     96        1           0.000180510    0.000019643   -0.000117938
     97        1           0.000175735   -0.000145482   -0.000020619
     98        1           0.000200206   -0.000062861   -0.000085946
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002288226 RMS     0.000457394

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.004855903 RMS     0.000582324
 Search for a local minimum.
 Step number  36 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   35   36
 DE= -1.12D-03 DEPred=-6.63D-04 R= 1.69D+00
 SS=  1.41D+00  RLast= 1.24D+00 DXNew= 2.1056D+00 3.7319D+00
 Trust test= 1.69D+00 RLast= 1.24D+00 DXMaxT set to 2.11D+00
     Eigenvalues ---    0.00041   0.00107   0.00140   0.00223   0.00317
     Eigenvalues ---    0.00355   0.00406   0.00427   0.00572   0.00593
     Eigenvalues ---    0.00646   0.00720   0.00759   0.00859   0.00928
     Eigenvalues ---    0.00948   0.00971   0.01025   0.01143   0.01209
     Eigenvalues ---    0.01240   0.01283   0.01371   0.01401   0.01419
     Eigenvalues ---    0.01442   0.01491   0.01526   0.01585   0.01616
     Eigenvalues ---    0.01681   0.01751   0.01866   0.01926   0.01973
     Eigenvalues ---    0.02041   0.02184   0.02194   0.02196   0.02203
     Eigenvalues ---    0.02220   0.02258   0.02268   0.02284   0.02295
     Eigenvalues ---    0.02327   0.02371   0.02405   0.02408   0.02414
     Eigenvalues ---    0.02449   0.02482   0.02485   0.02527   0.02528
     Eigenvalues ---    0.02597   0.02677   0.02706   0.02847   0.03198
     Eigenvalues ---    0.03370   0.03995   0.04018   0.04137   0.04168
     Eigenvalues ---    0.04202   0.04385   0.04482   0.04763   0.04819
     Eigenvalues ---    0.04855   0.04958   0.05035   0.05136   0.05184
     Eigenvalues ---    0.05234   0.05329   0.05371   0.05431   0.05458
     Eigenvalues ---    0.05533   0.05627   0.05661   0.05718   0.05737
     Eigenvalues ---    0.05818   0.05836   0.05910   0.05972   0.06059
     Eigenvalues ---    0.06252   0.06487   0.06573   0.06658   0.06907
     Eigenvalues ---    0.07126   0.07459   0.07539   0.08133   0.08544
     Eigenvalues ---    0.08701   0.09407   0.09819   0.09849   0.10356
     Eigenvalues ---    0.11945   0.12882   0.13119   0.13140   0.13419
     Eigenvalues ---    0.13691   0.13837   0.13897   0.14343   0.15128
     Eigenvalues ---    0.15672   0.15700   0.15930   0.15949   0.15967
     Eigenvalues ---    0.15985   0.15989   0.15998   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16003   0.16007
     Eigenvalues ---    0.16014   0.16034   0.16045   0.16064   0.16071
     Eigenvalues ---    0.16087   0.16182   0.16229   0.16632   0.16842
     Eigenvalues ---    0.16893   0.17575   0.17783   0.17984   0.18357
     Eigenvalues ---    0.18681   0.19124   0.19475   0.20202   0.20732
     Eigenvalues ---    0.21395   0.21768   0.21833   0.22000   0.22001
     Eigenvalues ---    0.22003   0.22023   0.22077   0.22155   0.22498
     Eigenvalues ---    0.22639   0.23018   0.23418   0.23480   0.23553
     Eigenvalues ---    0.23660   0.23729   0.24241   0.24491   0.24654
     Eigenvalues ---    0.24843   0.24992   0.25007   0.25049   0.25125
     Eigenvalues ---    0.25264   0.25489   0.25686   0.26259   0.28946
     Eigenvalues ---    0.29289   0.29677   0.29768   0.29925   0.30118
     Eigenvalues ---    0.30226   0.30375   0.30509   0.30746   0.30945
     Eigenvalues ---    0.31327   0.31337   0.31431   0.31499   0.31516
     Eigenvalues ---    0.31630   0.31669   0.31800   0.32002   0.32220
     Eigenvalues ---    0.32309   0.32434   0.32558   0.32612   0.32631
     Eigenvalues ---    0.32776   0.32833   0.32862   0.32952   0.33009
     Eigenvalues ---    0.33044   0.33064   0.33099   0.33180   0.33228
     Eigenvalues ---    0.33321   0.33528   0.33562   0.33594   0.33671
     Eigenvalues ---    0.33684   0.33815   0.33960   0.33995   0.34110
     Eigenvalues ---    0.34166   0.34243   0.34280   0.34363   0.34428
     Eigenvalues ---    0.34467   0.34498   0.34620   0.34730   0.35145
     Eigenvalues ---    0.36228   0.36247   0.36286   0.36320   0.36376
     Eigenvalues ---    0.36635   0.36838   0.36960   0.37298   0.38114
     Eigenvalues ---    0.38737   0.39187   0.39467   0.41073   0.41245
     Eigenvalues ---    0.41507   0.42514   0.42932   0.43025   0.43344
     Eigenvalues ---    0.43923   0.44240   0.45118   0.46038   0.47491
     Eigenvalues ---    0.48293   0.48400   0.48466   0.48596   0.48866
     Eigenvalues ---    0.49111   0.49809   0.50085   0.50392   0.51011
     Eigenvalues ---    0.51256   0.51384   0.54624   0.56368   0.58388
     Eigenvalues ---    0.59638   0.62904   0.65173   0.75656   0.77795
     Eigenvalues ---    0.81207   0.83749   1.980781000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    36   35   34   33   32
 RFO step:  Lambda=-1.97981185D-04.
 DIIS coeffs:      0.74945      0.83803      0.35393     -1.37059      0.42918
 Iteration  1 RMS(Cart)=  0.26159757 RMS(Int)=  0.01153043
 Iteration  2 RMS(Cart)=  0.04447761 RMS(Int)=  0.00127841
 Iteration  3 RMS(Cart)=  0.00099467 RMS(Int)=  0.00124127
 Iteration  4 RMS(Cart)=  0.00000959 RMS(Int)=  0.00124127
 Iteration  5 RMS(Cart)=  0.00000008 RMS(Int)=  0.00124127
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89393   0.00012  -0.00005   0.00021   0.00015   2.89408
    R2        2.07209  -0.00003   0.00011  -0.00051  -0.00040   2.07170
    R3        2.07427  -0.00007  -0.00005  -0.00010  -0.00015   2.07413
    R4        2.07208   0.00004   0.00001   0.00028   0.00029   2.07237
    R5        2.89498  -0.00004   0.00002  -0.00036  -0.00034   2.89464
    R6        2.82799   0.00004  -0.00003   0.00029   0.00026   2.82825
    R7        2.13085   0.00009  -0.00010   0.00027   0.00017   2.13102
    R8        2.07206   0.00002  -0.00013   0.00032   0.00020   2.07225
    R9        2.07301   0.00009   0.00000  -0.00017  -0.00018   2.07284
   R10        2.07210   0.00000  -0.00003   0.00001  -0.00002   2.07208
   R11        2.47933   0.00005  -0.00015   0.00059   0.00044   2.47977
   R12        3.36965   0.00026   0.00032  -0.00100  -0.00068   3.36897
   R13        2.68344  -0.00039   0.00052  -0.00072  -0.00020   2.68324
   R14        2.83921   0.00062  -0.00046  -0.00007  -0.00053   2.83868
   R15        2.57996   0.00031  -0.00060   0.00039  -0.00021   2.57975
   R16        2.80504  -0.00023   0.00010  -0.00179  -0.00169   2.80336
   R17        2.11029   0.00020  -0.00014   0.00030   0.00015   2.11045
   R18        2.12008  -0.00013   0.00009  -0.00063  -0.00054   2.11954
   R19        2.81483  -0.00083   0.00009  -0.00224  -0.00215   2.81267
   R20        2.68716  -0.00095  -0.00071   0.00009  -0.00062   2.68654
   R21        2.08329  -0.00010  -0.00018   0.00051   0.00033   2.08361
   R22        2.09287   0.00005  -0.00013  -0.00027  -0.00040   2.09247
   R23        2.08141   0.00016   0.00010  -0.00053  -0.00043   2.08098
   R24        2.31509   0.00052   0.00008   0.00064   0.00072   2.31581
   R25        2.69408   0.00009  -0.00007  -0.00099  -0.00106   2.69302
   R26        2.80148   0.00078   0.00012   0.00512   0.00524   2.80672
   R27        1.94577  -0.00002   0.00078  -0.00225  -0.00147   1.94431
   R28        2.91255  -0.00030  -0.00032   0.00189   0.00158   2.91412
   R29        2.94067   0.00091   0.00036   0.00267   0.00303   2.94370
   R30        2.13593  -0.00001   0.00026  -0.00020   0.00006   2.13600
   R31        2.31927  -0.00048   0.00073   0.00091   0.00164   2.32091
   R32        2.61891  -0.00080  -0.00023  -0.00119  -0.00142   2.61749
   R33        2.81282  -0.00068   0.00048   0.00203   0.00252   2.81534
   R34        1.92432   0.00004   0.00076  -0.00104  -0.00028   1.92403
   R35        2.92398  -0.00054   0.00037  -0.00012   0.00024   2.92422
   R36        2.90898   0.00051  -0.00031   0.00273   0.00242   2.91140
   R37        2.13330   0.00024  -0.00036   0.00207   0.00171   2.13501
   R38        2.84094   0.00009   0.00002   0.00000   0.00002   2.84096
   R39        2.10438  -0.00011  -0.00001   0.00036   0.00035   2.10472
   R40        2.09732  -0.00005   0.00014   0.00015   0.00029   2.09760
   R41        2.65315   0.00006  -0.00013   0.00031   0.00018   2.65332
   R42        2.65264  -0.00014   0.00006   0.00007   0.00013   2.65278
   R43        2.64071  -0.00010   0.00016  -0.00009   0.00008   2.64079
   R44        2.05904   0.00013  -0.00023   0.00008  -0.00015   2.05889
   R45        2.64218   0.00008  -0.00017  -0.00016  -0.00033   2.64185
   R46        2.05913  -0.00003  -0.00001   0.00002   0.00001   2.05913
   R47        2.64293  -0.00009   0.00011  -0.00008   0.00003   2.64296
   R48        2.05618  -0.00003   0.00006  -0.00005   0.00001   2.05619
   R49        2.64079  -0.00008  -0.00009   0.00001  -0.00008   2.64071
   R50        2.05856  -0.00006   0.00009  -0.00004   0.00006   2.05862
   R51        2.05514   0.00001   0.00007   0.00000   0.00006   2.05520
   R52        2.89275   0.00172   0.00006   0.00094   0.00099   2.89375
   R53        2.10160   0.00002  -0.00014  -0.00113  -0.00127   2.10034
   R54        2.09592  -0.00035   0.00049   0.00173   0.00222   2.09815
   R55        2.73089   0.00015   0.00005   0.00226   0.00231   2.73320
   R56        2.95343  -0.00110   0.00016  -0.00255  -0.00239   2.95104
   R57        2.10644   0.00009   0.00025  -0.00004   0.00021   2.10665
   R58        1.88430   0.00060  -0.00023   0.00426   0.00404   1.88834
   R59        2.90220   0.00109  -0.00053  -0.00357  -0.00411   2.89810
   R60        2.82021   0.00075   0.00059   0.00024   0.00083   2.82104
   R61        2.12612   0.00063  -0.00043   0.00189   0.00146   2.12758
   R62        2.84381  -0.00044   0.00000  -0.00059  -0.00059   2.84322
   R63        2.10966   0.00059  -0.00006  -0.00214  -0.00220   2.10746
   R64        2.09874  -0.00019  -0.00033   0.00189   0.00156   2.10029
   R65        2.65221  -0.00024   0.00016  -0.00096  -0.00079   2.65141
   R66        2.65113  -0.00003  -0.00015  -0.00011  -0.00026   2.65087
   R67        2.63855   0.00002  -0.00018  -0.00035  -0.00053   2.63802
   R68        2.06554  -0.00033   0.00024   0.00055   0.00079   2.06633
   R69        2.64443  -0.00009   0.00015   0.00027   0.00042   2.64485
   R70        2.05767  -0.00006  -0.00002  -0.00001  -0.00003   2.05765
   R71        2.64157   0.00013  -0.00015  -0.00027  -0.00042   2.64115
   R72        2.05500  -0.00002  -0.00003  -0.00020  -0.00022   2.05477
   R73        2.64246  -0.00024   0.00015   0.00025   0.00040   2.64285
   R74        2.05653   0.00003  -0.00004  -0.00027  -0.00031   2.05623
   R75        2.05317   0.00001  -0.00004  -0.00013  -0.00017   2.05300
   R76        2.63593   0.00230   0.00304   0.00522   0.00826   2.64419
   R77        1.95282   0.00074   0.00268   0.00575   0.00843   1.96125
   R78        2.29167   0.00082  -0.00019   0.00023   0.00003   2.29170
   R79        2.64248  -0.00047  -0.00117  -0.00062  -0.00179   2.64069
   R80        2.75530  -0.00005  -0.00010   0.00140   0.00131   2.75661
   R81        2.79424  -0.00039  -0.00013  -0.00130  -0.00143   2.79281
   R82        2.09913  -0.00019  -0.00005  -0.00169  -0.00174   2.09739
   R83        2.09610  -0.00006  -0.00012  -0.00052  -0.00063   2.09546
   R84        2.59075   0.00004  -0.00008  -0.00028  -0.00035   2.59040
   R85        3.28780  -0.00015   0.00000  -0.00045  -0.00044   3.28736
   R86        2.66335  -0.00018  -0.00009  -0.00046  -0.00055   2.66280
   R87        2.05229   0.00004  -0.00024  -0.00021  -0.00045   2.05184
   R88        2.48483   0.00006   0.00023   0.00126   0.00149   2.48631
   R89        3.33614  -0.00001  -0.00036  -0.00320  -0.00356   3.33258
   R90        2.04714  -0.00001   0.00001   0.00001   0.00002   2.04717
   R91        2.88492   0.00206  -0.00047   0.00307   0.00260   2.88753
   R92        2.89275   0.00017  -0.00048  -0.00066  -0.00114   2.89161
   R93        2.11957   0.00041  -0.00020   0.00053   0.00033   2.11991
   R94        2.07467   0.00047   0.00127  -0.00028   0.00099   2.07566
   R95        2.08194   0.00122  -0.00092   0.00642   0.00550   2.08744
   R96        2.07295  -0.00020  -0.00114  -0.00031  -0.00144   2.07151
   R97        2.07412  -0.00003   0.00024   0.00040   0.00064   2.07476
   R98        2.08116  -0.00015   0.00020  -0.00024  -0.00004   2.08112
   R99        2.06805   0.00019  -0.00029  -0.00034  -0.00063   2.06742
   R100       3.27942  -0.00002   0.00074  -0.00125  -0.00051   3.27891
   R101       2.04013  -0.00005   0.00011  -0.00091  -0.00080   2.03933
    A1        1.93576  -0.00009   0.00012  -0.00053  -0.00041   1.93535
    A2        1.94533  -0.00003   0.00022   0.00004   0.00026   1.94559
    A3        1.96194   0.00004  -0.00006   0.00054   0.00048   1.96242
    A4        1.87413   0.00002  -0.00034   0.00063   0.00029   1.87442
    A5        1.86905   0.00002  -0.00017   0.00019   0.00002   1.86907
    A6        1.87329   0.00005   0.00021  -0.00086  -0.00065   1.87264
    A7        1.95136   0.00000  -0.00026   0.00016  -0.00010   1.95126
    A8        1.92720   0.00001   0.00029  -0.00036  -0.00007   1.92713
    A9        1.88777   0.00006  -0.00003   0.00074   0.00072   1.88849
   A10        1.92536  -0.00001  -0.00017   0.00031   0.00014   1.92550
   A11        1.88957  -0.00001   0.00001  -0.00049  -0.00048   1.88908
   A12        1.88038  -0.00005   0.00017  -0.00037  -0.00019   1.88019
   A13        1.95989   0.00012  -0.00024   0.00045   0.00021   1.96011
   A14        1.94552  -0.00003  -0.00005  -0.00017  -0.00022   1.94530
   A15        1.93468  -0.00002  -0.00001   0.00009   0.00009   1.93477
   A16        1.87614  -0.00005   0.00009  -0.00012  -0.00003   1.87610
   A17        1.86946  -0.00003   0.00035  -0.00089  -0.00054   1.86892
   A18        1.87401   0.00001  -0.00012   0.00061   0.00049   1.87450
   A19        2.20794  -0.00001   0.00009   0.00017   0.00026   2.20820
   A20        2.11787   0.00002  -0.00013  -0.00041  -0.00054   2.11733
   A21        1.95736  -0.00001   0.00003   0.00023   0.00025   1.95762
   A22        1.95894   0.00013  -0.00001  -0.00072  -0.00073   1.95821
   A23        2.04086  -0.00011  -0.00084   0.00162   0.00078   2.04164
   A24        2.01291  -0.00008   0.00008   0.00045   0.00053   2.01344
   A25        2.22937   0.00019   0.00075  -0.00205  -0.00130   2.22807
   A26        1.99215   0.00006   0.00002  -0.00236  -0.00233   1.98981
   A27        1.91347  -0.00004   0.00010  -0.00153  -0.00143   1.91204
   A28        1.92187  -0.00028   0.00044   0.00150   0.00194   1.92380
   A29        1.91411   0.00018  -0.00068   0.00140   0.00072   1.91484
   A30        1.87255   0.00017  -0.00044   0.00083   0.00039   1.87294
   A31        1.84351  -0.00010   0.00059   0.00043   0.00102   1.84453
   A32        1.99263  -0.00038   0.00008   0.00292   0.00295   1.99558
   A33        2.11856   0.00051  -0.00008   0.00064   0.00052   2.11908
   A34        2.00968  -0.00009  -0.00045   0.00127   0.00078   2.01046
   A35        1.89905   0.00006   0.00051   0.00018   0.00069   1.89974
   A36        1.91840  -0.00007  -0.00073  -0.00076  -0.00149   1.91691
   A37        1.96644  -0.00002  -0.00023  -0.00110  -0.00133   1.96511
   A38        1.88591   0.00007   0.00034   0.00082   0.00116   1.88707
   A39        1.90164   0.00000  -0.00021   0.00099   0.00078   1.90241
   A40        1.89073  -0.00003   0.00034  -0.00003   0.00031   1.89104
   A41        2.11957  -0.00003   0.00039  -0.00233  -0.00193   2.11764
   A42        2.05496   0.00022   0.00010  -0.00090  -0.00079   2.05417
   A43        2.10828  -0.00018  -0.00059   0.00335   0.00277   2.11105
   A44        2.02820   0.00065   0.00053   0.00453   0.00508   2.03327
   A45        2.07155  -0.00037   0.00152   0.00187   0.00341   2.07496
   A46        1.97292  -0.00006   0.00067   0.00255   0.00325   1.97617
   A47        1.89765  -0.00006  -0.00050   0.00680   0.00631   1.90396
   A48        1.91083   0.00144   0.00071   0.00613   0.00683   1.91766
   A49        1.88487  -0.00009   0.00074   0.00089   0.00166   1.88653
   A50        1.93787  -0.00155   0.00031  -0.00291  -0.00266   1.93521
   A51        1.93232   0.00085  -0.00019  -0.00605  -0.00628   1.92604
   A52        1.89948  -0.00053  -0.00102  -0.00461  -0.00566   1.89382
   A53        2.13079   0.00044  -0.00164   0.00365   0.00199   2.13278
   A54        2.03414   0.00068   0.00091  -0.00327  -0.00238   2.03176
   A55        2.11813  -0.00109   0.00073  -0.00053   0.00019   2.11832
   A56        2.11042  -0.00216   0.00087   0.00221   0.00312   2.11353
   A57        2.12040   0.00098  -0.00214  -0.00122  -0.00333   2.11707
   A58        2.03825   0.00093  -0.00025   0.00236   0.00214   2.04039
   A59        1.90382   0.00158  -0.00172   0.00221   0.00049   1.90431
   A60        1.93723  -0.00382   0.00280  -0.00267   0.00013   1.93736
   A61        1.87412   0.00084  -0.00092   0.00115   0.00023   1.87435
   A62        1.95625   0.00261  -0.00044   0.00312   0.00269   1.95894
   A63        1.88752  -0.00095   0.00027  -0.00272  -0.00245   1.88507
   A64        1.90243  -0.00028  -0.00008  -0.00120  -0.00127   1.90117
   A65        1.99484  -0.00014   0.00041  -0.00024   0.00017   1.99501
   A66        1.89356   0.00011   0.00027   0.00075   0.00102   1.89457
   A67        1.90000  -0.00001  -0.00038  -0.00050  -0.00087   1.89912
   A68        1.91756   0.00006  -0.00006   0.00205   0.00199   1.91955
   A69        1.92609  -0.00002  -0.00018  -0.00102  -0.00119   1.92490
   A70        1.82369   0.00001  -0.00011  -0.00111  -0.00122   1.82247
   A71        2.09428   0.00009  -0.00006   0.00019   0.00013   2.09441
   A72        2.10361  -0.00008   0.00000   0.00034   0.00035   2.10396
   A73        2.08527  -0.00001   0.00005  -0.00053  -0.00048   2.08479
   A74        2.09689   0.00001  -0.00004   0.00029   0.00025   2.09714
   A75        2.09745  -0.00002   0.00025   0.00020   0.00044   2.09790
   A76        2.08876   0.00001  -0.00022  -0.00049  -0.00071   2.08805
   A77        2.09887  -0.00005   0.00000   0.00001   0.00001   2.09888
   A78        2.09043   0.00001   0.00000  -0.00007  -0.00007   2.09037
   A79        2.09388   0.00004  -0.00001   0.00007   0.00006   2.09393
   A80        2.08962   0.00002   0.00001  -0.00006  -0.00006   2.08956
   A81        2.09728  -0.00005   0.00012  -0.00008   0.00004   2.09732
   A82        2.09627   0.00003  -0.00013   0.00014   0.00002   2.09629
   A83        2.09926   0.00000   0.00001   0.00002   0.00003   2.09929
   A84        2.09296  -0.00003  -0.00006  -0.00006  -0.00012   2.09284
   A85        2.09096   0.00003   0.00005   0.00004   0.00009   2.09105
   A86        2.09641   0.00003  -0.00003   0.00027   0.00023   2.09664
   A87        2.09767  -0.00001   0.00001   0.00008   0.00009   2.09776
   A88        2.08909  -0.00003   0.00003  -0.00035  -0.00032   2.08877
   A89        1.96316  -0.00486   0.00101  -0.00140  -0.00041   1.96275
   A90        1.92858   0.00090   0.00080   0.00061   0.00138   1.92997
   A91        1.90431   0.00204  -0.00112   0.00365   0.00253   1.90685
   A92        1.89759   0.00160   0.00057   0.00154   0.00208   1.89966
   A93        1.92777   0.00139  -0.00153  -0.00226  -0.00378   1.92399
   A94        1.83842  -0.00079   0.00027  -0.00221  -0.00193   1.83649
   A95        1.88152   0.00010   0.00512   0.01093   0.01609   1.89761
   A96        1.96495   0.00130   0.00116   0.00297   0.00426   1.96921
   A97        1.95470  -0.00054  -0.00052  -0.00215  -0.00270   1.95200
   A98        1.80316  -0.00007  -0.00572  -0.00876  -0.01456   1.78860
   A99        1.90500  -0.00037   0.00044  -0.00328  -0.00300   1.90200
   A100       1.94639  -0.00041  -0.00051   0.00007  -0.00052   1.94586
   A101       1.91997   0.00000   0.00027  -0.00177  -0.00150   1.91847
   A102       1.93936   0.00032   0.00038   0.00077   0.00115   1.94051
   A103       1.90574  -0.00113  -0.00102   0.00027  -0.00074   1.90499
   A104       1.90311   0.00017   0.00179  -0.00042   0.00136   1.90447
   A105       1.96949   0.00052   0.00024  -0.00501  -0.00476   1.96472
   A106       1.91177  -0.00011  -0.00068   0.00480   0.00411   1.91588
   A107       1.83050   0.00022  -0.00070  -0.00037  -0.00107   1.82943
   A108       1.94907  -0.00022  -0.00086  -0.00139  -0.00226   1.94681
   A109       1.92587   0.00004   0.00071  -0.00221  -0.00152   1.92435
   A110       1.90744   0.00051  -0.00018   0.00185   0.00167   1.90911
   A111       1.92157  -0.00011  -0.00041  -0.00608  -0.00651   1.91506
   A112       1.92162   0.00002   0.00112   0.00281   0.00393   1.92554
   A113       1.83489  -0.00023  -0.00033   0.00550   0.00517   1.84007
   A114       2.09490  -0.00059   0.00003  -0.00136  -0.00133   2.09357
   A115       2.09822   0.00053  -0.00015   0.00109   0.00094   2.09916
   A116       2.09006   0.00007   0.00012   0.00028   0.00040   2.09045
   A117       2.09438   0.00005  -0.00014   0.00030   0.00016   2.09454
   A118       2.08648  -0.00001  -0.00030  -0.00197  -0.00227   2.08421
   A119       2.10230  -0.00004   0.00044   0.00165   0.00209   2.10439
   A120       2.09865  -0.00010   0.00007  -0.00031  -0.00024   2.09841
   A121       2.09092   0.00008  -0.00005   0.00045   0.00040   2.09132
   A122       2.09361   0.00002  -0.00002  -0.00013  -0.00016   2.09345
   A123       2.09108   0.00002   0.00003   0.00008   0.00011   2.09119
   A124       2.09569  -0.00003   0.00000  -0.00043  -0.00043   2.09526
   A125       2.09642   0.00001  -0.00003   0.00035   0.00032   2.09674
   A126       2.09861   0.00000  -0.00005  -0.00001  -0.00006   2.09855
   A127       2.09361  -0.00001  -0.00001   0.00047   0.00046   2.09407
   A128       2.09096   0.00001   0.00006  -0.00046  -0.00040   2.09057
   A129       2.09358  -0.00003  -0.00003  -0.00033  -0.00036   2.09322
   A130       2.10060  -0.00010   0.00005   0.00076   0.00081   2.10141
   A131       2.08901   0.00014  -0.00002  -0.00043  -0.00045   2.08856
   A132       2.10001  -0.00093  -0.00469  -0.03346  -0.05069   2.04932
   A133       1.95082   0.00050  -0.00588  -0.03116  -0.05329   1.89753
   A134       2.01238   0.00029  -0.00327  -0.02847  -0.04946   1.96292
   A135       2.27203  -0.00002  -0.00106  -0.00129  -0.00237   2.26966
   A136       1.87426   0.00061   0.00044   0.00150   0.00192   1.87618
   A137       2.13326  -0.00055   0.00004  -0.00150  -0.00148   2.13178
   A138       2.03102  -0.00072   0.00136   0.00010   0.00146   2.03248
   A139       1.89369  -0.00084  -0.00020  -0.00270  -0.00290   1.89079
   A140       1.77000   0.00041  -0.00030   0.00129   0.00100   1.77100
   A141       1.90892   0.00023   0.00052  -0.00043   0.00009   1.90901
   A142       1.96951   0.00027   0.00059   0.00198   0.00257   1.97209
   A143       1.98874  -0.00016   0.00000   0.00015   0.00015   1.98889
   A144       1.91943   0.00013  -0.00062  -0.00031  -0.00094   1.91849
   A145       2.25525  -0.00022   0.00131  -0.00039   0.00080   2.25605
   A146       2.11711   0.00027  -0.00145   0.00054  -0.00102   2.11609
   A147       1.91021  -0.00006   0.00009  -0.00087  -0.00088   1.90933
   A148       2.01329   0.00014  -0.00009   0.00070   0.00061   2.01391
   A149       2.21327  -0.00010   0.00047   0.00054   0.00100   2.21427
   A150       2.05662  -0.00004  -0.00038  -0.00123  -0.00161   2.05501
   A151       1.95265  -0.00012  -0.00003  -0.00110  -0.00113   1.95152
   A152       1.97140   0.00004   0.00005   0.00036   0.00027   1.97167
   A153       2.18878  -0.00005  -0.00003  -0.00156  -0.00172   2.18705
   A154       2.12300   0.00001  -0.00002   0.00124   0.00109   2.12409
   A155       1.57714   0.00000  -0.00003   0.00067   0.00066   1.57779
   A156       1.96309   0.00110  -0.00085   0.00856   0.00771   1.97080
   A157       1.92139  -0.00101   0.00167  -0.00419  -0.00253   1.91887
   A158       1.85745  -0.00001  -0.00091   0.00128   0.00037   1.85782
   A159       1.93524  -0.00031  -0.00071  -0.00328  -0.00399   1.93125
   A160       1.89046   0.00005   0.00102  -0.00299  -0.00198   1.88848
   A161       1.89306   0.00018  -0.00022   0.00062   0.00039   1.89345
   A162       1.95968   0.00050   0.00123   0.00335   0.00460   1.96428
   A163       1.96708  -0.00111   0.00035   0.00388   0.00423   1.97131
   A164       1.93521   0.00087  -0.00112  -0.00226  -0.00335   1.93186
   A165       1.85106   0.00042   0.00113  -0.00410  -0.00298   1.84808
   A166       1.88400  -0.00130   0.00093  -0.00118  -0.00020   1.88380
   A167       1.86114   0.00058  -0.00270  -0.00007  -0.00276   1.85838
   A168       1.93164   0.00014  -0.00074   0.00083   0.00009   1.93172
   A169       1.96692  -0.00010   0.00016  -0.00167  -0.00150   1.96542
   A170       1.96032  -0.00004   0.00076  -0.00009   0.00067   1.96099
   A171       1.85492  -0.00001  -0.00083   0.00006  -0.00076   1.85415
   A172       1.86351  -0.00003  -0.00093   0.00289   0.00196   1.86547
   A173       1.88041   0.00005   0.00147  -0.00183  -0.00036   1.88005
   A174       1.91460   0.00009   0.00003  -0.00029  -0.00027   1.91433
   A175       2.23964   0.00003   0.00152  -0.00181  -0.00029   2.23934
   A176       2.12890  -0.00013  -0.00155   0.00215   0.00060   2.12950
   A177       1.58093  -0.00013  -0.00015   0.00028   0.00012   1.58104
    D1        1.08032   0.00004   0.00123   0.00518   0.00640   1.08672
    D2       -3.05215   0.00004   0.00103   0.00542   0.00645  -3.04569
    D3       -0.99854   0.00002   0.00139   0.00521   0.00660  -0.99194
    D4       -3.11565  -0.00002   0.00102   0.00564   0.00666  -3.10898
    D5       -0.96493  -0.00002   0.00083   0.00588   0.00671  -0.95822
    D6        1.08868  -0.00004   0.00118   0.00568   0.00686   1.09554
    D7       -1.01158   0.00005   0.00141   0.00493   0.00634  -1.00524
    D8        1.13913   0.00005   0.00122   0.00517   0.00639   1.14552
    D9       -3.09044   0.00003   0.00157   0.00497   0.00654  -3.08390
   D10        1.00276   0.00000   0.00270  -0.00760  -0.00490   0.99786
   D11        3.10919  -0.00001   0.00261  -0.00755  -0.00494   3.10425
   D12       -1.08753  -0.00003   0.00242  -0.00684  -0.00441  -1.09194
   D13       -1.14900  -0.00001   0.00263  -0.00746  -0.00483  -1.15383
   D14        0.95742  -0.00002   0.00254  -0.00742  -0.00487   0.95255
   D15        3.04390  -0.00004   0.00236  -0.00670  -0.00435   3.03955
   D16        3.08056   0.00006   0.00252  -0.00690  -0.00439   3.07617
   D17       -1.09620   0.00005   0.00243  -0.00686  -0.00443  -1.10063
   D18        0.99027   0.00003   0.00224  -0.00614  -0.00390   0.98637
   D19        2.08958  -0.00002   0.00595  -0.00204   0.00391   2.09349
   D20       -1.05586   0.00001   0.00449  -0.00689  -0.00240  -1.05826
   D21       -2.02785  -0.00002   0.00570  -0.00188   0.00382  -2.02403
   D22        1.10989   0.00001   0.00424  -0.00673  -0.00249   1.10740
   D23        0.03143  -0.00007   0.00572  -0.00252   0.00320   0.03463
   D24       -3.11401  -0.00004   0.00426  -0.00737  -0.00311  -3.11712
   D25       -3.13888  -0.00003  -0.00053  -0.00106  -0.00159  -3.14048
   D26        0.00626  -0.00005   0.00082   0.00341   0.00423   0.01049
   D27        3.13782   0.00003   0.00018  -0.00155  -0.00137   3.13645
   D28       -0.00711   0.00006  -0.00109  -0.00575  -0.00685  -0.01396
   D29        3.13044  -0.00002  -0.00039   0.00308   0.00268   3.13312
   D30       -0.00178   0.00002   0.00000   0.00167   0.00167  -0.00011
   D31        2.20779  -0.00009   0.00027  -0.01170  -0.01143   2.19636
   D32       -1.92039   0.00017  -0.00053  -0.01274  -0.01327  -1.93366
   D33        0.10067  -0.00014   0.00049  -0.01225  -0.01175   0.08892
   D34       -0.94451  -0.00014  -0.00019  -0.01007  -0.01027  -0.95478
   D35        1.21048   0.00012  -0.00099  -0.01111  -0.01210   1.19838
   D36       -3.05164  -0.00019   0.00003  -0.01062  -0.01059  -3.06222
   D37       -0.00365   0.00002  -0.00083  -0.00596  -0.00679  -0.01044
   D38        3.12858   0.00009  -0.00004  -0.00016  -0.00020   3.12838
   D39       -3.13467   0.00007  -0.00037  -0.00757  -0.00794   3.14057
   D40       -0.00244   0.00014   0.00043  -0.00177  -0.00135  -0.00380
   D41       -1.18713  -0.00006   0.00012  -0.00441  -0.00428  -1.19141
   D42        1.34393  -0.00004  -0.00097   0.00422   0.00324   1.34717
   D43        2.94141  -0.00020   0.00050  -0.00177  -0.00128   2.94013
   D44       -0.81072  -0.00018  -0.00060   0.00685   0.00625  -0.80447
   D45        0.94723  -0.00026   0.00038  -0.00343  -0.00305   0.94418
   D46       -2.80490  -0.00024  -0.00071   0.00519   0.00448  -2.80042
   D47       -1.12408   0.00013   0.01035   0.00788   0.01823  -1.10585
   D48        3.09717   0.00004   0.01006   0.00722   0.01729   3.11445
   D49        0.98671   0.00015   0.01029   0.00854   0.01883   1.00554
   D50        2.58874  -0.00011   0.01126   0.00009   0.01135   2.60008
   D51        0.52680  -0.00020   0.01097  -0.00057   0.01040   0.53720
   D52       -1.58365  -0.00009   0.01119   0.00075   0.01194  -1.57171
   D53       -2.87237   0.00025  -0.00664  -0.00642  -0.01307  -2.88544
   D54        0.29830   0.00002  -0.00360  -0.01146  -0.01506   0.28324
   D55       -0.34682   0.00018  -0.00761   0.00281  -0.00479  -0.35161
   D56        2.82385  -0.00005  -0.00457  -0.00223  -0.00678   2.81707
   D57        2.82002   0.00016  -0.00198   0.00663   0.00463   2.82466
   D58        0.37562  -0.00013  -0.00656  -0.00720  -0.01374   0.36187
   D59       -0.29269  -0.00007   0.00102   0.00173   0.00273  -0.28996
   D60       -2.73710  -0.00036  -0.00356  -0.01210  -0.01564  -2.75274
   D61       -1.67060  -0.00063  -0.02259   0.03878   0.01620  -1.65440
   D62        2.49272   0.00042  -0.02308   0.03435   0.01124   2.50396
   D63        0.42704   0.00030  -0.02268   0.03592   0.01324   0.44028
   D64        0.81234  -0.00050  -0.01797   0.05151   0.03356   0.84590
   D65       -1.30753   0.00055  -0.01846   0.04707   0.02861  -1.27892
   D66        2.90998   0.00044  -0.01806   0.04865   0.03060   2.94058
   D67       -0.64521   0.00007   0.01065  -0.00883   0.00183  -0.64338
   D68        2.47948   0.00157   0.00992  -0.01837  -0.00846   2.47102
   D69        1.45804   0.00085   0.01139   0.00136   0.01275   1.47078
   D70       -1.70046   0.00236   0.01066  -0.00819   0.00245  -1.69801
   D71       -2.71319  -0.00029   0.01016  -0.01052  -0.00033  -2.71352
   D72        0.41150   0.00121   0.00943  -0.02006  -0.01063   0.40087
   D73        1.11920   0.00077  -0.03290  -0.01267  -0.04557   1.07363
   D74       -2.99636   0.00041  -0.03319  -0.01389  -0.04709  -3.04344
   D75       -0.94827   0.00010  -0.03311  -0.01462  -0.04773  -0.99600
   D76       -0.97623   0.00089  -0.03295  -0.02327  -0.05620  -1.03243
   D77        1.19139   0.00053  -0.03323  -0.02449  -0.05772   1.13367
   D78       -3.04371   0.00021  -0.03315  -0.02522  -0.05836  -3.10207
   D79       -3.10742   0.00118  -0.03220  -0.01075  -0.04296   3.13281
   D80       -0.93979   0.00082  -0.03249  -0.01198  -0.04448  -0.98427
   D81        1.10829   0.00051  -0.03241  -0.01271  -0.04512   1.06317
   D82        3.12636  -0.00205   0.00183   0.01129   0.01308   3.13944
   D83        0.17034  -0.00051   0.01058  -0.01078  -0.00019   0.17016
   D84       -0.03201  -0.00054   0.00104   0.00186   0.00289  -0.02911
   D85       -2.98802   0.00100   0.00980  -0.02021  -0.01037  -2.99839
   D86        2.49191   0.00136   0.01986   0.03643   0.05628   2.54819
   D87       -1.62744   0.00318   0.02002   0.04012   0.06012  -1.56733
   D88        0.45033   0.00118   0.02096   0.03785   0.05879   0.50912
   D89       -0.82685  -0.00009   0.01125   0.05714   0.06841  -0.75844
   D90        1.33698   0.00173   0.01141   0.06082   0.07225   1.40922
   D91       -2.86843  -0.00027   0.01236   0.05855   0.07092  -2.79751
   D92        1.08119  -0.00105   0.00454  -0.01493  -0.01039   1.07079
   D93       -1.06501  -0.00112   0.00412  -0.01799  -0.01386  -1.07887
   D94       -3.03976  -0.00118   0.00431  -0.01682  -0.01251  -3.05227
   D95       -1.07137   0.00091   0.00248  -0.01522  -0.01275  -1.08411
   D96        3.06563   0.00085   0.00206  -0.01828  -0.01622   3.04941
   D97        1.09087   0.00078   0.00225  -0.01711  -0.01486   1.07601
   D98        3.11424   0.00028   0.00266  -0.01386  -0.01120   3.10304
   D99        0.96805   0.00021   0.00224  -0.01692  -0.01467   0.95338
   D100      -1.00671   0.00014   0.00243  -0.01575  -0.01332  -1.02003
   D101       1.27045  -0.00104   0.01242   0.02256   0.03499   1.30544
   D102      -0.85378  -0.00037   0.01049   0.02112   0.03160  -0.82218
   D103      -2.86721  -0.00110   0.01036   0.02133   0.03169  -2.83552
   D104      -2.87910   0.00010   0.01192   0.02570   0.03763  -2.84147
   D105       1.27986   0.00077   0.00999   0.02426   0.03424   1.31410
   D106      -0.73357   0.00004   0.00986   0.02447   0.03433  -0.69924
   D107      -0.79023   0.00037   0.01193   0.02348   0.03541  -0.75482
   D108      -2.91446   0.00104   0.01000   0.02204   0.03203  -2.88243
   D109       1.35530   0.00031   0.00987   0.02225   0.03212   1.38741
   D110      -1.62139  -0.00008  -0.00306  -0.01973  -0.02279  -1.64418
   D111       1.52881  -0.00010  -0.00264  -0.02045  -0.02309   1.50572
   D112       0.51174   0.00001  -0.00246  -0.01736  -0.01982   0.49192
   D113      -2.62124   0.00000  -0.00204  -0.01808  -0.02012  -2.64136
   D114       2.51361   0.00005  -0.00273  -0.01810  -0.02083   2.49279
   D115      -0.61937   0.00004  -0.00231  -0.01882  -0.02113  -0.64050
   D116       3.13919   0.00000   0.00039  -0.00110  -0.00071   3.13848
   D117      -0.01682   0.00000  -0.00023  -0.00142  -0.00165  -0.01846
   D118      -0.01092   0.00001  -0.00003  -0.00038  -0.00041  -0.01133
   D119       3.11626   0.00001  -0.00064  -0.00070  -0.00134   3.11491
   D120      -3.13921   0.00000  -0.00037   0.00141   0.00104  -3.13817
   D121       0.01002  -0.00002  -0.00038   0.00103   0.00065   0.01068
   D122       0.01095  -0.00001   0.00004   0.00069   0.00074   0.01168
   D123      -3.12300  -0.00004   0.00004   0.00031   0.00035  -3.12265
   D124       0.00279  -0.00001   0.00000  -0.00022  -0.00022   0.00257
   D125       3.14037  -0.00001  -0.00010  -0.00019  -0.00029   3.14008
   D126      -3.12446  -0.00001   0.00061   0.00009   0.00070  -3.12376
   D127       0.01312  -0.00001   0.00051   0.00012   0.00063   0.01375
   D128       0.00537   0.00000   0.00001   0.00051   0.00052   0.00589
   D129       3.14154   0.00001  -0.00009   0.00026   0.00017  -3.14148
   D130      -3.13220   0.00000   0.00011   0.00048   0.00059  -3.13161
   D131       0.00397   0.00001   0.00000   0.00024   0.00024   0.00420
   D132      -0.00535   0.00000   0.00000  -0.00019  -0.00019  -0.00554
   D133       3.13365   0.00001  -0.00003  -0.00019  -0.00022   3.13343
   D134      -3.14151   0.00000   0.00011   0.00005   0.00016  -3.14135
   D135      -0.00252   0.00000   0.00008   0.00005   0.00013  -0.00239
   D136      -0.00284   0.00000  -0.00003  -0.00041  -0.00044  -0.00329
   D137       3.13114   0.00003  -0.00003  -0.00003  -0.00006   3.13109
   D138       3.14134  -0.00001   0.00000  -0.00041  -0.00041   3.14093
   D139      -0.00786   0.00002   0.00001  -0.00003  -0.00002  -0.00788
   D140      -1.65436   0.00117   0.00643   0.00339   0.00983  -1.64454
   D141       2.65141   0.00051   0.00968   0.00592   0.01556   2.66697
   D142       0.44151   0.00045   0.00985   0.00517   0.01503   0.45653
   D143       0.48739   0.00021   0.00846   0.00432   0.01279   0.50019
   D144      -1.49002  -0.00045   0.01171   0.00685   0.01853  -1.47149
   D145       2.58327  -0.00051   0.01187   0.00610   0.01799   2.60126
   D146       2.49651   0.00093   0.00826   0.00130   0.00958   2.50609
   D147       0.51910   0.00027   0.01152   0.00383   0.01532   0.53442
   D148      -1.69080   0.00021   0.01168   0.00309   0.01478  -1.67602
   D149       1.84090  -0.00086  -0.06005  -0.11418  -0.17409   1.66680
   D150      -2.35886   0.00064  -0.05896  -0.11024  -0.16938  -2.52825
   D151      -0.28605  -0.00005  -0.06263  -0.11628  -0.17886  -0.46491
   D152      -1.22515   0.00021   0.00227   0.01341   0.01565  -1.20949
   D153       2.87455   0.00014   0.00242   0.01908   0.02148   2.89603
   D154       0.88376   0.00039   0.00284   0.01959   0.02241   0.90617
   D155       3.03308  -0.00047  -0.00107   0.00420   0.00317   3.03625
   D156       0.84960  -0.00055  -0.00092   0.00987   0.00899   0.85858
   D157      -1.14120  -0.00030  -0.00050   0.01038   0.00992  -1.13127
   D158       0.98920   0.00020   0.00210   0.01295   0.01501   1.00421
   D159      -1.19429   0.00012   0.00224   0.01862   0.02084  -1.17346
   D160       3.09810   0.00037   0.00266   0.01913   0.02177   3.11987
   D161       2.91751   0.00061  -0.00824   0.00594  -0.00230   2.91521
   D162      -1.22239   0.00036  -0.00886  -0.00440  -0.01326  -1.23565
   D163       0.78707   0.00039  -0.00896   0.00204  -0.00692   0.78015
   D164      -1.21842  -0.00024  -0.00910   0.00320  -0.00590  -1.22432
   D165       0.92487  -0.00050  -0.00972  -0.00715  -0.01686   0.90801
   D166       2.93432  -0.00047  -0.00982  -0.00070  -0.01052   2.92381
   D167       0.81371   0.00027  -0.01028   0.00281  -0.00747   0.80624
   D168       2.95700   0.00001  -0.01090  -0.00753  -0.01843   2.93858
   D169      -1.31673   0.00005  -0.01100  -0.00108  -0.01208  -1.32881
   D170       1.28044   0.00004  -0.01597   0.00388  -0.00917   1.27127
   D171      -1.16412   0.00008   0.04416   0.14135   0.18259  -0.98153
   D172      -0.88542   0.00011  -0.01590   0.00622  -0.00676  -0.89217
   D173       2.95321   0.00014   0.04424   0.14368   0.18500   3.13821
   D174      -2.96531  -0.00018  -0.01475   0.00333  -0.00850  -2.97381
   D175       0.87332  -0.00014   0.04538   0.14080   0.18326   1.05658
   D176       1.67305  -0.00023  -0.01702  -0.03088  -0.04789   1.62517
   D177      -1.47323  -0.00020  -0.01669  -0.02867  -0.04535  -1.51858
   D178      -0.47268  -0.00006  -0.01704  -0.02277  -0.03982  -0.51250
   D179       2.66422  -0.00003  -0.01672  -0.02055  -0.03728   2.62694
   D180      -2.48786   0.00027  -0.01704  -0.02753  -0.04457  -2.53244
   D181       0.64904   0.00031  -0.01672  -0.02532  -0.04204   0.60700
   D182       3.13662   0.00000   0.00098  -0.00021   0.00077   3.13739
   D183      -0.01162   0.00000   0.00067  -0.00333  -0.00266  -0.01427
   D184      -0.00031  -0.00004   0.00066  -0.00241  -0.00176  -0.00206
   D185       3.13464  -0.00004   0.00035  -0.00554  -0.00518   3.12946
   D186      -3.13574   0.00000  -0.00064   0.00050  -0.00014  -3.13588
   D187       0.00645  -0.00001  -0.00039   0.00076   0.00037   0.00682
   D188       0.00118   0.00003  -0.00032   0.00271   0.00239   0.00357
   D189      -3.13982   0.00002  -0.00007   0.00296   0.00290  -3.13692
   D190      -0.00098   0.00002  -0.00058   0.00056  -0.00002  -0.00101
   D191       3.13939   0.00002  -0.00084  -0.00037  -0.00121   3.13817
   D192      -3.13587   0.00002  -0.00027   0.00373   0.00346  -3.13241
   D193       0.00450   0.00002  -0.00053   0.00279   0.00227   0.00677
   D194       0.00140   0.00001   0.00017   0.00100   0.00116   0.00257
   D195      -3.14140   0.00001  -0.00012  -0.00033  -0.00045   3.14133
   D196      -3.13897   0.00000   0.00042   0.00193   0.00236  -3.13661
   D197       0.00141   0.00001   0.00014   0.00060   0.00074   0.00216
   D198      -0.00052  -0.00001   0.00017  -0.00070  -0.00052  -0.00105
   D199       3.14115  -0.00001  -0.00003  -0.00094  -0.00098   3.14017
   D200      -3.14090  -0.00002   0.00046   0.00063   0.00109  -3.13981
   D201       0.00077  -0.00001   0.00025   0.00039   0.00064   0.00141
   D202      -0.00076   0.00000  -0.00010  -0.00116  -0.00125  -0.00202
   D203       3.14024   0.00001  -0.00035  -0.00141  -0.00176   3.13848
   D204       3.14075  -0.00001   0.00011  -0.00091  -0.00080   3.13995
   D205      -0.00143   0.00000  -0.00015  -0.00116  -0.00131  -0.00274
   D206       0.58186   0.00022   0.05107   0.13579   0.18409   0.76595
   D207      -2.65161   0.00072   0.04550   0.11955   0.16232  -2.48929
   D208       3.00344   0.00024  -0.01133  -0.00733  -0.01593   2.98750
   D209      -0.23004   0.00074  -0.01690  -0.02357  -0.03771  -0.26774
   D210       3.12144  -0.00081   0.01160   0.02862   0.04026  -3.12149
   D211      -0.10312  -0.00033   0.00659   0.01395   0.02050  -0.08262
   D212      -1.52033   0.00072   0.00576   0.02885   0.03461  -1.48572
   D213       2.68546   0.00057   0.00532   0.02709   0.03241   2.71787
   D214       0.65861   0.00013   0.00596   0.02698   0.03294   0.69155
   D215      -1.13554  -0.00014  -0.04501  -0.10156  -0.14658  -1.28212
   D216       1.96429  -0.00039  -0.04881  -0.12593  -0.17473   1.78956
   D217       0.81146   0.00001  -0.04518  -0.10053  -0.14572   0.66575
   D218      -2.37188  -0.00024  -0.04897  -0.12490  -0.17387  -2.54575
   D219       3.01666   0.00029  -0.04553  -0.09913  -0.14467   2.87199
   D220      -0.16669   0.00003  -0.04933  -0.12350  -0.17282  -0.33951
   D221       3.11132  -0.00028  -0.00300  -0.01404  -0.01708   3.09424
   D222      -0.03291  -0.00001  -0.00228  -0.00986  -0.01217  -0.04508
   D223       0.00756  -0.00006   0.00044   0.00801   0.00845   0.01601
   D224      -3.13667   0.00022   0.00115   0.01219   0.01335  -3.12332
   D225      -3.11752   0.00019   0.00235   0.00629   0.00856  -3.10896
   D226      -0.01023  -0.00002  -0.00078  -0.01373  -0.01451  -0.02474
   D227       0.00092   0.00015   0.00032   0.00515   0.00545   0.00637
   D228      -3.13828  -0.00010  -0.00032   0.00136   0.00101  -3.13727
   D229      -0.00903  -0.00016  -0.00093  -0.01590  -0.01682  -0.02585
   D230       3.13104   0.00024   0.00081   0.01278   0.01356  -3.13859
   D231       0.01136   0.00011   0.00101   0.01749   0.01850   0.02986
   D232      -3.12878  -0.00027  -0.00066  -0.00996  -0.01064  -3.13942
   D233      -1.03281  -0.00073  -0.05129  -0.08592  -0.13723  -1.17003
   D234       1.05639  -0.00062  -0.04869  -0.08608  -0.13476   0.92163
   D235       3.14129  -0.00002  -0.05266  -0.08513  -0.13777   3.00352
   D236       3.09043   0.00001  -0.05230  -0.08426  -0.13657   2.95386
   D237      -1.10355   0.00012  -0.04969  -0.08442  -0.13411  -1.23766
   D238       0.98134   0.00072  -0.05366  -0.08346  -0.13712   0.84422
   D239       1.01517  -0.00006  -0.05225  -0.08123  -0.13350   0.88166
   D240       3.10437   0.00005  -0.04965  -0.08139  -0.13104   2.97333
   D241      -1.09392   0.00065  -0.05362  -0.08044  -0.13405  -1.22797
   D242       2.97441  -0.00022  -0.01789  -0.02918  -0.04706   2.92735
   D243      -1.23438  -0.00020  -0.01934  -0.02963  -0.04897  -1.28335
   D244       0.89347  -0.00025  -0.01671  -0.03334  -0.05005   0.84342
   D245      -1.12514   0.00025  -0.01828  -0.02354  -0.04182  -1.16695
   D246       0.94926   0.00027  -0.01972  -0.02400  -0.04372   0.90554
   D247       3.07711   0.00022  -0.01710  -0.02771  -0.04481   3.03230
   D248       0.94856   0.00025  -0.01758  -0.02876  -0.04634   0.90222
   D249       3.02296   0.00026  -0.01903  -0.02921  -0.04824   2.97471
   D250      -1.13238   0.00021  -0.01640  -0.03292  -0.04933  -1.18170
   D251       0.00582  -0.00004   0.00105   0.00639   0.00744   0.01326
   D252      -3.12711  -0.00011   0.00031   0.00105   0.00134  -3.12577
         Item               Value     Threshold  Converged?
 Maximum Force            0.004856     0.000450     NO 
 RMS     Force            0.000582     0.000300     NO 
 Maximum Displacement     2.474249     0.001800     NO 
 RMS     Displacement     0.295751     0.001200     NO 
 Predicted change in Energy=-2.517500D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.239616   -2.604345    1.079570
      2          6           0       -9.139643   -1.473900    0.051201
      3          6           0      -10.219846   -0.409856    0.268735
      4          6           0       -7.779838   -0.850011    0.091689
      5          7           0       -6.919299   -0.788082   -0.897050
      6          6           0       -5.719042   -0.128055   -0.523029
      7          6           0       -4.652165   -0.006885   -1.573548
      8          7           0       -4.184610    1.382399   -1.801528
      9          6           0       -5.197319    2.275431   -2.427830
     10          6           0       -3.290334    2.020721   -0.899349
     11          8           0       -3.110672    3.232547   -0.930675
     12          7           0       -2.581603    1.198257    0.023754
     13          6           0       -1.377033    1.795920    0.654457
     14          6           0       -0.128968    1.386200   -0.153315
     15          8           0       -0.015381    0.274783   -0.663473
     16          7           0        0.851655    2.352656   -0.304588
     17          6           0        2.101875    2.068147   -1.063237
     18          6           0        2.556470    3.355502   -1.791662
     19          6           0        2.875209    4.504693   -0.876300
     20          6           0        1.891438    5.462767   -0.583515
     21          6           0        2.183048    6.530258    0.269876
     22          6           0        3.455895    6.653044    0.834854
     23          6           0        4.441025    5.705973    0.537128
     24          6           0        4.155501    4.636578   -0.315871
     25          6           0        3.195485    1.506451   -0.134737
     26          6           0        2.938292    0.048573    0.256852
     27          8           0        2.234511    0.024358    1.520193
     28          6           0        4.250752   -0.730711    0.586741
     29          6           0        5.094119   -0.954697   -0.674413
     30          6           0        6.485171   -1.416090   -0.334098
     31          6           0        6.775575   -2.787852   -0.283814
     32          6           0        8.067056   -3.217152    0.026888
     33          6           0        9.076344   -2.283318    0.287939
     34          6           0        8.787883   -0.916611    0.240004
     35          6           0        7.495664   -0.479953   -0.068877
     36          7           0        3.901748   -2.007593    1.276891
     37          6           0        3.332477   -3.024115    0.501969
     38          8           0        3.637045   -3.428557   -0.600005
     39          8           0        2.368331   -3.661330    1.287513
     40          6           0        1.665190   -4.781368    0.671874
     41          6           0        0.530036   -4.245473   -0.108132
     42          6           0       -0.658151   -3.724968    0.334952
     43          7           0       -1.517635   -3.239790   -0.670748
     44          6           0       -1.000779   -3.392272   -1.871028
     45         16           0        0.609139   -4.111482   -1.840757
     46          6           0       -1.262178    1.319905    2.133228
     47          6           0       -1.106124   -0.194795    2.260345
     48          6           0       -0.104060    2.041748    2.825426
     49          6           0       -5.673045    0.314964    0.767415
     50         16           0       -7.162159   -0.069538    1.570755
     51          1           0      -10.197393   -3.130253    0.990434
     52          1           0       -8.443364   -3.346647    0.939371
     53          1           0       -9.167131   -2.239387    2.111168
     54          1           0       -9.283289   -1.917876   -0.975411
     55          1           0      -10.182608    0.021109    1.276399
     56          1           0      -10.119909    0.415521   -0.446770
     57          1           0      -11.220997   -0.837596    0.138177
     58          1           0       -3.785102   -0.656410   -1.302329
     59          1           0       -5.028422   -0.397737   -2.555221
     60          1           0       -5.436484    1.892405   -3.433723
     61          1           0       -4.781641    3.295832   -2.537708
     62          1           0       -6.125589    2.340806   -1.839023
     63          1           0       -2.476352    0.195845   -0.182870
     64          1           0       -1.498283    2.919699    0.647657
     65          1           0        0.817695    3.226738    0.216437
     66          1           0        1.852584    1.293126   -1.846592
     67          1           0        1.762584    3.653092   -2.513930
     68          1           0        3.433603    3.115786   -2.428282
     69          1           0        0.901231    5.386085   -1.031460
     70          1           0        1.415242    7.270946    0.491652
     71          1           0        3.681340    7.484748    1.499220
     72          1           0        5.436151    5.802917    0.969631
     73          1           0        4.931754    3.911240   -0.548502
     74          1           0        3.274769    2.117901    0.790013
     75          1           0        4.183173    1.601799   -0.632863
     76          1           0        2.327949   -0.484932   -0.508404
     77          1           0        1.250834   -0.049371    1.360576
     78          1           0        4.845541   -0.147329    1.344015
     79          1           0        4.602092   -1.701849   -1.340291
     80          1           0        5.133034   -0.013427   -1.264132
     81          1           0        5.980763   -3.512626   -0.480336
     82          1           0        8.288328   -4.282490    0.068222
     83          1           0       10.081210   -2.620971    0.529891
     84          1           0        9.570185   -0.188293    0.443800
     85          1           0        7.281054    0.584566   -0.100726
     86          1           0        3.336793   -1.787359    2.119181
     87          1           0        1.344215   -5.357883    1.564323
     88          1           0        2.380543   -5.380165    0.072452
     89          1           0       -0.992848   -3.650357    1.365167
     90          1           0       -1.473479   -3.093570   -2.798875
     91          1           0       -2.219005    1.617167    2.637775
     92          1           0       -2.006255   -0.738922    1.943877
     93          1           0       -0.279308   -0.595544    1.647177
     94          1           0       -0.888807   -0.476040    3.297322
     95          1           0       -0.143673    1.885748    3.911478
     96          1           0        0.880749    1.673944    2.497257
     97          1           0       -0.128285    3.122713    2.658601
     98          1           0       -4.867524    0.827593    1.270353
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0722145      0.0285092      0.0222466
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3585.2650992058 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.247341127451     A.U. after   20 cycles
             Convg  =    0.9598D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000161681   -0.000211561    0.000259145
      2        6          -0.000042922    0.000099729    0.000138172
      3        6           0.000007596   -0.000104807    0.000251263
      4        6           0.000235947    0.000568414   -0.000925556
      5        7           0.000240299   -0.000514146    0.000513810
      6        6           0.000505049    0.000715383   -0.000205040
      7        6          -0.000027009   -0.000240949   -0.000884075
      8        7          -0.000660860   -0.001602055    0.000575078
      9        6          -0.000732523    0.000528677   -0.000128840
     10        6           0.000028483    0.001768047   -0.000675228
     11        8          -0.000097901   -0.000671395    0.000543675
     12        7          -0.001680477   -0.003545764    0.000653481
     13        6           0.001005278    0.000972095    0.000048252
     14        6           0.001899513    0.003576909   -0.001683057
     15        8          -0.000362143   -0.001872918    0.000195498
     16        7          -0.001299649   -0.000337103    0.000895845
     17        6           0.000920700   -0.000346627   -0.001273452
     18        6           0.000111719    0.000839634    0.000480378
     19        6          -0.000072441   -0.000292310    0.000030180
     20        6          -0.000114137   -0.000108977    0.000050780
     21        6           0.000177974    0.000135161   -0.000038825
     22        6          -0.000261148   -0.000056511    0.000057585
     23        6          -0.000011397    0.000050065   -0.000011407
     24        6           0.000179031    0.000086395   -0.000056633
     25        6          -0.000779867   -0.000875753   -0.000094250
     26        6          -0.000480677   -0.000674398    0.001135430
     27        8           0.002031734    0.000964072   -0.001267199
     28        6          -0.002092947   -0.002732463   -0.003020684
     29        6          -0.001213296   -0.002457453   -0.002481853
     30        6          -0.000148452   -0.000844492   -0.000554348
     31        6          -0.000021573    0.000132935    0.000126085
     32        6          -0.000244383    0.000004371    0.000140443
     33        6           0.000011708    0.000203660    0.000193741
     34        6           0.000397745    0.000008314   -0.000206072
     35        6          -0.000508637   -0.000152465    0.000142803
     36        7           0.007194248   -0.003996319   -0.002099383
     37        6          -0.001576740    0.009245349    0.003962639
     38        8           0.000861127    0.001964186    0.000665912
     39        8          -0.001686487    0.000761044   -0.001021927
     40        6           0.000889477    0.000244493    0.000418449
     41        6          -0.000729211   -0.000762386   -0.000403200
     42        6           0.000516644   -0.000035649   -0.000006014
     43        7           0.000533441    0.001357286    0.000375247
     44        6           0.000824273   -0.002125648   -0.000633215
     45       16          -0.000947911    0.000851329    0.000325489
     46        6           0.000366065    0.001297948   -0.000609976
     47        6          -0.003116197    0.001327319    0.000384304
     48        6          -0.000431083   -0.000639517   -0.000385613
     49        6           0.000182183   -0.000197153    0.000228995
     50       16          -0.000177479   -0.000380930    0.000864308
     51        1           0.000013881    0.000094012   -0.000030268
     52        1           0.000027015    0.000097982   -0.000112411
     53        1           0.000090036    0.000030099   -0.000109510
     54        1          -0.000082540    0.000002686   -0.000093871
     55        1           0.000017838   -0.000023449   -0.000086429
     56        1           0.000043718   -0.000024280   -0.000137404
     57        1          -0.000013116    0.000029655   -0.000033570
     58        1          -0.001078936    0.000854379    0.000394930
     59        1           0.000132002    0.000174189    0.000564583
     60        1           0.000113747   -0.000162867    0.000096608
     61        1           0.000135194   -0.000163521   -0.000128864
     62        1           0.000366406    0.000034460    0.000017562
     63        1          -0.000409448    0.000622959    0.000137725
     64        1           0.000267265    0.000269956    0.000053924
     65        1          -0.000062690   -0.000226796   -0.000782260
     66        1           0.000099093   -0.000316645    0.000092890
     67        1          -0.000108783   -0.000172474    0.000203087
     68        1          -0.000073777   -0.000117183    0.000091020
     69        1           0.000089192    0.000128662    0.000003150
     70        1          -0.000006668    0.000010819   -0.000019002
     71        1           0.000030620   -0.000004856    0.000001855
     72        1           0.000026434    0.000009537   -0.000009989
     73        1          -0.000026943    0.000004977    0.000037116
     74        1           0.000169624   -0.000057865   -0.000140546
     75        1           0.000700500    0.000096324    0.000381334
     76        1           0.000548866    0.000171604    0.000250566
     77        1          -0.001258228    0.000191264    0.000770444
     78        1           0.000010434   -0.000557237   -0.000121758
     79        1          -0.000306701    0.001217770   -0.001691859
     80        1          -0.000590757    0.000760801    0.000374997
     81        1          -0.000415387    0.000049501   -0.000066833
     82        1           0.000024310   -0.000039437   -0.000093195
     83        1          -0.000040903    0.000014702   -0.000046774
     84        1          -0.000046580   -0.000046073    0.000026923
     85        1           0.000102619    0.000127244   -0.000017604
     86        1          -0.000802583   -0.002966268    0.006218792
     87        1           0.000220801   -0.000060845   -0.000006277
     88        1           0.000112604   -0.000089742   -0.000212944
     89        1          -0.000048569   -0.000016800    0.000078331
     90        1           0.000117860    0.000187257   -0.000001155
     91        1           0.000281948    0.000194459   -0.000194093
     92        1           0.000428084   -0.001413224   -0.000165596
     93        1           0.000291833   -0.001142554   -0.001253680
     94        1           0.000930575    0.000898925    0.000984279
     95        1          -0.000153769   -0.000052277   -0.000146923
     96        1           0.000128822    0.000074468   -0.000069356
     97        1           0.000290981   -0.000489178    0.000103472
     98        1           0.000273072   -0.000128184   -0.000102554
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.009245349 RMS     0.001150828

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.011369849 RMS     0.001291053
 Search for a local minimum.
 Step number  37 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   37   36
 DE=  1.40D-03 DEPred=-2.52D-04 R=-5.54D+00
 Trust test=-5.54D+00 RLast= 8.35D-01 DXMaxT set to 1.05D+00
 Use linear search instead of GDIIS.
 Quartic linear search produced a step of -0.83965.
 Iteration  1 RMS(Cart)=  0.23063548 RMS(Int)=  0.00872959
 Iteration  2 RMS(Cart)=  0.02699936 RMS(Int)=  0.00013292
 Iteration  3 RMS(Cart)=  0.00030664 RMS(Int)=  0.00007945
 Iteration  4 RMS(Cart)=  0.00000012 RMS(Int)=  0.00007945
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89408   0.00001  -0.00013   0.00000  -0.00013   2.89395
    R2        2.07170   0.00007   0.00033   0.00000   0.00033   2.07203
    R3        2.07413  -0.00002   0.00012   0.00000   0.00012   2.07425
    R4        2.07237  -0.00007  -0.00025   0.00000  -0.00025   2.07212
    R5        2.89464   0.00009   0.00028   0.00000   0.00028   2.89493
    R6        2.82825  -0.00007  -0.00021   0.00000  -0.00021   2.82803
    R7        2.13102   0.00006  -0.00015   0.00000  -0.00015   2.13088
    R8        2.07225  -0.00002  -0.00016   0.00000  -0.00016   2.07209
    R9        2.07284   0.00014   0.00015   0.00000   0.00015   2.07298
   R10        2.07208   0.00001   0.00001   0.00000   0.00001   2.07210
   R11        2.47977  -0.00037  -0.00037   0.00000  -0.00037   2.47940
   R12        3.36897   0.00055   0.00057   0.00000   0.00057   3.36954
   R13        2.68324  -0.00017   0.00017   0.00000   0.00017   2.68340
   R14        2.83868   0.00114   0.00045   0.00000   0.00045   2.83913
   R15        2.57975   0.00068   0.00017   0.00000   0.00017   2.57993
   R16        2.80336   0.00096   0.00142   0.00000   0.00142   2.80477
   R17        2.11045   0.00116  -0.00013   0.00000  -0.00013   2.11032
   R18        2.11954  -0.00013   0.00045   0.00000   0.00045   2.11999
   R19        2.81267   0.00001   0.00181   0.00000   0.00181   2.81448
   R20        2.68654  -0.00089   0.00052   0.00000   0.00052   2.68706
   R21        2.08361  -0.00020  -0.00027   0.00000  -0.00027   2.08334
   R22        2.09247   0.00020   0.00034   0.00000   0.00034   2.09280
   R23        2.08098   0.00033   0.00036   0.00000   0.00036   2.08134
   R24        2.31581   0.00019  -0.00060   0.00000  -0.00060   2.31520
   R25        2.69302  -0.00097   0.00089   0.00000   0.00089   2.69391
   R26        2.80672  -0.00360  -0.00440   0.00000  -0.00440   2.80232
   R27        1.94431   0.00074   0.00123   0.00000   0.00123   1.94554
   R28        2.91412  -0.00198  -0.00132   0.00000  -0.00132   2.91280
   R29        2.94370  -0.00129  -0.00254   0.00000  -0.00254   2.94115
   R30        2.13600  -0.00011  -0.00005   0.00000  -0.00005   2.13594
   R31        2.32091  -0.00144  -0.00138   0.00000  -0.00138   2.31954
   R32        2.61749  -0.00054   0.00119   0.00000   0.00119   2.61868
   R33        2.81534  -0.00250  -0.00211   0.00000  -0.00211   2.81323
   R34        1.92403   0.00023   0.00024   0.00000   0.00024   1.92427
   R35        2.92422  -0.00096  -0.00020   0.00000  -0.00020   2.92402
   R36        2.91140   0.00001  -0.00203   0.00000  -0.00203   2.90937
   R37        2.13501  -0.00034  -0.00144   0.00000  -0.00144   2.13357
   R38        2.84096   0.00004  -0.00001   0.00000  -0.00001   2.84095
   R39        2.10472  -0.00027  -0.00029   0.00000  -0.00029   2.10443
   R40        2.09760   0.00001  -0.00024   0.00000  -0.00024   2.09736
   R41        2.65332  -0.00007  -0.00015   0.00000  -0.00015   2.65318
   R42        2.65278  -0.00020  -0.00011   0.00000  -0.00011   2.65266
   R43        2.64079  -0.00007  -0.00006   0.00000  -0.00006   2.64072
   R44        2.05889   0.00014   0.00012   0.00000   0.00012   2.05901
   R45        2.64185   0.00019   0.00028   0.00000   0.00028   2.64213
   R46        2.05913  -0.00001   0.00000   0.00000   0.00000   2.05913
   R47        2.64296  -0.00005  -0.00003   0.00000  -0.00003   2.64293
   R48        2.05619   0.00001  -0.00001   0.00000  -0.00001   2.05618
   R49        2.64071  -0.00008   0.00007   0.00000   0.00007   2.64078
   R50        2.05862  -0.00003  -0.00005   0.00000  -0.00005   2.05857
   R51        2.05520   0.00003  -0.00005   0.00000  -0.00005   2.05515
   R52        2.89375   0.00138  -0.00083   0.00000  -0.00083   2.89291
   R53        2.10034   0.00004   0.00106   0.00000   0.00106   2.10140
   R54        2.09815  -0.00080  -0.00187   0.00000  -0.00187   2.09628
   R55        2.73320  -0.00024  -0.00194   0.00000  -0.00194   2.73126
   R56        2.95104  -0.00022   0.00201   0.00000   0.00201   2.95304
   R57        2.10665   0.00022  -0.00018   0.00000  -0.00018   2.10647
   R58        1.88834  -0.00102  -0.00339   0.00000  -0.00339   1.88495
   R59        2.89810   0.00432   0.00345   0.00000   0.00345   2.90154
   R60        2.82104   0.00897  -0.00070   0.00000  -0.00070   2.82034
   R61        2.12758   0.00050  -0.00122   0.00000  -0.00122   2.12635
   R62        2.84322   0.00083   0.00049   0.00000   0.00049   2.84371
   R63        2.10746   0.00134   0.00185   0.00000   0.00185   2.10931
   R64        2.10029  -0.00072  -0.00131   0.00000  -0.00131   2.09899
   R65        2.65141   0.00058   0.00067   0.00000   0.00067   2.65208
   R66        2.65087   0.00006   0.00022   0.00000   0.00022   2.65109
   R67        2.63802   0.00013   0.00045   0.00000   0.00045   2.63846
   R68        2.06633  -0.00015  -0.00067   0.00000  -0.00067   2.06566
   R69        2.64485  -0.00018  -0.00035   0.00000  -0.00035   2.64450
   R70        2.05765  -0.00009   0.00002   0.00000   0.00002   2.05767
   R71        2.64115   0.00015   0.00035   0.00000   0.00035   2.64150
   R72        2.05477   0.00002   0.00019   0.00000   0.00019   2.05496
   R73        2.64285  -0.00026  -0.00033   0.00000  -0.00033   2.64252
   R74        2.05623   0.00005   0.00026   0.00000   0.00026   2.05648
   R75        2.05300  -0.00002   0.00014   0.00000   0.00014   2.05315
   R76        2.64419   0.01137  -0.00694   0.00000  -0.00694   2.63725
   R77        1.96125   0.00422  -0.00708   0.00000  -0.00708   1.95417
   R78        2.29170   0.00047  -0.00003   0.00000  -0.00003   2.29167
   R79        2.64069  -0.00085   0.00151   0.00000   0.00151   2.64219
   R80        2.75661  -0.00027  -0.00110   0.00000  -0.00110   2.75551
   R81        2.79281   0.00020   0.00120   0.00000   0.00120   2.79401
   R82        2.09739   0.00004   0.00146   0.00000   0.00146   2.09885
   R83        2.09546  -0.00010   0.00053   0.00000   0.00053   2.09600
   R84        2.59040   0.00076   0.00029   0.00000   0.00029   2.59069
   R85        3.28736   0.00011   0.00037   0.00000   0.00037   3.28773
   R86        2.66280   0.00009   0.00047   0.00000   0.00047   2.66327
   R87        2.05184   0.00004   0.00038   0.00000   0.00038   2.05221
   R88        2.48631  -0.00025  -0.00125   0.00000  -0.00125   2.48506
   R89        3.33258   0.00121   0.00299   0.00000   0.00299   3.33556
   R90        2.04717   0.00012  -0.00002   0.00000  -0.00002   2.04715
   R91        2.88753   0.00035  -0.00219   0.00000  -0.00219   2.88534
   R92        2.89161   0.00102   0.00096   0.00000   0.00096   2.89257
   R93        2.11991   0.00019  -0.00028   0.00000  -0.00028   2.11963
   R94        2.07566  -0.00095  -0.00083   0.00000  -0.00083   2.07483
   R95        2.08744  -0.00024  -0.00462   0.00000  -0.00462   2.08282
   R96        2.07151   0.00045   0.00121   0.00000   0.00121   2.07272
   R97        2.07476  -0.00013  -0.00054   0.00000  -0.00054   2.07422
   R98        2.08112  -0.00011   0.00003   0.00000   0.00003   2.08116
   R99        2.06742   0.00034   0.00053   0.00000   0.00053   2.06795
   R100       3.27891   0.00025   0.00043   0.00000   0.00043   3.27934
   R101       2.03933  -0.00002   0.00067   0.00000   0.00067   2.04000
    A1        1.93535  -0.00004   0.00034   0.00000   0.00034   1.93569
    A2        1.94559  -0.00009  -0.00021   0.00000  -0.00021   1.94537
    A3        1.96242  -0.00007  -0.00040   0.00000  -0.00040   1.96202
    A4        1.87442   0.00001  -0.00024   0.00000  -0.00024   1.87417
    A5        1.86907   0.00005  -0.00002   0.00000  -0.00002   1.86906
    A6        1.87264   0.00015   0.00055   0.00000   0.00055   1.87318
    A7        1.95126   0.00003   0.00009   0.00000   0.00009   1.95135
    A8        1.92713   0.00002   0.00006   0.00000   0.00006   1.92719
    A9        1.88849   0.00000  -0.00060   0.00000  -0.00060   1.88789
   A10        1.92550  -0.00003  -0.00011   0.00000  -0.00011   1.92538
   A11        1.88908   0.00003   0.00040   0.00000   0.00040   1.88949
   A12        1.88019  -0.00004   0.00016   0.00000   0.00016   1.88035
   A13        1.96011   0.00009  -0.00018   0.00000  -0.00018   1.95993
   A14        1.94530   0.00002   0.00018   0.00000   0.00018   1.94548
   A15        1.93477  -0.00004  -0.00007   0.00000  -0.00007   1.93469
   A16        1.87610  -0.00006   0.00003   0.00000   0.00003   1.87613
   A17        1.86892   0.00001   0.00045   0.00000   0.00045   1.86937
   A18        1.87450  -0.00002  -0.00041   0.00000  -0.00041   1.87409
   A19        2.20820  -0.00005  -0.00022   0.00000  -0.00022   2.20799
   A20        2.11733   0.00011   0.00046   0.00000   0.00046   2.11779
   A21        1.95762  -0.00006  -0.00021   0.00000  -0.00021   1.95740
   A22        1.95821   0.00051   0.00061   0.00000   0.00061   1.95883
   A23        2.04164  -0.00010  -0.00066   0.00000  -0.00066   2.04099
   A24        2.01344  -0.00043  -0.00044   0.00000  -0.00044   2.01300
   A25        2.22807   0.00053   0.00109   0.00000   0.00109   2.22916
   A26        1.98981   0.00003   0.00196   0.00000   0.00196   1.99177
   A27        1.91204   0.00010   0.00120   0.00000   0.00120   1.91324
   A28        1.92380  -0.00053  -0.00163   0.00000  -0.00163   1.92218
   A29        1.91484   0.00042  -0.00061   0.00000  -0.00061   1.91423
   A30        1.87294   0.00028  -0.00033   0.00000  -0.00033   1.87262
   A31        1.84453  -0.00033  -0.00085   0.00000  -0.00085   1.84368
   A32        1.99558  -0.00067  -0.00248   0.00000  -0.00248   1.99310
   A33        2.11908   0.00081  -0.00044   0.00000  -0.00044   2.11864
   A34        2.01046  -0.00010  -0.00065   0.00000  -0.00065   2.00981
   A35        1.89974   0.00007  -0.00058   0.00000  -0.00058   1.89916
   A36        1.91691   0.00014   0.00125   0.00000   0.00125   1.91816
   A37        1.96511   0.00015   0.00111   0.00000   0.00111   1.96623
   A38        1.88707  -0.00006  -0.00097   0.00000  -0.00097   1.88610
   A39        1.90241  -0.00016  -0.00065   0.00000  -0.00065   1.90176
   A40        1.89104  -0.00016  -0.00026   0.00000  -0.00026   1.89078
   A41        2.11764   0.00091   0.00162   0.00000   0.00162   2.11926
   A42        2.05417   0.00000   0.00067   0.00000   0.00067   2.05483
   A43        2.11105  -0.00091  -0.00233   0.00000  -0.00233   2.10873
   A44        2.03327   0.00029  -0.00426   0.00000  -0.00426   2.02902
   A45        2.07496  -0.00026  -0.00286   0.00000  -0.00285   2.07211
   A46        1.97617  -0.00015  -0.00273   0.00000  -0.00272   1.97345
   A47        1.90396  -0.00066  -0.00530   0.00000  -0.00530   1.89867
   A48        1.91766   0.00066  -0.00574   0.00000  -0.00574   1.91192
   A49        1.88653   0.00016  -0.00139   0.00000  -0.00140   1.88513
   A50        1.93521  -0.00203   0.00224   0.00000   0.00224   1.93745
   A51        1.92604   0.00163   0.00527   0.00000   0.00528   1.93132
   A52        1.89382   0.00031   0.00476   0.00000   0.00476   1.89858
   A53        2.13278  -0.00156  -0.00167   0.00000  -0.00167   2.13112
   A54        2.03176   0.00504   0.00200   0.00000   0.00200   2.03376
   A55        2.11832  -0.00342  -0.00016   0.00000  -0.00016   2.11816
   A56        2.11353  -0.00766  -0.00262   0.00000  -0.00261   2.11092
   A57        2.11707   0.00412   0.00280   0.00000   0.00280   2.11987
   A58        2.04039   0.00323  -0.00180   0.00000  -0.00180   2.03859
   A59        1.90431   0.00229  -0.00041   0.00000  -0.00041   1.90390
   A60        1.93736  -0.00337  -0.00011   0.00000  -0.00011   1.93726
   A61        1.87435  -0.00020  -0.00019   0.00000  -0.00019   1.87415
   A62        1.95894   0.00221  -0.00226   0.00000  -0.00226   1.95668
   A63        1.88507  -0.00057   0.00206   0.00000   0.00206   1.88713
   A64        1.90117  -0.00041   0.00107   0.00000   0.00107   1.90223
   A65        1.99501  -0.00007  -0.00014   0.00000  -0.00014   1.99487
   A66        1.89457   0.00004  -0.00085   0.00000  -0.00085   1.89372
   A67        1.89912   0.00003   0.00073   0.00000   0.00073   1.89986
   A68        1.91955  -0.00002  -0.00167   0.00000  -0.00167   1.91788
   A69        1.92490  -0.00003   0.00100   0.00000   0.00100   1.92590
   A70        1.82247   0.00006   0.00102   0.00000   0.00102   1.82350
   A71        2.09441  -0.00007  -0.00011   0.00000  -0.00011   2.09430
   A72        2.10396  -0.00003  -0.00029   0.00000  -0.00029   2.10367
   A73        2.08479   0.00010   0.00040   0.00000   0.00040   2.08519
   A74        2.09714  -0.00003  -0.00021   0.00000  -0.00021   2.09693
   A75        2.09790  -0.00003  -0.00037   0.00000  -0.00037   2.09752
   A76        2.08805   0.00006   0.00060   0.00000   0.00060   2.08864
   A77        2.09888  -0.00007  -0.00001   0.00000  -0.00001   2.09887
   A78        2.09037   0.00002   0.00006   0.00000   0.00006   2.09042
   A79        2.09393   0.00005  -0.00005   0.00000  -0.00005   2.09389
   A80        2.08956   0.00000   0.00005   0.00000   0.00005   2.08961
   A81        2.09732  -0.00003  -0.00003   0.00000  -0.00003   2.09729
   A82        2.09629   0.00003  -0.00001   0.00000  -0.00001   2.09627
   A83        2.09929  -0.00002  -0.00002   0.00000  -0.00002   2.09927
   A84        2.09284   0.00000   0.00010   0.00000   0.00010   2.09294
   A85        2.09105   0.00002  -0.00008   0.00000  -0.00008   2.09097
   A86        2.09664   0.00000  -0.00020   0.00000  -0.00020   2.09644
   A87        2.09776   0.00001  -0.00008   0.00000  -0.00008   2.09768
   A88        2.08877  -0.00001   0.00027   0.00000   0.00027   2.08904
   A89        1.96275  -0.00550   0.00034   0.00000   0.00034   1.96309
   A90        1.92997   0.00207  -0.00116   0.00000  -0.00116   1.92880
   A91        1.90685   0.00112  -0.00213   0.00000  -0.00213   1.90472
   A92        1.89966   0.00088  -0.00174   0.00000  -0.00174   1.89792
   A93        1.92399   0.00262   0.00317   0.00000   0.00317   1.92717
   A94        1.83649  -0.00083   0.00162   0.00000   0.00162   1.83811
   A95        1.89761  -0.00087  -0.01351   0.00000  -0.01352   1.88410
   A96        1.96921   0.00334  -0.00358   0.00000  -0.00358   1.96563
   A97        1.95200  -0.00064   0.00227   0.00000   0.00227   1.95426
   A98        1.78860   0.00018   0.01223   0.00000   0.01223   1.80083
   A99        1.90200  -0.00012   0.00252   0.00000   0.00253   1.90453
   A100       1.94586  -0.00190   0.00044   0.00000   0.00044   1.94631
   A101       1.91847   0.00026   0.00126   0.00000   0.00126   1.91973
   A102       1.94051  -0.00178  -0.00096   0.00000  -0.00096   1.93955
   A103       1.90499  -0.00362   0.00062   0.00000   0.00062   1.90562
   A104       1.90447   0.00243  -0.00114   0.00000  -0.00114   1.90333
   A105       1.96472   0.00571   0.00400   0.00000   0.00400   1.96873
   A106       1.91588  -0.00187  -0.00345   0.00000  -0.00345   1.91243
   A107       1.82943  -0.00083   0.00090   0.00000   0.00090   1.83033
   A108       1.94681   0.00012   0.00190   0.00000   0.00190   1.94871
   A109       1.92435   0.00113   0.00128   0.00000   0.00128   1.92563
   A110       1.90911   0.00006  -0.00140   0.00000  -0.00140   1.90771
   A111       1.91506  -0.00011   0.00546   0.00000   0.00547   1.92053
   A112       1.92554  -0.00058  -0.00330   0.00000  -0.00330   1.92225
   A113       1.84007  -0.00066  -0.00434   0.00000  -0.00434   1.83572
   A114       2.09357   0.00064   0.00112   0.00000   0.00112   2.09469
   A115       2.09916  -0.00034  -0.00079   0.00000  -0.00079   2.09837
   A116       2.09045  -0.00030  -0.00033   0.00000  -0.00033   2.09012
   A117       2.09454   0.00005  -0.00013   0.00000  -0.00013   2.09441
   A118       2.08421   0.00031   0.00191   0.00000   0.00191   2.08612
   A119       2.10439  -0.00035  -0.00176   0.00000  -0.00175   2.10264
   A120       2.09841  -0.00001   0.00020   0.00000   0.00020   2.09862
   A121       2.09132   0.00001  -0.00033   0.00000  -0.00033   2.09099
   A122       2.09345   0.00000   0.00013   0.00000   0.00013   2.09358
   A123       2.09119   0.00001  -0.00009   0.00000  -0.00009   2.09110
   A124       2.09526   0.00000   0.00036   0.00000   0.00036   2.09562
   A125       2.09674  -0.00001  -0.00027   0.00000  -0.00027   2.09647
   A126       2.09855   0.00006   0.00005   0.00000   0.00005   2.09860
   A127       2.09407  -0.00007  -0.00039   0.00000  -0.00039   2.09368
   A128       2.09057   0.00001   0.00033   0.00000   0.00033   2.09090
   A129       2.09322   0.00019   0.00030   0.00000   0.00030   2.09352
   A130       2.10141  -0.00026  -0.00068   0.00000  -0.00068   2.10073
   A131       2.08856   0.00007   0.00038   0.00000   0.00038   2.08894
   A132       2.04932   0.00586   0.04256   0.00000   0.04346   2.09278
   A133       1.89753   0.00068   0.04474   0.00000   0.04579   1.94332
   A134       1.96292  -0.00309   0.04153   0.00000   0.04264   2.00556
   A135       2.26966   0.00342   0.00199   0.00000   0.00200   2.27165
   A136       1.87618  -0.00121  -0.00161   0.00000  -0.00160   1.87457
   A137       2.13178  -0.00196   0.00124   0.00000   0.00125   2.13303
   A138       2.03248   0.00104  -0.00123   0.00000  -0.00123   2.03125
   A139       1.89079  -0.00233   0.00243   0.00000   0.00243   1.89322
   A140       1.77100   0.00101  -0.00084   0.00000  -0.00084   1.77016
   A141       1.90901   0.00052  -0.00007   0.00000  -0.00007   1.90894
   A142       1.97209  -0.00012  -0.00216   0.00000  -0.00216   1.96992
   A143       1.98889   0.00085  -0.00012   0.00000  -0.00012   1.98876
   A144       1.91849   0.00004   0.00079   0.00000   0.00079   1.91928
   A145       2.25605  -0.00080  -0.00067   0.00000  -0.00066   2.25539
   A146       2.11609   0.00090   0.00086   0.00000   0.00087   2.11696
   A147       1.90933  -0.00010   0.00074   0.00000   0.00075   1.91008
   A148       2.01391   0.00034  -0.00051   0.00000  -0.00051   2.01339
   A149       2.21427  -0.00025  -0.00084   0.00000  -0.00084   2.21343
   A150       2.05501  -0.00009   0.00135   0.00000   0.00135   2.05636
   A151       1.95152  -0.00031   0.00095   0.00000   0.00095   1.95247
   A152       1.97167   0.00034  -0.00023   0.00000  -0.00021   1.97146
   A153       2.18705  -0.00022   0.00145   0.00000   0.00146   2.18852
   A154       2.12409  -0.00009  -0.00091   0.00000  -0.00089   2.12320
   A155       1.57779  -0.00024  -0.00055   0.00000  -0.00055   1.57724
   A156       1.97080  -0.00145  -0.00648   0.00000  -0.00648   1.96432
   A157       1.91887   0.00041   0.00212   0.00000   0.00212   1.92099
   A158       1.85782   0.00026  -0.00031   0.00000  -0.00031   1.85751
   A159       1.93125   0.00044   0.00335   0.00000   0.00335   1.93460
   A160       1.88848   0.00071   0.00166   0.00000   0.00166   1.89014
   A161       1.89345  -0.00034  -0.00033   0.00000  -0.00033   1.89312
   A162       1.96428  -0.00128  -0.00386   0.00000  -0.00386   1.96042
   A163       1.97131  -0.00220  -0.00355   0.00000  -0.00355   1.96776
   A164       1.93186   0.00164   0.00281   0.00000   0.00281   1.93468
   A165       1.84808   0.00168   0.00251   0.00000   0.00251   1.85059
   A166       1.88380  -0.00053   0.00016   0.00000   0.00016   1.88397
   A167       1.85838   0.00082   0.00232   0.00000   0.00232   1.86070
   A168       1.93172   0.00017  -0.00007   0.00000  -0.00007   1.93165
   A169       1.96542  -0.00018   0.00126   0.00000   0.00126   1.96668
   A170       1.96099   0.00025  -0.00056   0.00000  -0.00056   1.96043
   A171       1.85415  -0.00003   0.00064   0.00000   0.00064   1.85479
   A172       1.86547  -0.00029  -0.00165   0.00000  -0.00165   1.86383
   A173       1.88005   0.00005   0.00030   0.00000   0.00030   1.88035
   A174       1.91433   0.00016   0.00023   0.00000   0.00023   1.91456
   A175       2.23934   0.00007   0.00025   0.00000   0.00025   2.23959
   A176       2.12950  -0.00023  -0.00050   0.00000  -0.00050   2.12900
   A177       1.58104  -0.00017  -0.00010   0.00000  -0.00010   1.58095
    D1        1.08672   0.00005  -0.00538   0.00000  -0.00538   1.08135
    D2       -3.04569   0.00004  -0.00542   0.00000  -0.00542  -3.05111
    D3       -0.99194   0.00000  -0.00554   0.00000  -0.00554  -0.99748
    D4       -3.10898  -0.00002  -0.00560   0.00000  -0.00560  -3.11458
    D5       -0.95822  -0.00003  -0.00564   0.00000  -0.00564  -0.96385
    D6        1.09554  -0.00007  -0.00576   0.00000  -0.00576   1.08978
    D7       -1.00524   0.00005  -0.00532   0.00000  -0.00532  -1.01057
    D8        1.14552   0.00005  -0.00537   0.00000  -0.00537   1.14016
    D9       -3.08390   0.00000  -0.00549   0.00000  -0.00549  -3.08939
   D10        0.99786   0.00002   0.00411   0.00000   0.00411   1.00198
   D11        3.10425   0.00002   0.00415   0.00000   0.00415   3.10839
   D12       -1.09194  -0.00002   0.00371   0.00000   0.00371  -1.08824
   D13       -1.15383   0.00000   0.00405   0.00000   0.00405  -1.14978
   D14        0.95255   0.00000   0.00409   0.00000   0.00409   0.95664
   D15        3.03955  -0.00005   0.00365   0.00000   0.00365   3.04320
   D16        3.07617   0.00005   0.00368   0.00000   0.00368   3.07985
   D17       -1.10063   0.00005   0.00372   0.00000   0.00372  -1.09691
   D18        0.98637   0.00001   0.00328   0.00000   0.00328   0.98964
   D19        2.09349  -0.00012  -0.00328   0.00000  -0.00328   2.09021
   D20       -1.05826   0.00005   0.00202   0.00000   0.00202  -1.05625
   D21       -2.02403  -0.00010  -0.00321   0.00000  -0.00321  -2.02724
   D22        1.10740   0.00008   0.00209   0.00000   0.00209   1.10949
   D23        0.03463  -0.00011  -0.00269   0.00000  -0.00269   0.03194
   D24       -3.11712   0.00006   0.00261   0.00000   0.00261  -3.11451
   D25       -3.14048   0.00001   0.00134   0.00000   0.00134  -3.13914
   D26        0.01049  -0.00015  -0.00355   0.00000  -0.00355   0.00694
   D27        3.13645   0.00012   0.00115   0.00000   0.00115   3.13760
   D28       -0.01396   0.00027   0.00575   0.00000   0.00575  -0.00821
   D29        3.13312  -0.00011  -0.00225   0.00000  -0.00225   3.13087
   D30       -0.00011  -0.00009  -0.00140   0.00000  -0.00140  -0.00151
   D31        2.19636  -0.00027   0.00960   0.00000   0.00960   2.20596
   D32       -1.93366   0.00038   0.01114   0.00000   0.01114  -1.92252
   D33        0.08892  -0.00026   0.00987   0.00000   0.00987   0.09878
   D34       -0.95478  -0.00029   0.00862   0.00000   0.00862  -0.94616
   D35        1.19838   0.00035   0.01016   0.00000   0.01016   1.20854
   D36       -3.06222  -0.00029   0.00889   0.00000   0.00889  -3.05334
   D37       -0.01044   0.00029   0.00570   0.00000   0.00570  -0.00474
   D38        3.12838   0.00014   0.00017   0.00000   0.00017   3.12855
   D39        3.14057   0.00032   0.00667   0.00000   0.00667  -3.13595
   D40       -0.00380   0.00016   0.00114   0.00000   0.00114  -0.00266
   D41       -1.19141   0.00022   0.00360   0.00000   0.00360  -1.18782
   D42        1.34717   0.00020  -0.00272   0.00000  -0.00272   1.34445
   D43        2.94013  -0.00025   0.00107   0.00000   0.00107   2.94120
   D44       -0.80447  -0.00027  -0.00525   0.00000  -0.00525  -0.80972
   D45        0.94418  -0.00023   0.00256   0.00000   0.00256   0.94674
   D46       -2.80042  -0.00024  -0.00376   0.00000  -0.00376  -2.80418
   D47       -1.10585   0.00018  -0.01531   0.00000  -0.01531  -1.12116
   D48        3.11445   0.00012  -0.01451   0.00000  -0.01452   3.09994
   D49        1.00554   0.00013  -0.01581   0.00000  -0.01581   0.98973
   D50        2.60008  -0.00015  -0.00953   0.00000  -0.00953   2.59056
   D51        0.53720  -0.00021  -0.00873   0.00000  -0.00873   0.52847
   D52       -1.57171  -0.00020  -0.01003   0.00000  -0.01003  -1.58174
   D53       -2.88544   0.00032   0.01098   0.00000   0.01098  -2.87447
   D54        0.28324   0.00029   0.01265   0.00000   0.01265   0.29589
   D55       -0.35161   0.00013   0.00402   0.00000   0.00402  -0.34759
   D56        2.81707   0.00009   0.00569   0.00000   0.00569   2.82276
   D57        2.82466  -0.00014  -0.00389   0.00000  -0.00389   2.82076
   D58        0.36187   0.00008   0.01154   0.00000   0.01154   0.37341
   D59       -0.28996  -0.00020  -0.00229   0.00000  -0.00229  -0.29225
   D60       -2.75274   0.00002   0.01314   0.00000   0.01314  -2.73960
   D61       -1.65440  -0.00116  -0.01360   0.00000  -0.01360  -1.66800
   D62        2.50396   0.00136  -0.00944   0.00000  -0.00944   2.49452
   D63        0.44028   0.00052  -0.01112   0.00000  -0.01111   0.42916
   D64        0.84590  -0.00142  -0.02818   0.00000  -0.02818   0.81772
   D65       -1.27892   0.00110  -0.02402   0.00000  -0.02402  -1.30294
   D66        2.94058   0.00026  -0.02569   0.00000  -0.02570   2.91489
   D67       -0.64338   0.00026  -0.00154   0.00000  -0.00154  -0.64492
   D68        2.47102   0.00293   0.00710   0.00000   0.00711   2.47812
   D69        1.47078  -0.00064  -0.01070   0.00000  -0.01070   1.46008
   D70       -1.69801   0.00202  -0.00206   0.00000  -0.00206  -1.70006
   D71       -2.71352  -0.00050   0.00028   0.00000   0.00028  -2.71324
   D72        0.40087   0.00216   0.00892   0.00000   0.00892   0.40979
   D73        1.07363  -0.00006   0.03826   0.00000   0.03826   1.11189
   D74       -3.04344  -0.00022   0.03954   0.00000   0.03954  -3.00391
   D75       -0.99600  -0.00027   0.04007   0.00000   0.04007  -0.95593
   D76       -1.03243   0.00165   0.04719   0.00000   0.04719  -0.98525
   D77        1.13367   0.00149   0.04846   0.00000   0.04846   1.18214
   D78       -3.10207   0.00144   0.04900   0.00000   0.04900  -3.05307
   D79        3.13281   0.00070   0.03607   0.00000   0.03608  -3.11430
   D80       -0.98427   0.00053   0.03735   0.00000   0.03735  -0.94692
   D81        1.06317   0.00049   0.03789   0.00000   0.03789   1.10106
   D82        3.13944  -0.00307  -0.01098   0.00000  -0.01098   3.12846
   D83        0.17016  -0.00118   0.00016   0.00000   0.00015   0.17031
   D84       -0.02911  -0.00039  -0.00243   0.00000  -0.00243  -0.03154
   D85       -2.99839   0.00149   0.00870   0.00000   0.00870  -2.98969
   D86        2.54819   0.00136  -0.04726   0.00000  -0.04725   2.50094
   D87       -1.56733   0.00348  -0.05048   0.00000  -0.05048  -1.61780
   D88        0.50912   0.00094  -0.04936   0.00000  -0.04936   0.45976
   D89       -0.75844  -0.00030  -0.05744   0.00000  -0.05744  -0.81588
   D90        1.40922   0.00182  -0.06066   0.00000  -0.06066   1.34856
   D91       -2.79751  -0.00072  -0.05955   0.00000  -0.05955  -2.85706
   D92        1.07079  -0.00062   0.00873   0.00000   0.00873   1.07952
   D93       -1.07887  -0.00057   0.01164   0.00000   0.01164  -1.06723
   D94       -3.05227  -0.00068   0.01050   0.00000   0.01050  -3.04177
   D95       -1.08411   0.00053   0.01070   0.00000   0.01070  -1.07341
   D96        3.04941   0.00058   0.01362   0.00000   0.01362   3.06303
   D97        1.07601   0.00047   0.01248   0.00000   0.01248   1.08849
   D98        3.10304   0.00006   0.00941   0.00000   0.00941   3.11244
   D99        0.95338   0.00011   0.01232   0.00000   0.01232   0.96570
   D100      -1.02003   0.00000   0.01118   0.00000   0.01118  -1.00884
   D101       1.30544  -0.00283  -0.02938   0.00000  -0.02938   1.27606
   D102      -0.82218  -0.00161  -0.02653   0.00000  -0.02653  -0.84871
   D103      -2.83552  -0.00242  -0.02661   0.00000  -0.02661  -2.86213
   D104      -2.84147  -0.00073  -0.03159   0.00000  -0.03160  -2.87307
   D105       1.31410   0.00049  -0.02875   0.00000  -0.02875   1.28535
   D106      -0.69924  -0.00033  -0.02883   0.00000  -0.02883  -0.72807
   D107      -0.75482  -0.00034  -0.02973   0.00000  -0.02973  -0.78455
   D108      -2.88243   0.00088  -0.02689   0.00000  -0.02689  -2.90932
   D109       1.38741   0.00007  -0.02697   0.00000  -0.02697   1.36045
   D110      -1.64418   0.00001   0.01914   0.00000   0.01914  -1.62505
   D111       1.50572   0.00000   0.01939   0.00000   0.01939   1.52511
   D112       0.49192  -0.00001   0.01664   0.00000   0.01664   0.50856
   D113      -2.64136  -0.00002   0.01690   0.00000   0.01690  -2.62447
   D114       2.49279   0.00004   0.01749   0.00000   0.01749   2.51027
   D115      -0.64050   0.00003   0.01774   0.00000   0.01774  -0.62275
   D116       3.13848   0.00001   0.00060   0.00000   0.00060   3.13908
   D117      -0.01846   0.00002   0.00138   0.00000   0.00138  -0.01708
   D118      -0.01133   0.00002   0.00034   0.00000   0.00034  -0.01099
   D119       3.11491   0.00002   0.00113   0.00000   0.00113   3.11604
   D120      -3.13817  -0.00001  -0.00087   0.00000  -0.00087  -3.13905
   D121       0.01068  -0.00001  -0.00055   0.00000  -0.00055   0.01013
   D122       0.01168  -0.00002  -0.00062   0.00000  -0.00062   0.01106
   D123      -3.12265  -0.00002  -0.00029   0.00000  -0.00029  -3.12295
   D124       0.00257  -0.00001   0.00019   0.00000   0.00019   0.00276
   D125       3.14008  -0.00001   0.00024   0.00000   0.00024   3.14032
   D126      -3.12376  -0.00001  -0.00059   0.00000  -0.00059  -3.12435
   D127       0.01375  -0.00002  -0.00053   0.00000  -0.00053   0.01322
   D128       0.00589   0.00000  -0.00044   0.00000  -0.00044   0.00546
   D129      -3.14148   0.00000  -0.00014   0.00000  -0.00014   3.14156
   D130      -3.13161   0.00000  -0.00050   0.00000  -0.00050  -3.13210
   D131       0.00420   0.00001  -0.00020   0.00000  -0.00020   0.00400
   D132      -0.00554   0.00000   0.00016   0.00000   0.00016  -0.00538
   D133       3.13343   0.00001   0.00019   0.00000   0.00019   3.13361
   D134      -3.14135   0.00000  -0.00014   0.00000  -0.00014  -3.14149
   D135      -0.00239   0.00000  -0.00011   0.00000  -0.00011  -0.00250
   D136      -0.00329   0.00001   0.00037   0.00000   0.00037  -0.00292
   D137       3.13109   0.00001   0.00005   0.00000   0.00005   3.13113
   D138       3.14093   0.00000   0.00034   0.00000   0.00034   3.14127
   D139      -0.00788   0.00001   0.00002   0.00000   0.00002  -0.00786
   D140      -1.64454   0.00040  -0.00825   0.00000  -0.00825  -1.65279
   D141       2.66697  -0.00112  -0.01307   0.00000  -0.01307   2.65391
   D142       0.45653  -0.00073  -0.01262   0.00000  -0.01262   0.44392
   D143       0.50019  -0.00004  -0.01074   0.00000  -0.01074   0.48944
   D144      -1.47149  -0.00156  -0.01556   0.00000  -0.01556  -1.48705
   D145       2.60126  -0.00117  -0.01511   0.00000  -0.01511   2.58615
   D146       2.50609   0.00089  -0.00804   0.00000  -0.00805   2.49805
   D147       0.53442  -0.00062  -0.01286   0.00000  -0.01286   0.52156
   D148      -1.67602  -0.00023  -0.01241   0.00000  -0.01241  -1.68843
   D149       1.66680  -0.00100   0.14618   0.00000   0.14617   1.81298
   D150      -2.52825   0.00252   0.14222   0.00000   0.14223  -2.38602
   D151      -0.46491   0.00039   0.15018   0.00000   0.15018  -0.31473
   D152      -1.20949   0.00156  -0.01314   0.00000  -0.01314  -1.22264
   D153       2.89603  -0.00192  -0.01803   0.00000  -0.01803   2.87799
   D154       0.90617  -0.00030  -0.01882   0.00000  -0.01882   0.88735
   D155       3.03625   0.00095  -0.00266   0.00000  -0.00266   3.03359
   D156       0.85858  -0.00253  -0.00755   0.00000  -0.00755   0.85103
   D157      -1.13127  -0.00091  -0.00833   0.00000  -0.00833  -1.13961
   D158       1.00421   0.00183  -0.01261   0.00000  -0.01261   0.99161
   D159      -1.17346  -0.00165  -0.01750   0.00000  -0.01749  -1.19095
   D160       3.11987  -0.00003  -0.01828   0.00000  -0.01828   3.10159
   D161       2.91521   0.00032   0.00194   0.00000   0.00194   2.91714
   D162      -1.23565   0.00106   0.01113   0.00000   0.01113  -1.22451
   D163       0.78015   0.00094   0.00581   0.00000   0.00581   0.78596
   D164      -1.22432  -0.00156   0.00496   0.00000   0.00496  -1.21936
   D165       0.90801  -0.00083   0.01416   0.00000   0.01416   0.92217
   D166       2.92381  -0.00095   0.00883   0.00000   0.00883   2.93264
   D167       0.80624  -0.00033   0.00627   0.00000   0.00627   0.81252
   D168       2.93858   0.00041   0.01547   0.00000   0.01547   2.95405
   D169      -1.32881   0.00029   0.01015   0.00000   0.01015  -1.31867
   D170       1.27127  -0.00215   0.00770   0.00000   0.00755   1.27882
   D171      -0.98153  -0.00344  -0.15331   0.00000  -0.15316  -1.13469
   D172      -0.89217  -0.00119   0.00567   0.00000   0.00553  -0.88665
   D173       3.13821  -0.00248  -0.15534   0.00000  -0.15519   2.98302
   D174      -2.97381  -0.00147   0.00714   0.00000   0.00699  -2.96682
   D175       1.05658  -0.00276  -0.15387   0.00000  -0.15372   0.90285
   D176       1.62517   0.00076   0.04021   0.00000   0.04021   1.66537
   D177      -1.51858   0.00067   0.03808   0.00000   0.03808  -1.48050
   D178      -0.51250  -0.00068   0.03343   0.00000   0.03343  -0.47907
   D179       2.62694  -0.00077   0.03130   0.00000   0.03131   2.65825
   D180      -2.53244   0.00051   0.03743   0.00000   0.03742  -2.49501
   D181       0.60700   0.00043   0.03530   0.00000   0.03530   0.64230
   D182       3.13739  -0.00006  -0.00065   0.00000  -0.00065   3.13674
   D183      -0.01427   0.00007   0.00223   0.00000   0.00223  -0.01204
   D184      -0.00206   0.00003   0.00147   0.00000   0.00147  -0.00059
   D185       3.12946   0.00016   0.00435   0.00000   0.00435   3.13381
   D186      -3.13588   0.00003   0.00011   0.00000   0.00011  -3.13576
   D187       0.00682   0.00004  -0.00031   0.00000  -0.00031   0.00651
   D188       0.00357  -0.00005  -0.00201   0.00000  -0.00201   0.00156
   D189      -3.13692  -0.00005  -0.00243   0.00000  -0.00243  -3.13936
   D190      -0.00101   0.00002   0.00002   0.00000   0.00002  -0.00099
   D191       3.13817   0.00006   0.00102   0.00000   0.00102   3.13919
   D192      -3.13241  -0.00012  -0.00291   0.00000  -0.00291  -3.13532
   D193       0.00677  -0.00007  -0.00191   0.00000  -0.00191   0.00486
   D194       0.00257  -0.00003  -0.00098   0.00000  -0.00098   0.00159
   D195       3.14133   0.00003   0.00038   0.00000   0.00038  -3.14148
   D196      -3.13661  -0.00008  -0.00198   0.00000  -0.00198  -3.13859
   D197       0.00216  -0.00002  -0.00062   0.00000  -0.00062   0.00153
   D198      -0.00105   0.00001   0.00044   0.00000   0.00044  -0.00061
   D199       3.14017   0.00002   0.00082   0.00000   0.00082   3.14099
   D200      -3.13981  -0.00006  -0.00092   0.00000  -0.00092  -3.14073
   D201       0.00141  -0.00004  -0.00054   0.00000  -0.00054   0.00087
   D202      -0.00202   0.00004   0.00105   0.00000   0.00105  -0.00097
   D203       3.13848   0.00003   0.00147   0.00000   0.00147   3.13996
   D204       3.13995   0.00002   0.00067   0.00000   0.00067   3.14062
   D205      -0.00274   0.00001   0.00110   0.00000   0.00110  -0.00164
   D206       0.76595  -0.00281  -0.15457   0.00000  -0.15444   0.61152
   D207      -2.48929  -0.00049  -0.13629   0.00000  -0.13616  -2.62545
   D208       2.98750   0.00054   0.01338   0.00000   0.01324   3.00075
   D209      -0.26774   0.00287   0.03166   0.00000   0.03152  -0.23622
   D210      -3.12149  -0.00470  -0.03380   0.00000  -0.03380   3.12790
   D211      -0.08262  -0.00218  -0.01721   0.00000  -0.01721  -0.09983
   D212      -1.48572  -0.00084  -0.02906   0.00000  -0.02906  -1.51478
   D213       2.71787  -0.00023  -0.02721   0.00000  -0.02721   2.69066
   D214       0.69155  -0.00098  -0.02766   0.00000  -0.02766   0.66389
   D215      -1.28212  -0.00036   0.12307   0.00000   0.12307  -1.15905
   D216       1.78956  -0.00037   0.14671   0.00000   0.14671   1.93628
   D217       0.66575  -0.00057   0.12235   0.00000   0.12235   0.78810
   D218      -2.54575  -0.00058   0.14599   0.00000   0.14599  -2.39976
   D219       2.87199   0.00011   0.12147   0.00000   0.12147   2.99346
   D220      -0.33951   0.00010   0.14511   0.00000   0.14511  -0.19440
   D221       3.09424  -0.00018   0.01434   0.00000   0.01434   3.10859
   D222      -0.04508  -0.00021   0.01022   0.00000   0.01022  -0.03486
   D223       0.01601  -0.00021  -0.00709   0.00000  -0.00709   0.00892
   D224      -3.12332  -0.00023  -0.01121   0.00000  -0.01121  -3.13453
   D225      -3.10896   0.00065  -0.00719   0.00000  -0.00718  -3.11614
   D226      -0.02474   0.00060   0.01218   0.00000   0.01218  -0.01256
   D227       0.00637  -0.00048  -0.00458   0.00000  -0.00458   0.00180
   D228      -3.13727  -0.00045  -0.00085   0.00000  -0.00085  -3.13812
   D229      -0.02585   0.00093   0.01412   0.00000   0.01412  -0.01173
   D230      -3.13859  -0.00016  -0.01138   0.00000  -0.01138   3.13322
   D231       0.02986  -0.00090  -0.01553   0.00000  -0.01553   0.01432
   D232      -3.13942   0.00014   0.00893   0.00000   0.00894  -3.13048
   D233      -1.17003   0.00011   0.11522   0.00000   0.11522  -1.05481
   D234       0.92163  -0.00021   0.11315   0.00000   0.11315   1.03478
   D235       3.00352   0.00050   0.11568   0.00000   0.11568   3.11920
   D236       2.95386   0.00031   0.11467   0.00000   0.11467   3.06853
   D237      -1.23766  -0.00001   0.11260   0.00000   0.11260  -1.12506
   D238       0.84422   0.00070   0.11513   0.00000   0.11513   0.95935
   D239       0.88166   0.00003   0.11209   0.00000   0.11210   0.99376
   D240       2.97333  -0.00029   0.11003   0.00000   0.11003   3.08336
   D241      -1.22797   0.00042   0.11255   0.00000   0.11255  -1.11542
   D242       2.92735   0.00063   0.03952   0.00000   0.03952   2.96686
   D243      -1.28335   0.00060   0.04111   0.00000   0.04111  -1.24223
   D244       0.84342   0.00072   0.04203   0.00000   0.04203   0.88545
   D245      -1.16695  -0.00062   0.03511   0.00000   0.03511  -1.13184
   D246       0.90554  -0.00066   0.03671   0.00000   0.03671   0.94225
   D247       3.03230  -0.00054   0.03762   0.00000   0.03762   3.06993
   D248       0.90222   0.00029   0.03891   0.00000   0.03891   0.94113
   D249       2.97471   0.00026   0.04051   0.00000   0.04051   3.01522
   D250      -1.18170   0.00037   0.04142   0.00000   0.04142  -1.14028
   D251       0.01326  -0.00031  -0.00625   0.00000  -0.00625   0.00701
   D252      -3.12577  -0.00017  -0.00113   0.00000  -0.00113  -3.12690
         Item               Value     Threshold  Converged?
 Maximum Force            0.011370     0.000450     NO 
 RMS     Force            0.001291     0.000300     NO 
 Maximum Displacement     2.059703     0.001800     NO 
 RMS     Displacement     0.248645     0.001200     NO 
 Predicted change in Energy=-1.920377D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.230513   -2.631766    0.688110
      2          6           0       -9.137815   -1.395430   -0.210842
      3          6           0      -10.216093   -0.361990    0.129933
      4          6           0       -7.777693   -0.779015   -0.112320
      5          7           0       -6.923451   -0.611891   -1.094051
      6          6           0       -5.719553    0.003300   -0.659816
      7          6           0       -4.658949    0.232383   -1.698975
      8          7           0       -4.178332    1.634507   -1.776252
      9          6           0       -5.190875    2.599572   -2.287717
     10          6           0       -3.273171    2.161229   -0.814412
     11          8           0       -3.088502    3.367376   -0.704384
     12          7           0       -2.556201    1.235386   -0.001406
     13          6           0       -1.344065    1.757665    0.674621
     14          6           0       -0.111254    1.421689   -0.187453
     15          8           0       -0.016425    0.366255   -0.806880
     16          7           0        0.882643    2.385412   -0.248265
     17          6           0        2.123353    2.156775   -1.038565
     18          6           0        2.556447    3.488394   -1.696917
     19          6           0        2.889738    4.581648   -0.720282
     20          6           0        1.902015    5.500563   -0.331423
     21          6           0        2.207571    6.516176    0.578480
     22          6           0        3.498330    6.625855    1.104544
     23          6           0        4.486858    5.717919    0.711490
     24          6           0        4.187340    4.700234   -0.198152
     25          6           0        3.235180    1.556856   -0.158666
     26          6           0        2.977735    0.088525    0.189575
     27          8           0        2.317178    0.044631    1.474367
     28          6           0        4.297359   -0.710157    0.439932
     29          6           0        5.080241   -0.908828   -0.865892
     30          6           0        6.481125   -1.392687   -0.605295
     31          6           0        6.770144   -2.765187   -0.653222
     32          6           0        8.071242   -3.213298   -0.417098
     33          6           0        9.091253   -2.298200   -0.133349
     34          6           0        8.804493   -0.930975   -0.084619
     35          6           0        7.503326   -0.475499   -0.318965
     36          7           0        3.969791   -1.997915    1.119502
     37          6           0        3.363239   -3.029201    0.401051
     38          8           0        3.505006   -3.365121   -0.755541
     39          8           0        2.584737   -3.763920    1.300525
     40          6           0        1.843033   -4.890149    0.745827
     41          6           0        0.544714   -4.393557    0.242032
     42          6           0       -0.514458   -3.873498    0.939999
     43          7           0       -1.604584   -3.448277    0.154473
     44          6           0       -1.388330   -3.640300   -1.128371
     45         16           0        0.194425   -4.347057   -1.461498
     46          6           0       -1.223935    1.123883    2.091041
     47          6           0       -1.024391   -0.389035    2.040486
     48          6           0       -0.093121    1.796578    2.873171
     49          6           0       -5.665255    0.306797    0.670153
     50         16           0       -7.146841   -0.167395    1.439237
     51          1           0      -10.191357   -3.142479    0.553205
     52          1           0       -8.438841   -3.356265    0.457494
     53          1           0       -9.144871   -2.382236    1.752421
     54          1           0       -9.289104   -1.724933   -1.278572
     55          1           0      -10.168499   -0.041056    1.177335
     56          1           0      -10.123850    0.535255   -0.494405
     57          1           0      -11.218392   -0.774626   -0.035755
     58          1           0       -3.796026   -0.451096   -1.511066
     59          1           0       -5.047501   -0.043410   -2.714610
     60          1           0       -5.432659    2.341211   -3.331843
     61          1           0       -4.773819    3.625432   -2.275520
     62          1           0       -6.118556    2.595650   -1.694026
     63          1           0       -2.447574    0.266708   -0.332771
     64          1           0       -1.460308    2.876507    0.785261
     65          1           0        0.870626    3.200473    0.362003
     66          1           0        1.869888    1.424937   -1.860086
     67          1           0        1.744177    3.825443   -2.380113
     68          1           0        3.419455    3.293204   -2.366951
     69          1           0        0.897333    5.433720   -0.747760
     70          1           0        1.436641    7.226787    0.875164
     71          1           0        3.734638    7.417243    1.812914
     72          1           0        5.495474    5.805039    1.113706
     73          1           0        4.965777    4.005393   -0.504698
     74          1           0        3.339514    2.135017    0.785484
     75          1           0        4.209046    1.666324   -0.678433
     76          1           0        2.333835   -0.413393   -0.569387
     77          1           0        1.345876   -0.146614    1.352093
     78          1           0        4.932822   -0.147360    1.178551
     79          1           0        4.545696   -1.626371   -1.533196
     80          1           0        5.104823    0.048537   -1.428549
     81          1           0        5.969330   -3.477103   -0.869428
     82          1           0        8.291455   -4.279068   -0.452868
     83          1           0       10.103648   -2.650280    0.050004
     84          1           0        9.595743   -0.217282    0.136378
     85          1           0        7.290189    0.589056   -0.277334
     86          1           0        3.579678   -1.836715    2.063531
     87          1           0        1.738381   -5.544883    1.636863
     88          1           0        2.461617   -5.394611   -0.024298
     89          1           0       -0.592128   -3.762039    2.017453
     90          1           0       -2.082453   -3.399811   -1.924554
     91          1           0       -2.192776    1.333952    2.615763
     92          1           0       -1.860048   -0.903691    1.548243
     93          1           0       -0.117876   -0.680986    1.485690
     94          1           0       -0.920588   -0.803070    3.050859
     95          1           0       -0.112156    1.486427    3.925897
     96          1           0        0.904715    1.529976    2.490926
     97          1           0       -0.173107    2.887920    2.863670
     98          1           0       -4.855834    0.762457    1.220224
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0709064      0.0285885      0.0219857
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3575.5738115207 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.248776502418     A.U. after   20 cycles
             Convg  =    0.8333D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000152673   -0.000090037    0.000234512
      2        6           0.000120440    0.000119999    0.000065543
      3        6          -0.000096953   -0.000001290    0.000183750
      4        6           0.000122611    0.000259563   -0.000379219
      5        7          -0.000221863   -0.000361094    0.000088822
      6        6           0.000634789    0.000450792   -0.000015013
      7        6          -0.000309985   -0.000406810   -0.000989767
      8        7           0.000107511   -0.001083205    0.000559882
      9        6          -0.000968709    0.000519205    0.000018649
     10        6           0.000022710    0.001766968   -0.000557564
     11        8           0.000339958   -0.000536768    0.000103149
     12        7          -0.000221207   -0.000646098   -0.000290041
     13        6           0.000267047   -0.000411247   -0.000502726
     14        6           0.000272922    0.001538557   -0.000167743
     15        8          -0.000312029   -0.000815105   -0.000342979
     16        7          -0.000426112   -0.000048822    0.001132444
     17        6           0.001052522   -0.000548961   -0.001545141
     18        6           0.000136524    0.000799145    0.000131586
     19        6          -0.000157502   -0.000153295    0.000056290
     20        6          -0.000067899   -0.000228800    0.000054585
     21        6           0.000128990    0.000090296   -0.000026567
     22        6          -0.000222707   -0.000020312    0.000044869
     23        6          -0.000012695    0.000040146   -0.000008934
     24        6           0.000151376    0.000028375   -0.000064641
     25        6          -0.001165272   -0.001107629   -0.000242064
     26        6          -0.000835746   -0.000045996    0.001396426
     27        8           0.000568641    0.000995132   -0.000077043
     28        6           0.000309719   -0.000020136   -0.000747835
     29        6          -0.000608988   -0.001105859   -0.001027798
     30        6           0.000155324   -0.000070900   -0.000274133
     31        6           0.000413962    0.000171535   -0.000054321
     32        6          -0.000138829    0.000074031    0.000101464
     33        6           0.000014090    0.000130694    0.000100434
     34        6           0.000318324    0.000033210   -0.000126693
     35        6          -0.000451945   -0.000134594    0.000208599
     36        7           0.001537661   -0.002265459   -0.000473827
     37        6           0.000736933    0.002538002    0.001084154
     38        8          -0.000420013    0.000879235    0.000012874
     39        8          -0.000837910    0.000245044   -0.000414079
     40        6           0.000545613   -0.000023057    0.000510392
     41        6          -0.000735192    0.000214243   -0.000265770
     42        6           0.000220615    0.000335063   -0.000020272
     43        7           0.000145381   -0.000271319    0.000087319
     44        6          -0.000004338    0.000055005    0.000089410
     45       16          -0.000013313   -0.000151811   -0.000006595
     46        6           0.000111905   -0.000255750   -0.000596551
     47        6          -0.002420543   -0.000679188    0.001501752
     48        6           0.000059979   -0.000365787   -0.000353386
     49        6          -0.000060095    0.000015228    0.000353634
     50       16          -0.000091814   -0.000282863    0.000351927
     51        1          -0.000028991    0.000019176   -0.000063486
     52        1           0.000056062    0.000026174   -0.000061979
     53        1           0.000082995   -0.000000068    0.000003580
     54        1          -0.000022831   -0.000013822   -0.000161078
     55        1           0.000053278   -0.000041796   -0.000050975
     56        1           0.000009292   -0.000036257   -0.000087251
     57        1          -0.000006537    0.000011501   -0.000010417
     58        1          -0.000288369    0.000417040    0.000046477
     59        1           0.000210624    0.000073830    0.000372214
     60        1           0.000047529   -0.000075920    0.000085023
     61        1           0.000043981   -0.000126908    0.000044769
     62        1           0.000178105   -0.000029234    0.000072878
     63        1           0.000268016    0.000180895    0.000313048
     64        1          -0.000261138   -0.000265552    0.000227618
     65        1           0.000145788   -0.000020081   -0.000598656
     66        1          -0.000122357    0.000090471   -0.000202073
     67        1          -0.000113698   -0.000055991    0.000055250
     68        1          -0.000038274   -0.000118099    0.000128202
     69        1           0.000096223    0.000097235   -0.000007835
     70        1          -0.000021470    0.000018520   -0.000015340
     71        1           0.000033201    0.000027528   -0.000001540
     72        1           0.000054350    0.000014919   -0.000009946
     73        1          -0.000005794    0.000002378    0.000055509
     74        1           0.000116671   -0.000029478   -0.000093576
     75        1           0.000314876   -0.000066498    0.000323858
     76        1           0.000143764    0.000145931    0.000244878
     77        1           0.000341863    0.000222605    0.000018693
     78        1           0.000063786   -0.000637244    0.000094103
     79        1          -0.000044037    0.000706310   -0.000354206
     80        1          -0.000320651    0.000597507    0.000008396
     81        1          -0.000162132   -0.000240140   -0.000044887
     82        1           0.000005021   -0.000051849   -0.000057226
     83        1          -0.000001857    0.000028618   -0.000022496
     84        1          -0.000017929   -0.000028388    0.000011782
     85        1           0.000097248    0.000078595   -0.000009430
     86        1          -0.000239670   -0.000616586    0.001523428
     87        1           0.000248979   -0.000044432   -0.000168215
     88        1           0.000109766   -0.000039429   -0.000120221
     89        1          -0.000035495   -0.000151346   -0.000048214
     90        1          -0.000003822   -0.000186207   -0.000129956
     91        1           0.000400099    0.000124031    0.000023231
     92        1           0.000481044    0.000176455    0.000860799
     93        1          -0.000784361   -0.000268050   -0.001148326
     94        1           0.000978769    0.001152651    0.000266319
     95        1          -0.000162888   -0.000004313   -0.000032677
     96        1           0.000163284    0.000029449   -0.000103030
     97        1           0.000194025   -0.000195206    0.000003464
     98        1           0.000202446   -0.000066203   -0.000082246
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002538002 RMS     0.000492812

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005301777 RMS     0.000664660
 Search for a local minimum.
 Step number  38 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   36   38
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00050   0.00141   0.00146   0.00208   0.00320
     Eigenvalues ---    0.00351   0.00411   0.00510   0.00580   0.00645
     Eigenvalues ---    0.00718   0.00756   0.00812   0.00857   0.00929
     Eigenvalues ---    0.00956   0.01022   0.01136   0.01180   0.01211
     Eigenvalues ---    0.01266   0.01344   0.01379   0.01412   0.01422
     Eigenvalues ---    0.01446   0.01492   0.01539   0.01613   0.01675
     Eigenvalues ---    0.01684   0.01752   0.01926   0.01973   0.02037
     Eigenvalues ---    0.02098   0.02194   0.02194   0.02203   0.02220
     Eigenvalues ---    0.02257   0.02267   0.02273   0.02292   0.02310
     Eigenvalues ---    0.02328   0.02371   0.02405   0.02408   0.02414
     Eigenvalues ---    0.02449   0.02482   0.02485   0.02527   0.02528
     Eigenvalues ---    0.02658   0.02689   0.02764   0.02971   0.03170
     Eigenvalues ---    0.03430   0.04005   0.04045   0.04137   0.04176
     Eigenvalues ---    0.04268   0.04402   0.04574   0.04765   0.04831
     Eigenvalues ---    0.04916   0.04959   0.05043   0.05136   0.05210
     Eigenvalues ---    0.05228   0.05330   0.05363   0.05430   0.05458
     Eigenvalues ---    0.05536   0.05654   0.05672   0.05691   0.05720
     Eigenvalues ---    0.05823   0.05835   0.05909   0.05971   0.06074
     Eigenvalues ---    0.06244   0.06497   0.06624   0.06656   0.06911
     Eigenvalues ---    0.07139   0.07491   0.07540   0.08147   0.08541
     Eigenvalues ---    0.08708   0.09385   0.09732   0.09849   0.10345
     Eigenvalues ---    0.11940   0.12880   0.13118   0.13178   0.13420
     Eigenvalues ---    0.13718   0.13748   0.13980   0.14332   0.15463
     Eigenvalues ---    0.15653   0.15759   0.15942   0.15952   0.15972
     Eigenvalues ---    0.15985   0.15992   0.15998   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16003   0.16007
     Eigenvalues ---    0.16013   0.16031   0.16045   0.16062   0.16077
     Eigenvalues ---    0.16110   0.16163   0.16275   0.16638   0.16890
     Eigenvalues ---    0.17186   0.17630   0.17976   0.18066   0.18340
     Eigenvalues ---    0.18683   0.19137   0.19713   0.20207   0.21291
     Eigenvalues ---    0.21529   0.21786   0.21886   0.22000   0.22001
     Eigenvalues ---    0.22002   0.22024   0.22119   0.22183   0.22522
     Eigenvalues ---    0.22611   0.22905   0.23451   0.23485   0.23656
     Eigenvalues ---    0.23673   0.23779   0.24239   0.24583   0.24624
     Eigenvalues ---    0.24880   0.25005   0.25015   0.25050   0.25114
     Eigenvalues ---    0.25366   0.25538   0.25669   0.26871   0.29039
     Eigenvalues ---    0.29284   0.29684   0.29768   0.29928   0.30117
     Eigenvalues ---    0.30225   0.30381   0.30504   0.30745   0.30956
     Eigenvalues ---    0.31300   0.31337   0.31431   0.31474   0.31503
     Eigenvalues ---    0.31624   0.31663   0.31776   0.32000   0.32132
     Eigenvalues ---    0.32317   0.32420   0.32566   0.32608   0.32708
     Eigenvalues ---    0.32777   0.32845   0.32890   0.32960   0.33030
     Eigenvalues ---    0.33037   0.33066   0.33156   0.33217   0.33275
     Eigenvalues ---    0.33342   0.33510   0.33561   0.33590   0.33673
     Eigenvalues ---    0.33693   0.33845   0.33965   0.33994   0.34097
     Eigenvalues ---    0.34174   0.34244   0.34330   0.34374   0.34415
     Eigenvalues ---    0.34492   0.34584   0.34672   0.34766   0.35334
     Eigenvalues ---    0.36216   0.36256   0.36313   0.36376   0.36382
     Eigenvalues ---    0.36637   0.36844   0.36963   0.37508   0.38097
     Eigenvalues ---    0.38739   0.39222   0.39986   0.41048   0.41254
     Eigenvalues ---    0.41726   0.42514   0.42937   0.43011   0.43334
     Eigenvalues ---    0.43802   0.44250   0.45122   0.46077   0.47491
     Eigenvalues ---    0.48291   0.48424   0.48465   0.48591   0.48861
     Eigenvalues ---    0.49161   0.49913   0.50106   0.50134   0.50981
     Eigenvalues ---    0.51259   0.51410   0.54182   0.56365   0.58420
     Eigenvalues ---    0.59667   0.62859   0.65168   0.75776   0.78384
     Eigenvalues ---    0.81915   0.83714   1.973851000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-6.58699640D-04 EMin= 5.00481070D-04
 Quartic linear search produced a step of -0.08532.
 Iteration  1 RMS(Cart)=  0.19329295 RMS(Int)=  0.00189208
 Iteration  2 RMS(Cart)=  0.00661112 RMS(Int)=  0.00002929
 Iteration  3 RMS(Cart)=  0.00000811 RMS(Int)=  0.00002908
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002908
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89395   0.00010   0.00000   0.00081   0.00080   2.89476
    R2        2.07203  -0.00002   0.00001  -0.00024  -0.00023   2.07180
    R3        2.07425  -0.00005   0.00000  -0.00023  -0.00023   2.07402
    R4        2.07212   0.00002   0.00000   0.00019   0.00019   2.07231
    R5        2.89493  -0.00002   0.00000  -0.00048  -0.00048   2.89445
    R6        2.82803   0.00002   0.00000   0.00062   0.00061   2.82865
    R7        2.13088   0.00009   0.00000   0.00043   0.00043   2.13131
    R8        2.07209   0.00001   0.00000   0.00026   0.00026   2.07235
    R9        2.07298   0.00009   0.00000   0.00048   0.00049   2.07347
   R10        2.07210   0.00000   0.00000   0.00025   0.00025   2.07234
   R11        2.47940  -0.00002  -0.00001  -0.00091  -0.00091   2.47849
   R12        3.36954   0.00031   0.00001   0.00250   0.00252   3.37205
   R13        2.68340  -0.00036   0.00000   0.00084   0.00084   2.68425
   R14        2.83913   0.00069   0.00001   0.00388   0.00389   2.84301
   R15        2.57993   0.00036   0.00000  -0.00056  -0.00056   2.57937
   R16        2.80477  -0.00005   0.00002  -0.00131  -0.00129   2.80348
   R17        2.11032   0.00031   0.00000   0.00095   0.00095   2.11126
   R18        2.11999  -0.00013   0.00001   0.00022   0.00023   2.12022
   R19        2.81448  -0.00069   0.00003  -0.00181  -0.00178   2.81270
   R20        2.68706  -0.00093   0.00001  -0.00413  -0.00412   2.68294
   R21        2.08334  -0.00011   0.00000  -0.00072  -0.00072   2.08262
   R22        2.09280   0.00008   0.00001   0.00070   0.00070   2.09351
   R23        2.08134   0.00019   0.00001   0.00163   0.00164   2.08298
   R24        2.31520   0.00046  -0.00001   0.00227   0.00226   2.31746
   R25        2.69391  -0.00010   0.00001  -0.00406  -0.00405   2.68986
   R26        2.80232   0.00005  -0.00007  -0.00281  -0.00288   2.79944
   R27        1.94554   0.00012   0.00002  -0.00206  -0.00204   1.94350
   R28        2.91280  -0.00059  -0.00002   0.00077   0.00075   2.91355
   R29        2.94115   0.00052  -0.00004   0.00310   0.00306   2.94421
   R30        2.13594  -0.00003   0.00000  -0.00022  -0.00022   2.13573
   R31        2.31954  -0.00062  -0.00002  -0.00010  -0.00013   2.31941
   R32        2.61868  -0.00067   0.00002   0.00077   0.00079   2.61947
   R33        2.81323  -0.00102  -0.00003  -0.00171  -0.00174   2.81148
   R34        1.92427   0.00007   0.00000   0.00088   0.00089   1.92516
   R35        2.92402  -0.00061   0.00000  -0.00254  -0.00255   2.92147
   R36        2.90937   0.00037  -0.00003   0.00137   0.00133   2.91070
   R37        2.13357   0.00014  -0.00002  -0.00103  -0.00105   2.13252
   R38        2.84095   0.00008   0.00000   0.00059   0.00059   2.84154
   R39        2.10443  -0.00013   0.00000  -0.00161  -0.00162   2.10281
   R40        2.09736  -0.00004   0.00000   0.00112   0.00111   2.09848
   R41        2.65318   0.00004   0.00000  -0.00030  -0.00030   2.65287
   R42        2.65266  -0.00015   0.00000  -0.00024  -0.00024   2.65242
   R43        2.64072  -0.00009   0.00000   0.00005   0.00005   2.64077
   R44        2.05901   0.00013   0.00000  -0.00004  -0.00004   2.05898
   R45        2.64213   0.00009   0.00000   0.00011   0.00011   2.64224
   R46        2.05913  -0.00002   0.00000  -0.00010  -0.00010   2.05903
   R47        2.64293  -0.00009   0.00000   0.00003   0.00003   2.64297
   R48        2.05618  -0.00002   0.00000   0.00013   0.00013   2.05631
   R49        2.64078  -0.00008   0.00000  -0.00029  -0.00029   2.64049
   R50        2.05857  -0.00005   0.00000  -0.00007  -0.00008   2.05849
   R51        2.05515   0.00001   0.00000   0.00023   0.00023   2.05538
   R52        2.89291   0.00154  -0.00001  -0.00001  -0.00002   2.89289
   R53        2.10140   0.00002   0.00002  -0.00072  -0.00070   2.10070
   R54        2.09628  -0.00042  -0.00003  -0.00324  -0.00327   2.09301
   R55        2.73126   0.00010  -0.00003  -0.00062  -0.00066   2.73061
   R56        2.95304  -0.00103   0.00003  -0.00293  -0.00290   2.95015
   R57        2.10647   0.00011   0.00000   0.00115   0.00115   2.10762
   R58        1.88495   0.00041  -0.00006   0.00132   0.00127   1.88622
   R59        2.90154   0.00155   0.00006   0.00345   0.00350   2.90505
   R60        2.82034   0.00172  -0.00001   0.00791   0.00790   2.82824
   R61        2.12635   0.00061  -0.00002   0.00235   0.00233   2.12868
   R62        2.84371  -0.00026   0.00001  -0.00151  -0.00150   2.84221
   R63        2.10931   0.00072   0.00003   0.00538   0.00541   2.11472
   R64        2.09899  -0.00027  -0.00002  -0.00389  -0.00392   2.09507
   R65        2.65208  -0.00012   0.00001   0.00030   0.00031   2.65239
   R66        2.65109  -0.00002   0.00000  -0.00024  -0.00024   2.65085
   R67        2.63846   0.00004   0.00001   0.00019   0.00019   2.63866
   R68        2.06566  -0.00029  -0.00001  -0.00105  -0.00106   2.06460
   R69        2.64450  -0.00010  -0.00001  -0.00017  -0.00018   2.64432
   R70        2.05767  -0.00007   0.00000  -0.00047  -0.00047   2.05719
   R71        2.64150   0.00014   0.00001   0.00041   0.00041   2.64192
   R72        2.05496  -0.00001   0.00000   0.00000   0.00000   2.05497
   R73        2.64252  -0.00024  -0.00001  -0.00078  -0.00078   2.64174
   R74        2.05648   0.00003   0.00000   0.00009   0.00010   2.05658
   R75        2.05315   0.00000   0.00000  -0.00002  -0.00001   2.05313
   R76        2.63725   0.00341  -0.00011   0.01076   0.01065   2.64790
   R77        1.95417   0.00117  -0.00012   0.00377   0.00366   1.95783
   R78        2.29167   0.00076   0.00000   0.00074   0.00074   2.29241
   R79        2.64219  -0.00059   0.00002  -0.00109  -0.00107   2.64113
   R80        2.75551  -0.00020  -0.00002   0.00027   0.00026   2.75576
   R81        2.79401  -0.00028   0.00002   0.00008   0.00010   2.79412
   R82        2.09885  -0.00016   0.00002  -0.00049  -0.00046   2.09839
   R83        2.09600  -0.00007   0.00001  -0.00121  -0.00120   2.09480
   R84        2.59069   0.00019   0.00000   0.00045   0.00046   2.59115
   R85        3.28773  -0.00014   0.00001  -0.00002  -0.00001   3.28772
   R86        2.66327  -0.00016   0.00001  -0.00026  -0.00026   2.66301
   R87        2.05221   0.00005   0.00001   0.00045   0.00046   2.05267
   R88        2.48506   0.00007  -0.00002   0.00060   0.00058   2.48564
   R89        3.33556   0.00016   0.00005  -0.00008  -0.00003   3.33553
   R90        2.04715   0.00000   0.00000   0.00021   0.00021   2.04736
   R91        2.88534   0.00188  -0.00004   0.00474   0.00471   2.89005
   R92        2.89257   0.00031   0.00002   0.00045   0.00047   2.89304
   R93        2.11963   0.00038   0.00000   0.00070   0.00070   2.12032
   R94        2.07483   0.00034  -0.00001   0.00449   0.00448   2.07931
   R95        2.08282   0.00102  -0.00008   0.00154   0.00147   2.08429
   R96        2.07272  -0.00011   0.00002  -0.00182  -0.00180   2.07092
   R97        2.07422  -0.00005  -0.00001  -0.00013  -0.00014   2.07408
   R98        2.08116  -0.00014   0.00000  -0.00041  -0.00041   2.08075
   R99        2.06795   0.00021   0.00001   0.00064   0.00065   2.06860
   R100       3.27934   0.00003   0.00001   0.00269   0.00270   3.28204
   R101       2.04000  -0.00005   0.00001  -0.00035  -0.00034   2.03966
    A1        1.93569  -0.00008   0.00001  -0.00085  -0.00085   1.93485
    A2        1.94537  -0.00004   0.00000  -0.00011  -0.00011   1.94526
    A3        1.96202   0.00002  -0.00001  -0.00095  -0.00096   1.96106
    A4        1.87417   0.00002   0.00000   0.00026   0.00026   1.87443
    A5        1.86906   0.00002   0.00000   0.00097   0.00097   1.87003
    A6        1.87318   0.00006   0.00001   0.00081   0.00082   1.87400
    A7        1.95135   0.00001   0.00000   0.00086   0.00086   1.95221
    A8        1.92719   0.00001   0.00000  -0.00318  -0.00318   1.92401
    A9        1.88789   0.00005  -0.00001   0.00067   0.00066   1.88855
   A10        1.92538  -0.00001   0.00000   0.00363   0.00363   1.92901
   A11        1.88949  -0.00001   0.00001  -0.00090  -0.00089   1.88860
   A12        1.88035  -0.00005   0.00000  -0.00117  -0.00117   1.87918
   A13        1.95993   0.00011   0.00000   0.00286   0.00286   1.96279
   A14        1.94548  -0.00002   0.00000   0.00026   0.00027   1.94575
   A15        1.93469  -0.00003   0.00000  -0.00056  -0.00056   1.93413
   A16        1.87613  -0.00005   0.00000  -0.00114  -0.00115   1.87498
   A17        1.86937  -0.00002   0.00001  -0.00168  -0.00167   1.86770
   A18        1.87409   0.00000  -0.00001   0.00006   0.00006   1.87414
   A19        2.20799  -0.00002   0.00000   0.00158   0.00154   2.20953
   A20        2.11779   0.00004   0.00001  -0.00085  -0.00087   2.11691
   A21        1.95740  -0.00002   0.00000  -0.00067  -0.00071   1.95669
   A22        1.95883   0.00018   0.00001   0.00180   0.00180   1.96063
   A23        2.04099  -0.00014  -0.00001  -0.00454  -0.00455   2.03644
   A24        2.01300  -0.00012  -0.00001  -0.00103  -0.00105   2.01194
   A25        2.22916   0.00026   0.00002   0.00554   0.00556   2.23472
   A26        1.99177   0.00008   0.00003   0.00021   0.00024   1.99201
   A27        1.91324  -0.00003   0.00002   0.00319   0.00321   1.91644
   A28        1.92218  -0.00034  -0.00003  -0.00690  -0.00692   1.91525
   A29        1.91423   0.00021  -0.00001   0.00274   0.00272   1.91695
   A30        1.87262   0.00018  -0.00001   0.00382   0.00381   1.87642
   A31        1.84368  -0.00011  -0.00001  -0.00340  -0.00341   1.84026
   A32        1.99310  -0.00045  -0.00004   0.00268   0.00247   1.99557
   A33        2.11864   0.00056  -0.00001   0.00794   0.00780   2.12644
   A34        2.00981  -0.00007  -0.00001   0.00595   0.00578   2.01558
   A35        1.89916   0.00006  -0.00001   0.00118   0.00117   1.90032
   A36        1.91816  -0.00004   0.00002   0.00179   0.00181   1.91997
   A37        1.96623   0.00001   0.00002  -0.00061  -0.00059   1.96563
   A38        1.88610   0.00005  -0.00002   0.00110   0.00108   1.88718
   A39        1.90176  -0.00003  -0.00001  -0.00019  -0.00020   1.90156
   A40        1.89078  -0.00005   0.00000  -0.00322  -0.00322   1.88756
   A41        2.11926   0.00009   0.00003   0.00028   0.00016   2.11942
   A42        2.05483   0.00022   0.00001   0.00276   0.00263   2.05746
   A43        2.10873  -0.00031  -0.00004  -0.00225  -0.00243   2.10630
   A44        2.02902   0.00052  -0.00007   0.00976   0.00942   2.03844
   A45        2.07211  -0.00031  -0.00005   0.00994   0.00961   2.08172
   A46        1.97345  -0.00004  -0.00005   0.00585   0.00550   1.97895
   A47        1.89867   0.00003  -0.00009  -0.00244  -0.00252   1.89615
   A48        1.91192   0.00120  -0.00009  -0.00069  -0.00078   1.91114
   A49        1.88513  -0.00010  -0.00002   0.00435   0.00432   1.88946
   A50        1.93745  -0.00180   0.00004   0.00203   0.00207   1.93952
   A51        1.93132   0.00098   0.00009  -0.00030  -0.00022   1.93110
   A52        1.89858  -0.00026   0.00008  -0.00287  -0.00279   1.89579
   A53        2.13112   0.00003  -0.00003   0.00264   0.00261   2.13373
   A54        2.03376   0.00158   0.00003  -0.00024  -0.00021   2.03355
   A55        2.11816  -0.00158   0.00000  -0.00239  -0.00240   2.11576
   A56        2.11092  -0.00345  -0.00004   0.00017   0.00011   2.11103
   A57        2.11987   0.00171   0.00005   0.00142   0.00145   2.12132
   A58        2.03859   0.00147  -0.00003   0.00038   0.00032   2.03892
   A59        1.90390   0.00196  -0.00001   0.00544   0.00543   1.90933
   A60        1.93726  -0.00400   0.00000  -0.00084  -0.00085   1.93640
   A61        1.87415   0.00060   0.00000  -0.00267  -0.00269   1.87147
   A62        1.95668   0.00258  -0.00004   0.00159   0.00155   1.95823
   A63        1.88713  -0.00094   0.00003   0.00102   0.00106   1.88818
   A64        1.90223  -0.00022   0.00002  -0.00472  -0.00470   1.89753
   A65        1.99487  -0.00013   0.00000   0.00171   0.00171   1.99658
   A66        1.89372   0.00010  -0.00001   0.00167   0.00165   1.89537
   A67        1.89986  -0.00001   0.00001  -0.00089  -0.00088   1.89897
   A68        1.91788   0.00005  -0.00003  -0.00028  -0.00031   1.91757
   A69        1.92590  -0.00002   0.00002  -0.00284  -0.00282   1.92308
   A70        1.82350   0.00002   0.00002   0.00059   0.00061   1.82411
   A71        2.09430   0.00006   0.00000   0.00026   0.00026   2.09456
   A72        2.10367  -0.00007   0.00000  -0.00026  -0.00026   2.10340
   A73        2.08519   0.00001   0.00001  -0.00001   0.00000   2.08519
   A74        2.09693   0.00000   0.00000   0.00018   0.00017   2.09710
   A75        2.09752  -0.00002  -0.00001   0.00008   0.00007   2.09760
   A76        2.08864   0.00002   0.00001  -0.00025  -0.00024   2.08840
   A77        2.09887  -0.00005   0.00000  -0.00030  -0.00030   2.09857
   A78        2.09042   0.00001   0.00000   0.00004   0.00005   2.09047
   A79        2.09389   0.00004   0.00000   0.00026   0.00026   2.09414
   A80        2.08961   0.00001   0.00000   0.00011   0.00011   2.08972
   A81        2.09729  -0.00004   0.00000  -0.00031  -0.00031   2.09698
   A82        2.09627   0.00003   0.00000   0.00020   0.00020   2.09648
   A83        2.09927   0.00000   0.00000  -0.00009  -0.00009   2.09918
   A84        2.09294  -0.00002   0.00000  -0.00026  -0.00026   2.09268
   A85        2.09097   0.00002   0.00000   0.00035   0.00035   2.09133
   A86        2.09644   0.00003   0.00000   0.00012   0.00011   2.09656
   A87        2.09768  -0.00001   0.00000   0.00012   0.00012   2.09780
   A88        2.08904  -0.00002   0.00000  -0.00023  -0.00023   2.08881
   A89        1.96309  -0.00530   0.00001  -0.00630  -0.00631   1.95678
   A90        1.92880   0.00121  -0.00002  -0.00147  -0.00151   1.92729
   A91        1.90472   0.00198  -0.00003   0.00275   0.00272   1.90744
   A92        1.89792   0.00144  -0.00003  -0.00139  -0.00144   1.89648
   A93        1.92717   0.00184   0.00005   0.00245   0.00251   1.92967
   A94        1.83811  -0.00085   0.00003   0.00469   0.00471   1.84283
   A95        1.88410  -0.00026  -0.00022  -0.00429  -0.00451   1.87959
   A96        1.96563   0.00208  -0.00006   0.00519   0.00514   1.97076
   A97        1.95426  -0.00062   0.00004  -0.00278  -0.00276   1.95150
   A98        1.80083  -0.00012   0.00020   0.00084   0.00105   1.80188
   A99        1.90453  -0.00026   0.00004  -0.00107  -0.00104   1.90348
   A100       1.94631  -0.00082   0.00001   0.00196   0.00197   1.94827
   A101       1.91973   0.00001   0.00002   0.00077   0.00079   1.92052
   A102       1.93955   0.00009  -0.00002  -0.00120  -0.00122   1.93832
   A103       1.90562  -0.00194   0.00001  -0.00030  -0.00030   1.90532
   A104       1.90333   0.00067  -0.00002   0.00019   0.00017   1.90350
   A105       1.96873   0.00155   0.00007   0.00619   0.00626   1.97498
   A106       1.91243  -0.00045  -0.00006  -0.00390  -0.00395   1.90848
   A107       1.83033   0.00008   0.00001  -0.00111  -0.00109   1.82924
   A108       1.94871  -0.00017   0.00003  -0.00102  -0.00099   1.94772
   A109       1.92563   0.00019   0.00002   0.00214   0.00216   1.92780
   A110       1.90771   0.00045  -0.00002   0.00577   0.00574   1.91345
   A111       1.92053  -0.00011   0.00009  -0.00145  -0.00136   1.91917
   A112       1.92225  -0.00006  -0.00005   0.00261   0.00255   1.92479
   A113       1.83572  -0.00029  -0.00007  -0.00835  -0.00842   1.82730
   A114       2.09469  -0.00046   0.00002  -0.00308  -0.00306   2.09163
   A115       2.09837   0.00044  -0.00001   0.00301   0.00299   2.10136
   A116       2.09012   0.00002  -0.00001   0.00007   0.00007   2.09019
   A117       2.09441   0.00004   0.00000   0.00002   0.00002   2.09443
   A118       2.08612   0.00003   0.00003   0.00049   0.00052   2.08664
   A119       2.10264  -0.00007  -0.00003  -0.00050  -0.00053   2.10211
   A120       2.09862  -0.00009   0.00000  -0.00038  -0.00038   2.09824
   A121       2.09099   0.00007  -0.00001   0.00024   0.00024   2.09122
   A122       2.09358   0.00002   0.00000   0.00014   0.00014   2.09372
   A123       2.09110   0.00002   0.00000   0.00023   0.00022   2.09132
   A124       2.09562  -0.00003   0.00001  -0.00004  -0.00003   2.09559
   A125       2.09647   0.00001   0.00000  -0.00019  -0.00019   2.09627
   A126       2.09860   0.00001   0.00000   0.00002   0.00002   2.09862
   A127       2.09368  -0.00002  -0.00001  -0.00040  -0.00041   2.09327
   A128       2.09090   0.00001   0.00001   0.00039   0.00039   2.09129
   A129       2.09352  -0.00001   0.00000   0.00004   0.00005   2.09357
   A130       2.10073  -0.00012  -0.00001  -0.00196  -0.00198   2.09875
   A131       2.08894   0.00013   0.00001   0.00192   0.00193   2.09087
   A132       2.09278  -0.00030   0.00062   0.00234   0.00296   2.09574
   A133       1.94332   0.00043   0.00064  -0.00236  -0.00171   1.94161
   A134       2.00556  -0.00022   0.00058  -0.00656  -0.00597   1.99959
   A135       2.27165   0.00060   0.00003   0.00289   0.00285   2.27450
   A136       1.87457   0.00008  -0.00003   0.00205   0.00195   1.87652
   A137       2.13303  -0.00058   0.00002  -0.00681  -0.00686   2.12617
   A138       2.03125  -0.00034  -0.00002  -0.00040  -0.00042   2.03084
   A139       1.89322  -0.00172   0.00004  -0.00035  -0.00031   1.89291
   A140       1.77016   0.00066  -0.00001   0.00102   0.00101   1.77117
   A141       1.90894   0.00053   0.00000  -0.00327  -0.00327   1.90567
   A142       1.96992   0.00034  -0.00004  -0.00195  -0.00198   1.96794
   A143       1.98876   0.00014   0.00000   0.00041   0.00041   1.98917
   A144       1.91928   0.00007   0.00001   0.00397   0.00399   1.92326
   A145       2.25539  -0.00041  -0.00001  -0.00082  -0.00083   2.25456
   A146       2.11696   0.00047   0.00001   0.00112   0.00113   2.11809
   A147       1.91008  -0.00007   0.00001  -0.00031  -0.00031   1.90978
   A148       2.01339   0.00019  -0.00001   0.00038   0.00036   2.01376
   A149       2.21343  -0.00013  -0.00001   0.00017   0.00016   2.21359
   A150       2.05636  -0.00006   0.00002  -0.00055  -0.00052   2.05583
   A151       1.95247  -0.00019   0.00002  -0.00021  -0.00020   1.95226
   A152       1.97146   0.00010  -0.00001   0.00000  -0.00002   1.97145
   A153       2.18852  -0.00007   0.00002   0.00038   0.00040   2.18892
   A154       2.12320  -0.00003  -0.00002  -0.00037  -0.00038   2.12281
   A155       1.57724  -0.00003  -0.00001   0.00026   0.00025   1.57749
   A156       1.96432   0.00059  -0.00011   0.00443   0.00431   1.96864
   A157       1.92099  -0.00071   0.00003  -0.00082  -0.00082   1.92017
   A158       1.85751   0.00004  -0.00001  -0.00533  -0.00534   1.85218
   A159       1.93460  -0.00018   0.00005   0.00448   0.00452   1.93912
   A160       1.89014   0.00020   0.00003  -0.00260  -0.00257   1.88758
   A161       1.89312   0.00008  -0.00001  -0.00077  -0.00078   1.89234
   A162       1.96042   0.00027  -0.00006  -0.00155  -0.00161   1.95881
   A163       1.96776  -0.00131  -0.00006  -0.00066  -0.00076   1.96700
   A164       1.93468   0.00095   0.00005   0.00843   0.00844   1.94311
   A165       1.85059   0.00056   0.00004   0.00229   0.00233   1.85292
   A166       1.88397  -0.00113   0.00000  -0.02349  -0.02349   1.86048
   A167       1.86070   0.00064   0.00004   0.01443   0.01438   1.87508
   A168       1.93165   0.00015   0.00000  -0.00089  -0.00089   1.93076
   A169       1.96668  -0.00011   0.00002  -0.00025  -0.00023   1.96644
   A170       1.96043   0.00001  -0.00001   0.00136   0.00135   1.96178
   A171       1.85479  -0.00002   0.00001  -0.00388  -0.00388   1.85092
   A172       1.86383  -0.00007  -0.00003  -0.00154  -0.00157   1.86226
   A173       1.88035   0.00005   0.00000   0.00497   0.00497   1.88532
   A174       1.91456   0.00009   0.00000   0.00075   0.00074   1.91530
   A175       2.23959   0.00004   0.00000   0.00582   0.00583   2.24542
   A176       2.12900  -0.00013  -0.00001  -0.00657  -0.00657   2.12243
   A177       1.58095  -0.00013   0.00000  -0.00072  -0.00074   1.58020
    D1        1.08135   0.00004  -0.00009   0.01949   0.01940   1.10075
    D2       -3.05111   0.00004  -0.00009   0.02247   0.02238  -3.02873
    D3       -0.99748   0.00001  -0.00009   0.01965   0.01956  -0.97792
    D4       -3.11458  -0.00002  -0.00009   0.01918   0.01909  -3.09549
    D5       -0.96385  -0.00002  -0.00009   0.02216   0.02207  -0.94178
    D6        1.08978  -0.00004  -0.00009   0.01934   0.01925   1.10903
    D7       -1.01057   0.00005  -0.00009   0.01948   0.01939  -0.99117
    D8        1.14016   0.00005  -0.00009   0.02247   0.02238   1.16254
    D9       -3.08939   0.00002  -0.00009   0.01965   0.01956  -3.06984
   D10        1.00198   0.00000   0.00007   0.00629   0.00636   1.00834
   D11        3.10839  -0.00001   0.00007   0.00701   0.00708   3.11548
   D12       -1.08824  -0.00003   0.00006   0.00689   0.00695  -1.08128
   D13       -1.14978  -0.00001   0.00007   0.00717   0.00723  -1.14254
   D14        0.95664  -0.00001   0.00007   0.00789   0.00795   0.96460
   D15        3.04320  -0.00004   0.00006   0.00777   0.00783   3.05102
   D16        3.07985   0.00006   0.00006   0.00706   0.00712   3.08697
   D17       -1.09691   0.00005   0.00006   0.00778   0.00784  -1.08907
   D18        0.98964   0.00003   0.00005   0.00766   0.00771   0.99735
   D19        2.09021  -0.00004  -0.00005  -0.06304  -0.06309   2.02712
   D20       -1.05625   0.00001   0.00003  -0.04637  -0.04633  -1.10258
   D21       -2.02724  -0.00003  -0.00005  -0.06163  -0.06168  -2.08892
   D22        1.10949   0.00002   0.00003  -0.04496  -0.04492   1.06457
   D23        0.03194  -0.00007  -0.00004  -0.06137  -0.06142  -0.02947
   D24       -3.11451  -0.00002   0.00004  -0.04470  -0.04466   3.12401
   D25       -3.13914  -0.00002   0.00002   0.00515   0.00518  -3.13396
   D26        0.00694  -0.00007  -0.00006  -0.01022  -0.01028  -0.00334
   D27        3.13760   0.00005   0.00002  -0.00201  -0.00198   3.13562
   D28       -0.00821   0.00009   0.00009   0.01246   0.01255   0.00433
   D29        3.13087  -0.00004  -0.00004  -0.00176  -0.00178   3.12909
   D30       -0.00151   0.00000  -0.00002   0.00171   0.00169   0.00018
   D31        2.20596  -0.00012   0.00016  -0.02589  -0.02574   2.18023
   D32       -1.92252   0.00019   0.00018  -0.01968  -0.01949  -1.94202
   D33        0.09878  -0.00015   0.00016  -0.02589  -0.02573   0.07305
   D34       -0.94616  -0.00017   0.00014  -0.02991  -0.02977  -0.97593
   D35        1.20854   0.00015   0.00017  -0.02370  -0.02353   1.18501
   D36       -3.05334  -0.00020   0.00014  -0.02991  -0.02976  -3.08310
   D37       -0.00474   0.00007   0.00009   0.00775   0.00784   0.00310
   D38        3.12855   0.00009   0.00000   0.00821   0.00821   3.13676
   D39       -3.13595   0.00011   0.00011   0.01173   0.01185  -3.12410
   D40       -0.00266   0.00014   0.00002   0.01219   0.01221   0.00955
   D41       -1.18782   0.00000   0.00006  -0.04490  -0.04485  -1.23266
   D42        1.34445   0.00001  -0.00004  -0.01506  -0.01510   1.32935
   D43        2.94120  -0.00017   0.00002  -0.05136  -0.05135   2.88985
   D44       -0.80972  -0.00017  -0.00009  -0.02153  -0.02160  -0.83132
   D45        0.94674  -0.00025   0.00004  -0.05078  -0.05075   0.89599
   D46       -2.80418  -0.00025  -0.00006  -0.02094  -0.02100  -2.82518
   D47       -1.12116   0.00013  -0.00025  -0.00973  -0.00999  -1.13115
   D48        3.09994   0.00005  -0.00024  -0.01280  -0.01305   3.08689
   D49        0.98973   0.00014  -0.00026  -0.00955  -0.00982   0.97991
   D50        2.59056  -0.00012  -0.00016  -0.03846  -0.03861   2.55195
   D51        0.52847  -0.00019  -0.00014  -0.04153  -0.04167   0.48680
   D52       -1.58174  -0.00010  -0.00016  -0.03828  -0.03843  -1.62017
   D53       -2.87447   0.00031   0.00018   0.01714   0.01729  -2.85717
   D54        0.29589   0.00012   0.00021  -0.01422  -0.01406   0.28182
   D55       -0.34759   0.00020   0.00007   0.04619   0.04630  -0.30128
   D56        2.82276   0.00000   0.00009   0.01483   0.01495   2.83771
   D57        2.82076   0.00016  -0.00006  -0.00194  -0.00196   2.81881
   D58        0.37341  -0.00008   0.00019  -0.04098  -0.04087   0.33255
   D59       -0.29225  -0.00004  -0.00004  -0.03314  -0.03311  -0.32536
   D60       -2.73960  -0.00028   0.00021  -0.07218  -0.07202  -2.81162
   D61       -1.66800  -0.00079  -0.00022  -0.04695  -0.04719  -1.71519
   D62        2.49452   0.00066  -0.00015  -0.04750  -0.04767   2.44685
   D63        0.42916   0.00035  -0.00018  -0.04618  -0.04638   0.38278
   D64        0.81772  -0.00068  -0.00046  -0.00859  -0.00903   0.80869
   D65       -1.30294   0.00076  -0.00039  -0.00914  -0.00951  -1.31245
   D66        2.91489   0.00046  -0.00042  -0.00782  -0.00822   2.90666
   D67       -0.64492   0.00007  -0.00003   0.00419   0.00417  -0.64075
   D68        2.47812   0.00179   0.00012   0.00426   0.00437   2.48249
   D69        1.46008   0.00046  -0.00017   0.00302   0.00285   1.46293
   D70       -1.70006   0.00219  -0.00003   0.00309   0.00305  -1.69701
   D71       -2.71324  -0.00040   0.00000   0.00056   0.00056  -2.71268
   D72        0.40979   0.00132   0.00015   0.00062   0.00077   0.41056
   D73        1.11189   0.00069   0.00062  -0.03061  -0.02998   1.08191
   D74       -3.00391   0.00035   0.00064  -0.02219  -0.02155  -3.02546
   D75       -0.95593   0.00010   0.00065  -0.02654  -0.02588  -0.98181
   D76       -0.98525   0.00101   0.00077  -0.02841  -0.02764  -1.01289
   D77        1.18214   0.00067   0.00079  -0.02000  -0.01921   1.16292
   D78       -3.05307   0.00041   0.00080  -0.02435  -0.02354  -3.07661
   D79       -3.11430   0.00111   0.00059  -0.02743  -0.02684  -3.14114
   D80       -0.94692   0.00077   0.00061  -0.01901  -0.01841  -0.96533
   D81        1.10106   0.00051   0.00062  -0.02336  -0.02274   1.07832
   D82        3.12846  -0.00242  -0.00018   0.01428   0.01410  -3.14063
   D83        0.17031  -0.00074   0.00000   0.00125   0.00125   0.17156
   D84       -0.03154  -0.00069  -0.00004   0.01440   0.01436  -0.01718
   D85       -2.98969   0.00098   0.00014   0.00137   0.00151  -2.98818
   D86        2.50094   0.00132  -0.00077   0.05537   0.05460   2.55554
   D87       -1.61780   0.00325  -0.00082   0.06061   0.05978  -1.55802
   D88        0.45976   0.00107  -0.00080   0.05276   0.05196   0.51173
   D89       -0.81588  -0.00022  -0.00094   0.06792   0.06699  -0.74890
   D90        1.34856   0.00170  -0.00099   0.07316   0.07217   1.42073
   D91       -2.85706  -0.00048  -0.00097   0.06532   0.06435  -2.79271
   D92        1.07952  -0.00103   0.00014  -0.01405  -0.01391   1.06561
   D93       -1.06723  -0.00108   0.00019  -0.01614  -0.01595  -1.08317
   D94       -3.04177  -0.00115   0.00017  -0.01723  -0.01706  -3.05883
   D95       -1.07341   0.00092   0.00017  -0.01795  -0.01778  -1.09119
   D96        3.06303   0.00087   0.00022  -0.02004  -0.01982   3.04321
   D97        1.08849   0.00080   0.00020  -0.02114  -0.02094   1.06755
   D98        3.11244   0.00022   0.00015  -0.01374  -0.01359   3.09886
   D99        0.96570   0.00018   0.00020  -0.01583  -0.01562   0.95007
   D100      -1.00884   0.00010   0.00018  -0.01692  -0.01674  -1.02558
   D101       1.27606  -0.00169  -0.00048  -0.03107  -0.03154   1.24452
   D102      -0.84871  -0.00072  -0.00043  -0.02384  -0.02428  -0.87299
   D103      -2.86213  -0.00153  -0.00043  -0.03026  -0.03069  -2.89282
   D104      -2.87307  -0.00022  -0.00051  -0.02352  -0.02403  -2.89710
   D105       1.28535   0.00074  -0.00047  -0.01629  -0.01676   1.26858
   D106      -0.72807  -0.00006  -0.00047  -0.02271  -0.02318  -0.75125
   D107      -0.78455   0.00009  -0.00048  -0.02438  -0.02487  -0.80942
   D108      -2.90932   0.00105  -0.00044  -0.01715  -0.01760  -2.92692
   D109       1.36045   0.00025  -0.00044  -0.02357  -0.02402   1.33643
   D110      -1.62505  -0.00007   0.00031  -0.01251  -0.01220  -1.63724
   D111       1.52511  -0.00008   0.00032  -0.01192  -0.01160   1.51351
   D112       0.50856   0.00001   0.00027  -0.00932  -0.00905   0.49951
   D113      -2.62447  -0.00001   0.00028  -0.00873  -0.00846  -2.63292
   D114       2.51027   0.00005   0.00028  -0.01038  -0.01009   2.50018
   D115      -0.62275   0.00004   0.00029  -0.00979  -0.00950  -0.63225
   D116       3.13908   0.00000   0.00001   0.00094   0.00095   3.14003
   D117      -0.01708   0.00000   0.00002   0.00108   0.00110  -0.01598
   D118      -0.01099   0.00001   0.00001   0.00036   0.00037  -0.01062
   D119       3.11604   0.00001   0.00002   0.00050   0.00051   3.11656
   D120      -3.13905   0.00000  -0.00001  -0.00104  -0.00106  -3.14010
   D121       0.01013  -0.00002  -0.00001  -0.00246  -0.00247   0.00765
   D122       0.01106  -0.00001  -0.00001  -0.00046  -0.00047   0.01060
   D123      -3.12295  -0.00003   0.00000  -0.00188  -0.00189  -3.12483
   D124       0.00276  -0.00001   0.00000  -0.00002  -0.00002   0.00274
   D125       3.14032  -0.00001   0.00000   0.00010   0.00011   3.14043
   D126      -3.12435  -0.00001  -0.00001  -0.00016  -0.00017  -3.12452
   D127       0.01322  -0.00001  -0.00001  -0.00004  -0.00004   0.01318
   D128       0.00546   0.00000  -0.00001  -0.00021  -0.00022   0.00524
   D129       3.14156   0.00001   0.00000   0.00053   0.00052  -3.14110
   D130      -3.13210   0.00000  -0.00001  -0.00034  -0.00035  -3.13245
   D131       0.00400   0.00001   0.00000   0.00040   0.00040   0.00440
   D132      -0.00538   0.00000   0.00000   0.00011   0.00012  -0.00526
   D133       3.13361   0.00001   0.00000   0.00046   0.00046   3.13408
   D134      -3.14149   0.00000   0.00000  -0.00062  -0.00063   3.14107
   D135      -0.00250   0.00000   0.00000  -0.00028  -0.00028  -0.00277
   D136      -0.00292   0.00000   0.00001   0.00022   0.00023  -0.00269
   D137       3.13113   0.00002   0.00000   0.00164   0.00164   3.13277
   D138       3.14127  -0.00001   0.00001  -0.00012  -0.00012   3.14116
   D139      -0.00786   0.00002   0.00000   0.00129   0.00129  -0.00657
   D140      -1.65279   0.00112  -0.00013  -0.03721  -0.03736  -1.69015
   D141       2.65391   0.00031  -0.00021  -0.03844  -0.03866   2.61525
   D142       0.44392   0.00024  -0.00021  -0.04304  -0.04324   0.40068
   D143       0.48944   0.00013  -0.00017  -0.04429  -0.04447   0.44498
   D144      -1.48705  -0.00067  -0.00025  -0.04552  -0.04577  -1.53282
   D145       2.58615  -0.00074  -0.00025  -0.05011  -0.05035   2.53580
   D146       2.49805   0.00095  -0.00013  -0.03811  -0.03825   2.45980
   D147       0.52156   0.00014  -0.00021  -0.03935  -0.03955   0.48200
   D148      -1.68843   0.00007  -0.00020  -0.04394  -0.04413  -1.73256
   D149       1.81298  -0.00110   0.00238  -0.00723  -0.00484   1.80813
   D150      -2.38602   0.00110   0.00232  -0.00280  -0.00048  -2.38650
   D151      -0.31473  -0.00003   0.00245  -0.00059   0.00186  -0.31288
   D152      -1.22264   0.00026  -0.00021   0.01695   0.01674  -1.20590
   D153       2.87799  -0.00039  -0.00029   0.01009   0.00980   2.88779
   D154       0.88735   0.00020  -0.00031   0.01146   0.01115   0.89851
   D155       3.03359  -0.00033  -0.00004   0.01910   0.01906   3.05265
   D156       0.85103  -0.00099  -0.00012   0.01224   0.01212   0.86315
   D157      -1.13961  -0.00040  -0.00014   0.01361   0.01347  -1.12613
   D158       0.99161   0.00042  -0.00021   0.01898   0.01877   1.01038
   D159      -1.19095  -0.00023  -0.00029   0.01212   0.01184  -1.17911
   D160       3.10159   0.00036  -0.00030   0.01349   0.01319   3.11479
   D161       2.91714   0.00077   0.00003  -0.00362  -0.00358   2.91356
   D162      -1.22451   0.00064   0.00018  -0.00467  -0.00448  -1.22900
   D163       0.78596   0.00065   0.00009  -0.01021  -0.01012   0.77584
   D164      -1.21936  -0.00057   0.00008  -0.00038  -0.00029  -1.21965
   D165       0.92217  -0.00070   0.00023  -0.00143  -0.00119   0.92097
   D166       2.93264  -0.00068   0.00014  -0.00697  -0.00683   2.92581
   D167       0.81252   0.00018   0.00010  -0.00052  -0.00042   0.81210
   D168       2.95405   0.00004   0.00025  -0.00157  -0.00132   2.95273
   D169      -1.31867   0.00006   0.00017  -0.00711  -0.00695  -1.32562
   D170       1.27882  -0.00057   0.00014   0.01473   0.01487   1.29369
   D171      -1.13469  -0.00038  -0.00251   0.02601   0.02350  -1.11119
   D172      -0.88665  -0.00034   0.00011   0.01215   0.01225  -0.87440
   D173       2.98302  -0.00015  -0.00254   0.02343   0.02088   3.00390
   D174      -2.96682  -0.00067   0.00013   0.01423   0.01435  -2.95246
   D175       0.90285  -0.00049  -0.00252   0.02551   0.02299   0.92584
   D176       1.66537  -0.00010   0.00066  -0.00719  -0.00653   1.65884
   D177      -1.48050  -0.00009   0.00062  -0.00693  -0.00631  -1.48680
   D178      -0.47907  -0.00014   0.00054  -0.00819  -0.00765  -0.48671
   D179       2.65825  -0.00013   0.00051  -0.00793  -0.00742   2.65082
   D180      -2.49501   0.00031   0.00061   0.00126   0.00187  -2.49314
   D181       0.64230   0.00032   0.00058   0.00152   0.00210   0.64440
   D182       3.13674  -0.00001  -0.00001  -0.00001  -0.00002   3.13673
   D183      -0.01204   0.00001   0.00004   0.00186   0.00190  -0.01014
   D184      -0.00059  -0.00003   0.00002  -0.00027  -0.00025  -0.00084
   D185       3.13381  -0.00001   0.00007   0.00160   0.00167   3.13548
   D186      -3.13576   0.00000   0.00000  -0.00041  -0.00041  -3.13617
   D187       0.00651   0.00000  -0.00001  -0.00042  -0.00043   0.00608
   D188       0.00156   0.00002  -0.00003  -0.00016  -0.00019   0.00137
   D189      -3.13936   0.00001  -0.00004  -0.00017  -0.00021  -3.13957
   D190      -0.00099   0.00002   0.00000   0.00038   0.00038  -0.00061
   D191       3.13919   0.00003   0.00002   0.00102   0.00104   3.14023
   D192      -3.13532   0.00000  -0.00005  -0.00151  -0.00156  -3.13687
   D193       0.00486   0.00001  -0.00003  -0.00087  -0.00090   0.00396
   D194       0.00159   0.00000  -0.00002  -0.00005  -0.00007   0.00152
   D195      -3.14148   0.00001   0.00001   0.00070   0.00071  -3.14077
   D196      -3.13859  -0.00001  -0.00003  -0.00070  -0.00073  -3.13932
   D197       0.00153   0.00000  -0.00001   0.00006   0.00005   0.00158
   D198      -0.00061  -0.00001   0.00001  -0.00038  -0.00038  -0.00098
   D199       3.14099  -0.00001   0.00001  -0.00050  -0.00049   3.14050
   D200      -3.14073  -0.00002  -0.00001  -0.00114  -0.00115   3.14130
   D201       0.00087  -0.00002  -0.00001  -0.00126  -0.00126  -0.00040
   D202      -0.00097   0.00000   0.00002   0.00049   0.00051  -0.00046
   D203       3.13996   0.00001   0.00002   0.00050   0.00052   3.14048
   D204       3.14062   0.00000   0.00001   0.00061   0.00062   3.14124
   D205      -0.00164   0.00001   0.00002   0.00062   0.00063  -0.00101
   D206       0.61152  -0.00011  -0.00253   0.03173   0.02922   0.64074
   D207      -2.62545   0.00105  -0.00223   0.00861   0.00635  -2.61909
   D208       3.00075  -0.00005   0.00023   0.02188   0.02213   3.02288
   D209      -0.23622   0.00111   0.00053  -0.00125  -0.00074  -0.23696
   D210       3.12790  -0.00200  -0.00055  -0.00924  -0.00984   3.11806
   D211      -0.09983  -0.00088  -0.00028  -0.02953  -0.02976  -0.12959
   D212      -1.51478   0.00053  -0.00047   0.00998   0.00950  -1.50528
   D213       2.69066   0.00053  -0.00044   0.01183   0.01138   2.70204
   D214       0.66389  -0.00008  -0.00045   0.00813   0.00768   0.67157
   D215      -1.15905  -0.00008   0.00201  -0.07247  -0.07047  -1.22952
   D216       1.93628  -0.00038   0.00239  -0.07305  -0.07066   1.86562
   D217       0.78810  -0.00011   0.00199  -0.07247  -0.07048   0.71762
   D218      -2.39976  -0.00040   0.00238  -0.07305  -0.07067  -2.47043
   D219       2.99346   0.00040   0.00198  -0.06829  -0.06631   2.92715
   D220      -0.19440   0.00011   0.00236  -0.06887  -0.06651  -0.26090
   D221       3.10859  -0.00037   0.00023  -0.00139  -0.00115   3.10743
   D222      -0.03486  -0.00008   0.00017  -0.00056  -0.00039  -0.03525
   D223       0.00892  -0.00012  -0.00012  -0.00090  -0.00102   0.00790
   D224      -3.13453   0.00017  -0.00018  -0.00007  -0.00025  -3.13478
   D225      -3.11614   0.00035  -0.00012   0.00456   0.00444  -3.11171
   D226      -0.01256   0.00010   0.00020   0.00406   0.00426  -0.00830
   D227       0.00180   0.00009  -0.00007  -0.00422  -0.00430  -0.00250
   D228      -3.13812  -0.00018  -0.00001  -0.00497  -0.00499   3.14008
   D229      -0.01173  -0.00001   0.00023   0.00731   0.00754  -0.00419
   D230       3.13322   0.00017  -0.00019   0.00729   0.00711   3.14032
   D231       0.01432  -0.00005  -0.00025  -0.00672  -0.00697   0.00735
   D232      -3.13048  -0.00022   0.00015  -0.00670  -0.00655  -3.13704
   D233      -1.05481  -0.00053   0.00188  -0.07313  -0.07124  -1.12605
   D234       1.03478  -0.00054   0.00184  -0.07174  -0.06991   0.96487
   D235       3.11920   0.00007   0.00188  -0.04790  -0.04599   3.07321
   D236       3.06853   0.00011   0.00187  -0.07868  -0.07681   2.99172
   D237      -1.12506   0.00010   0.00183  -0.07729  -0.07549  -1.20055
   D238       0.95935   0.00070   0.00188  -0.05345  -0.05156   0.90779
   D239       0.99376   0.00000   0.00183  -0.07876  -0.07693   0.91683
   D240       3.08336  -0.00002   0.00179  -0.07737  -0.07560   3.00775
   D241      -1.11542   0.00059   0.00183  -0.05353  -0.05168  -1.16710
   D242       2.96686  -0.00004   0.00064  -0.00101  -0.00037   2.96649
   D243      -1.24223  -0.00004   0.00067  -0.00672  -0.00605  -1.24828
   D244       0.88545  -0.00006   0.00068   0.00065   0.00133   0.88678
   D245      -1.13184   0.00007   0.00057   0.00729   0.00786  -1.12399
   D246       0.94225   0.00007   0.00060   0.00158   0.00218   0.94443
   D247       3.06993   0.00006   0.00061   0.00895   0.00956   3.07949
   D248       0.94113   0.00026   0.00063   0.00627   0.00691   0.94804
   D249       3.01522   0.00026   0.00066   0.00057   0.00123   3.01645
   D250      -1.14028   0.00024   0.00067   0.00793   0.00861  -1.13167
   D251       0.00701  -0.00009  -0.00010  -0.01095  -0.01105  -0.00404
   D252      -3.12690  -0.00011  -0.00002  -0.01145  -0.01146  -3.13835
         Item               Value     Threshold  Converged?
 Maximum Force            0.005302     0.000450     NO 
 RMS     Force            0.000665     0.000300     NO 
 Maximum Displacement     0.825098     0.001800     NO 
 RMS     Displacement     0.195904     0.001200     NO 
 Predicted change in Energy=-3.942821D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.011941   -2.663900    0.603868
      2          6           0       -8.967895   -1.364954   -0.206894
      3          6           0      -10.042071   -0.372308    0.247895
      4          6           0       -7.608540   -0.744669   -0.117554
      5          7           0       -6.767633   -0.558148   -1.106629
      6          6           0       -5.556909    0.048977   -0.678603
      7          6           0       -4.513511    0.293125   -1.734588
      8          7           0       -4.057146    1.702011   -1.822112
      9          6           0       -5.069395    2.641290   -2.377538
     10          6           0       -3.163017    2.260071   -0.870904
     11          8           0       -3.017211    3.473111   -0.765039
     12          7           0       -2.437193    1.365558   -0.034765
     13          6           0       -1.232130    1.907125    0.635359
     14          6           0        0.010697    1.500160   -0.181254
     15          8           0        0.099216    0.411191   -0.740511
     16          7           0        1.025184    2.440186   -0.274053
     17          6           0        2.268230    2.151552   -1.038902
     18          6           0        2.785133    3.455232   -1.689493
     19          6           0        3.138249    4.540382   -0.710307
     20          6           0        2.188294    5.517007   -0.371849
     21          6           0        2.512590    6.525772    0.539224
     22          6           0        3.785260    6.570692    1.116537
     23          6           0        4.736806    5.604626    0.773970
     24          6           0        4.418048    4.593670   -0.136400
     25          6           0        3.328356    1.490816   -0.137781
     26          6           0        2.957627    0.051260    0.227941
     27          8           0        2.328706    0.076679    1.528619
     28          6           0        4.205529   -0.859653    0.451930
     29          6           0        4.948146   -1.113971   -0.869843
     30          6           0        6.307021   -1.714215   -0.634723
     31          6           0        6.474077   -3.106817   -0.687667
     32          6           0        7.735278   -3.667290   -0.475668
     33          6           0        8.835991   -2.844888   -0.210788
     34          6           0        8.670485   -1.457730   -0.156746
     35          6           0        7.410388   -0.890261   -0.367439
     36          7           0        3.777839   -2.118883    1.138476
     37          6           0        3.082060   -3.105201    0.426818
     38          8           0        3.203273   -3.477337   -0.721406
     39          8           0        2.247268   -3.766807    1.331667
     40          6           0        1.404164   -4.822210    0.782211
     41          6           0        0.158023   -4.209253    0.274647
     42          6           0       -0.882507   -3.655259    0.975018
     43          7           0       -1.917729   -3.110936    0.188964
     44          6           0       -1.676108   -3.241314   -1.097409
     45         16           0       -0.140284   -4.044558   -1.431442
     46          6           0       -1.153654    1.355007    2.090146
     47          6           0       -1.020972   -0.167771    2.139623
     48          6           0       -0.008483    2.032973    2.846910
     49          6           0       -5.483372    0.324858    0.656147
     50         16           0       -6.949070   -0.177848    1.440632
     51          1           0       -9.964471   -3.185593    0.453853
     52          1           0       -8.210544   -3.351405    0.304428
     53          1           0       -8.906289   -2.487170    1.680985
     54          1           0       -9.157988   -1.618553   -1.289287
     55          1           0       -9.955217   -0.119111    1.311363
     56          1           0       -9.988111    0.565739   -0.318740
     57          1           0      -11.045634   -0.788268    0.098052
     58          1           0       -3.637640   -0.379117   -1.563864
     59          1           0       -4.918501    0.006317   -2.740842
     60          1           0       -5.269838    2.369983   -3.426719
     61          1           0       -4.676299    3.676861   -2.358364
     62          1           0       -6.017593    2.623507   -1.815761
     63          1           0       -2.340142    0.381098   -0.316086
     64          1           0       -1.327947    3.032305    0.681082
     65          1           0        1.019344    3.288106    0.290616
     66          1           0        1.993810    1.431357   -1.863211
     67          1           0        2.015378    3.825297   -2.402772
     68          1           0        3.661969    3.213998   -2.326753
     69          1           0        1.199021    5.500313   -0.828148
     70          1           0        1.770876    7.281282    0.796652
     71          1           0        4.036047    7.356589    1.826148
     72          1           0        5.731402    5.641103    1.216730
     73          1           0        5.168057    3.852151   -0.402173
     74          1           0        3.458405    2.073750    0.799783
     75          1           0        4.311726    1.522020   -0.646434
     76          1           0        2.250252   -0.394753   -0.510030
     77          1           0        1.340605   -0.027090    1.432810
     78          1           0        4.902052   -0.356799    1.180549
     79          1           0        4.345217   -1.782208   -1.534852
     80          1           0        5.039985   -0.164144   -1.434227
     81          1           0        5.611354   -3.745766   -0.890396
     82          1           0        7.861199   -4.747844   -0.516160
     83          1           0        9.817241   -3.283969   -0.046822
     84          1           0        9.525104   -0.816470    0.050132
     85          1           0        7.289778    0.188570   -0.322754
     86          1           0        3.400146   -1.921912    2.082892
     87          1           0        1.236378   -5.459020    1.676277
     88          1           0        1.975398   -5.382525    0.015039
     89          1           0       -0.983133   -3.598088    2.055064
     90          1           0       -2.325217   -2.901968   -1.895715
     91          1           0       -2.121007    1.637774    2.583315
     92          1           0       -1.908647   -0.676376    1.734576
     93          1           0       -0.161496   -0.539310    1.556722
     94          1           0       -0.898397   -0.524027    3.168709
     95          1           0       -0.052843    1.787768    3.915804
     96          1           0        0.983194    1.703506    2.499903
     97          1           0       -0.047872    3.124397    2.772660
     98          1           0       -4.672379    0.775402    1.207756
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0707669      0.0296219      0.0226194
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3594.6252299052 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.248866819506     A.U. after   20 cycles
             Convg  =    0.6580D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000117426   -0.000164334    0.000038220
      2        6          -0.000038414   -0.000081207   -0.000209571
      3        6          -0.000019990   -0.000015081    0.000074019
      4        6          -0.000328199    0.000239907    0.000731514
      5        7           0.000173384   -0.000401257   -0.000430350
      6        6          -0.000000017    0.000310692   -0.000265110
      7        6           0.000324781   -0.000359050   -0.000073057
      8        7          -0.001206094    0.000262272   -0.000114674
      9        6          -0.000046966   -0.000018118    0.000215701
     10        6           0.003115499   -0.000490862    0.001477781
     11        8          -0.001524754    0.000537151   -0.000458379
     12        7          -0.000435672    0.000117569   -0.000451422
     13        6          -0.000401132   -0.000044471    0.000289381
     14        6           0.000823640   -0.000019500   -0.000773470
     15        8           0.000181552    0.000364729   -0.000143406
     16        7           0.001135022   -0.000368198    0.000652496
     17        6          -0.000173107   -0.000197576   -0.001052892
     18        6           0.000000807    0.000301127   -0.000002433
     19        6          -0.000215449   -0.000052676    0.000136115
     20        6           0.000132783   -0.000103589    0.000025594
     21        6           0.000006509    0.000050408   -0.000005236
     22        6          -0.000049520   -0.000009463    0.000040505
     23        6           0.000077905   -0.000075895   -0.000009271
     24        6           0.000005115    0.000075519    0.000006818
     25        6          -0.000568842   -0.000962319   -0.000402900
     26        6          -0.001107062    0.000051190    0.001894643
     27        8           0.001204854    0.000882409    0.000865423
     28        6          -0.000305683    0.000993221    0.000328766
     29        6           0.000478228    0.001085972    0.000532437
     30        6          -0.000184465    0.000379072    0.000165183
     31        6          -0.000121085   -0.000177608   -0.000228979
     32        6          -0.000029818   -0.000033715   -0.000026267
     33        6          -0.000006254   -0.000000266    0.000005345
     34        6          -0.000040549   -0.000007520    0.000007729
     35        6           0.000089107   -0.000080426    0.000038185
     36        7           0.002077590    0.001199820   -0.002399026
     37        6          -0.001721258   -0.000973462    0.000715898
     38        8           0.000347363   -0.000729073   -0.000782103
     39        8           0.000225097   -0.000740788   -0.000194120
     40        6           0.000777167   -0.000299493    0.000300409
     41        6          -0.000340963    0.000440966   -0.000264619
     42        6           0.000246448    0.000382701    0.000035232
     43        7           0.000117464   -0.000872075   -0.000336326
     44        6          -0.000484795    0.000411362    0.000108611
     45       16           0.000125598   -0.000499660   -0.000064809
     46        6          -0.000006899    0.000391994    0.000034183
     47        6          -0.000822302    0.000267750    0.000040866
     48        6          -0.000207441    0.000330563    0.000101475
     49        6          -0.000067684    0.000186963    0.000645284
     50       16           0.000180896   -0.000124783   -0.000652146
     51        1          -0.000006186    0.000012885    0.000017805
     52        1          -0.000005979    0.000039583   -0.000019981
     53        1          -0.000026748    0.000029971   -0.000053335
     54        1          -0.000021581   -0.000028772   -0.000001253
     55        1          -0.000144738    0.000044618   -0.000026341
     56        1          -0.000048756    0.000015540    0.000035779
     57        1          -0.000024254    0.000011929   -0.000052899
     58        1           0.000300057   -0.000330911    0.000130622
     59        1           0.000048782   -0.000114102   -0.000008678
     60        1          -0.000015192    0.000017702    0.000006645
     61        1          -0.000021800   -0.000003992    0.000074751
     62        1          -0.000187055    0.000028895    0.000075054
     63        1          -0.000061477    0.000269466    0.000188179
     64        1          -0.000002920   -0.000120691    0.000135447
     65        1           0.000150479    0.000215433   -0.000258832
     66        1          -0.000268461    0.000461450   -0.000554868
     67        1           0.000067610    0.000122292   -0.000152946
     68        1           0.000099753   -0.000026114    0.000120359
     69        1           0.000039879    0.000011138   -0.000029384
     70        1          -0.000012602   -0.000009634   -0.000014023
     71        1           0.000002037    0.000030286   -0.000019102
     72        1          -0.000006672    0.000004708    0.000005469
     73        1          -0.000010702    0.000027054    0.000018827
     74        1          -0.000104576   -0.000371587   -0.000036141
     75        1          -0.000065833   -0.000351826   -0.000024688
     76        1          -0.000144688    0.000701799    0.000382556
     77        1          -0.000514037    0.000186759    0.000163187
     78        1           0.000288672    0.000061544    0.000350372
     79        1           0.000004058   -0.000601855    0.000504213
     80        1           0.000001069   -0.000281973   -0.000413543
     81        1           0.000106851    0.000086544    0.000137165
     82        1          -0.000024814    0.000019020    0.000029169
     83        1           0.000020723    0.000006341    0.000002040
     84        1           0.000008534    0.000001424   -0.000003280
     85        1          -0.000036633   -0.000053530   -0.000004084
     86        1          -0.000638608   -0.000299515    0.000532390
     87        1          -0.000076547   -0.000092034   -0.000133999
     88        1          -0.000086868    0.000448662   -0.000000463
     89        1          -0.000071009   -0.000026637   -0.000112923
     90        1          -0.000105637   -0.000085935    0.000182225
     91        1           0.000271703    0.000006052    0.000216246
     92        1          -0.000044235   -0.000435872   -0.000559811
     93        1          -0.000216648   -0.000813781   -0.000442585
     94        1           0.000040457   -0.000288073    0.000035463
     95        1           0.000000727   -0.000087285    0.000141828
     96        1           0.000188035    0.000064773   -0.000404886
     97        1          -0.000037635    0.000114003   -0.000013667
     98        1          -0.000116356    0.000023357   -0.000311320
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003115499 RMS     0.000471608

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003284914 RMS     0.000602641
 Search for a local minimum.
 Step number  39 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   36   38   39
 DE= -9.03D-05 DEPred=-3.94D-04 R= 2.29D-01
 Trust test= 2.29D-01 RLast= 4.38D-01 DXMaxT set to 1.05D+00
     Eigenvalues ---    0.00099   0.00138   0.00149   0.00220   0.00318
     Eigenvalues ---    0.00349   0.00426   0.00511   0.00583   0.00660
     Eigenvalues ---    0.00699   0.00742   0.00818   0.00871   0.00931
     Eigenvalues ---    0.00948   0.01046   0.01136   0.01167   0.01230
     Eigenvalues ---    0.01271   0.01326   0.01389   0.01400   0.01429
     Eigenvalues ---    0.01445   0.01488   0.01526   0.01585   0.01633
     Eigenvalues ---    0.01659   0.01747   0.01925   0.01975   0.02045
     Eigenvalues ---    0.02120   0.02143   0.02194   0.02202   0.02219
     Eigenvalues ---    0.02239   0.02258   0.02269   0.02286   0.02297
     Eigenvalues ---    0.02327   0.02371   0.02405   0.02408   0.02415
     Eigenvalues ---    0.02448   0.02482   0.02485   0.02527   0.02528
     Eigenvalues ---    0.02641   0.02687   0.02755   0.02997   0.03393
     Eigenvalues ---    0.03563   0.03885   0.04010   0.04105   0.04145
     Eigenvalues ---    0.04283   0.04314   0.04511   0.04788   0.04838
     Eigenvalues ---    0.04943   0.05002   0.05044   0.05106   0.05206
     Eigenvalues ---    0.05248   0.05316   0.05344   0.05405   0.05444
     Eigenvalues ---    0.05533   0.05594   0.05664   0.05704   0.05727
     Eigenvalues ---    0.05801   0.05842   0.05923   0.05979   0.06127
     Eigenvalues ---    0.06271   0.06496   0.06583   0.06704   0.06919
     Eigenvalues ---    0.07135   0.07443   0.07522   0.08165   0.08624
     Eigenvalues ---    0.09054   0.09358   0.09690   0.09866   0.10328
     Eigenvalues ---    0.11926   0.12881   0.13074   0.13130   0.13433
     Eigenvalues ---    0.13732   0.13916   0.14075   0.14315   0.15465
     Eigenvalues ---    0.15589   0.15775   0.15928   0.15950   0.15968
     Eigenvalues ---    0.15976   0.15988   0.15996   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16004
     Eigenvalues ---    0.16008   0.16019   0.16048   0.16054   0.16074
     Eigenvalues ---    0.16114   0.16163   0.16296   0.16626   0.16905
     Eigenvalues ---    0.17166   0.17535   0.17982   0.18037   0.18214
     Eigenvalues ---    0.18671   0.19159   0.19711   0.20239   0.21288
     Eigenvalues ---    0.21616   0.21782   0.21798   0.22000   0.22001
     Eigenvalues ---    0.22005   0.22025   0.22096   0.22249   0.22627
     Eigenvalues ---    0.22675   0.23238   0.23455   0.23486   0.23569
     Eigenvalues ---    0.23663   0.23765   0.24245   0.24581   0.24632
     Eigenvalues ---    0.24877   0.25007   0.25039   0.25046   0.25084
     Eigenvalues ---    0.25425   0.25569   0.25854   0.26358   0.29159
     Eigenvalues ---    0.29312   0.29677   0.29766   0.29928   0.30112
     Eigenvalues ---    0.30225   0.30371   0.30522   0.30722   0.30947
     Eigenvalues ---    0.31335   0.31398   0.31430   0.31499   0.31580
     Eigenvalues ---    0.31641   0.31693   0.31787   0.32004   0.32172
     Eigenvalues ---    0.32316   0.32456   0.32591   0.32601   0.32732
     Eigenvalues ---    0.32778   0.32848   0.32901   0.32961   0.33024
     Eigenvalues ---    0.33042   0.33069   0.33163   0.33192   0.33285
     Eigenvalues ---    0.33343   0.33533   0.33549   0.33576   0.33671
     Eigenvalues ---    0.33692   0.33829   0.33966   0.33984   0.34021
     Eigenvalues ---    0.34158   0.34239   0.34327   0.34360   0.34414
     Eigenvalues ---    0.34492   0.34543   0.34698   0.34810   0.35304
     Eigenvalues ---    0.36246   0.36281   0.36312   0.36376   0.36629
     Eigenvalues ---    0.36829   0.36935   0.37058   0.37937   0.38133
     Eigenvalues ---    0.38732   0.39343   0.40157   0.41113   0.41378
     Eigenvalues ---    0.42049   0.42505   0.42914   0.43237   0.43447
     Eigenvalues ---    0.43649   0.44357   0.45125   0.46092   0.47471
     Eigenvalues ---    0.48144   0.48394   0.48443   0.48582   0.48867
     Eigenvalues ---    0.49164   0.49485   0.49979   0.50171   0.50961
     Eigenvalues ---    0.51250   0.51388   0.54816   0.56368   0.58282
     Eigenvalues ---    0.59547   0.62803   0.65164   0.75782   0.78385
     Eigenvalues ---    0.83203   0.83716   1.762211000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    39   38
 RFO step:  Lambda=-3.28218431D-04.
 DIIS coeffs:      0.55550      0.44450
 Iteration  1 RMS(Cart)=  0.13108798 RMS(Int)=  0.00139196
 Iteration  2 RMS(Cart)=  0.00449274 RMS(Int)=  0.00005724
 Iteration  3 RMS(Cart)=  0.00000401 RMS(Int)=  0.00005722
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00005722
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89476  -0.00006  -0.00036   0.00086   0.00050   2.89526
    R2        2.07180   0.00001   0.00010  -0.00040  -0.00030   2.07150
    R3        2.07402   0.00002   0.00010  -0.00108  -0.00098   2.07305
    R4        2.07231  -0.00006  -0.00008   0.00027   0.00018   2.07250
    R5        2.89445  -0.00024   0.00021  -0.00132  -0.00110   2.89335
    R6        2.82865  -0.00029  -0.00027   0.00048   0.00020   2.82885
    R7        2.13131  -0.00002  -0.00019   0.00056   0.00037   2.13168
    R8        2.07235  -0.00008  -0.00011   0.00009  -0.00002   2.07232
    R9        2.07347  -0.00005  -0.00022   0.00032   0.00011   2.07357
   R10        2.07234  -0.00002  -0.00011   0.00003  -0.00008   2.07226
   R11        2.47849  -0.00002   0.00041   0.00110   0.00150   2.47999
   R12        3.37205  -0.00012  -0.00112  -0.00059  -0.00172   3.37033
   R13        2.68425  -0.00037  -0.00037  -0.00204  -0.00241   2.68184
   R14        2.84301  -0.00061  -0.00173   0.00155  -0.00018   2.84283
   R15        2.57937  -0.00017   0.00025   0.00043   0.00069   2.58006
   R16        2.80348  -0.00083   0.00057  -0.00511  -0.00454   2.79894
   R17        2.11126  -0.00023  -0.00042   0.00054   0.00012   2.11138
   R18        2.12022  -0.00009  -0.00010  -0.00059  -0.00069   2.11953
   R19        2.81270  -0.00044   0.00079  -0.00537  -0.00458   2.80812
   R20        2.68294  -0.00071   0.00183  -0.00477  -0.00294   2.68000
   R21        2.08262   0.00001   0.00032   0.00019   0.00051   2.08312
   R22        2.09351  -0.00004  -0.00031   0.00014  -0.00017   2.09334
   R23        2.08298  -0.00013  -0.00073   0.00017  -0.00056   2.08242
   R24        2.31746  -0.00060  -0.00101   0.00117   0.00016   2.31762
   R25        2.68986  -0.00047   0.00180  -0.00233  -0.00053   2.68933
   R26        2.79944  -0.00009   0.00128   0.00879   0.01007   2.80951
   R27        1.94350   0.00031   0.00091  -0.00166  -0.00075   1.94275
   R28        2.91355  -0.00108  -0.00033   0.00224   0.00190   2.91545
   R29        2.94421  -0.00068  -0.00136   0.00497   0.00361   2.94782
   R30        2.13573   0.00001   0.00010   0.00012   0.00021   2.13594
   R31        2.31941   0.00021   0.00006   0.00006   0.00012   2.31953
   R32        2.61947  -0.00071  -0.00035   0.00088   0.00053   2.62000
   R33        2.81148   0.00080   0.00077   0.00406   0.00484   2.81632
   R34        1.92516  -0.00013  -0.00039  -0.00039  -0.00079   1.92437
   R35        2.92147  -0.00029   0.00113  -0.00319  -0.00206   2.91941
   R36        2.91070   0.00176  -0.00059   0.01312   0.01253   2.92324
   R37        2.13252   0.00060   0.00047   0.00466   0.00512   2.13765
   R38        2.84154   0.00006  -0.00026   0.00073   0.00046   2.84200
   R39        2.10281   0.00019   0.00072  -0.00012   0.00060   2.10341
   R40        2.09848  -0.00014  -0.00050  -0.00011  -0.00060   2.09787
   R41        2.65287   0.00016   0.00014   0.00062   0.00075   2.65362
   R42        2.65242  -0.00005   0.00011  -0.00028  -0.00017   2.65225
   R43        2.64077  -0.00004  -0.00002  -0.00050  -0.00052   2.64025
   R44        2.05898   0.00004   0.00002   0.00042   0.00044   2.05941
   R45        2.64224   0.00001  -0.00005   0.00021   0.00016   2.64240
   R46        2.05903  -0.00001   0.00005  -0.00023  -0.00019   2.05884
   R47        2.64297  -0.00004  -0.00001  -0.00047  -0.00049   2.64248
   R48        2.05631  -0.00003  -0.00006  -0.00030  -0.00036   2.05595
   R49        2.64049   0.00006   0.00013   0.00011   0.00024   2.64073
   R50        2.05849   0.00000   0.00003  -0.00029  -0.00026   2.05824
   R51        2.05538   0.00002  -0.00010   0.00015   0.00005   2.05543
   R52        2.89289   0.00271   0.00001   0.00980   0.00981   2.90270
   R53        2.10070   0.00030   0.00031   0.00005   0.00036   2.10106
   R54        2.09301   0.00011   0.00145  -0.00128   0.00018   2.09319
   R55        2.73061   0.00079   0.00029   0.00037   0.00067   2.73127
   R56        2.95015  -0.00099   0.00129  -0.00843  -0.00714   2.94301
   R57        2.10762   0.00050  -0.00051   0.00265   0.00214   2.10976
   R58        1.88622  -0.00033  -0.00056   0.00152   0.00096   1.88718
   R59        2.90505  -0.00050  -0.00156  -0.00094  -0.00250   2.90255
   R60        2.82824  -0.00293  -0.00351  -0.00648  -0.00999   2.81824
   R61        2.12868  -0.00006  -0.00104   0.00259   0.00155   2.13024
   R62        2.84221   0.00022   0.00067  -0.00241  -0.00174   2.84047
   R63        2.11472  -0.00064  -0.00240  -0.00002  -0.00243   2.11229
   R64        2.09507   0.00048   0.00174   0.00112   0.00286   2.09793
   R65        2.65239  -0.00007  -0.00014  -0.00167  -0.00181   2.65058
   R66        2.65085   0.00011   0.00011   0.00060   0.00070   2.65155
   R67        2.63866   0.00005  -0.00009   0.00040   0.00031   2.63897
   R68        2.06460   0.00016   0.00047  -0.00065  -0.00018   2.06443
   R69        2.64432  -0.00003   0.00008  -0.00037  -0.00029   2.64403
   R70        2.05719   0.00004   0.00021  -0.00013   0.00008   2.05727
   R71        2.64192  -0.00002  -0.00018   0.00049   0.00030   2.64222
   R72        2.05497  -0.00002   0.00000  -0.00027  -0.00027   2.05469
   R73        2.64174   0.00002   0.00035  -0.00089  -0.00054   2.64119
   R74        2.05658   0.00000  -0.00004   0.00004  -0.00001   2.05657
   R75        2.05313   0.00002   0.00001   0.00027   0.00028   2.05341
   R76        2.64790  -0.00275  -0.00473  -0.00929  -0.01402   2.63388
   R77        1.95783   0.00014  -0.00163  -0.00247  -0.00409   1.95373
   R78        2.29241  -0.00019  -0.00033   0.00264   0.00231   2.29472
   R79        2.64113  -0.00045   0.00047   0.00137   0.00184   2.64297
   R80        2.75576  -0.00021  -0.00011   0.00072   0.00060   2.75637
   R81        2.79412  -0.00029  -0.00005  -0.00231  -0.00235   2.79176
   R82        2.09839  -0.00014   0.00021  -0.00256  -0.00235   2.09603
   R83        2.09480   0.00032   0.00053   0.00126   0.00179   2.09658
   R84        2.59115   0.00005  -0.00020  -0.00066  -0.00087   2.59028
   R85        3.28772  -0.00033   0.00001  -0.00190  -0.00190   3.28582
   R86        2.66301  -0.00015   0.00011  -0.00151  -0.00140   2.66161
   R87        2.05267  -0.00009  -0.00020   0.00001  -0.00019   2.05248
   R88        2.48564   0.00015  -0.00026   0.00038   0.00014   2.48578
   R89        3.33553  -0.00036   0.00001  -0.00128  -0.00126   3.33427
   R90        2.04736  -0.00023  -0.00009   0.00008  -0.00002   2.04734
   R91        2.89005  -0.00096  -0.00209   0.00553   0.00344   2.89348
   R92        2.89304  -0.00037  -0.00021  -0.00246  -0.00267   2.89037
   R93        2.12032   0.00032  -0.00031   0.00351   0.00319   2.12352
   R94        2.07931  -0.00041  -0.00199  -0.00074  -0.00273   2.07658
   R95        2.08429   0.00014  -0.00065   0.00707   0.00642   2.09071
   R96        2.07092   0.00013   0.00080  -0.00069   0.00011   2.07103
   R97        2.07408   0.00016   0.00006   0.00070   0.00076   2.07484
   R98        2.08075  -0.00013   0.00018  -0.00062  -0.00044   2.08031
   R99        2.06860  -0.00008  -0.00029   0.00036   0.00007   2.06867
   R100       3.28204  -0.00029  -0.00120  -0.00192  -0.00311   3.27892
   R101       2.03966  -0.00001   0.00015  -0.00049  -0.00034   2.03931
    A1        1.93485   0.00003   0.00038  -0.00179  -0.00142   1.93343
    A2        1.94526  -0.00002   0.00005  -0.00020  -0.00016   1.94511
    A3        1.96106  -0.00001   0.00043   0.00031   0.00074   1.96180
    A4        1.87443  -0.00002  -0.00011  -0.00037  -0.00048   1.87395
    A5        1.87003   0.00000  -0.00043   0.00013  -0.00030   1.86973
    A6        1.87400   0.00002  -0.00036   0.00201   0.00165   1.87565
    A7        1.95221  -0.00003  -0.00038  -0.00079  -0.00117   1.95103
    A8        1.92401   0.00007   0.00142  -0.00117   0.00025   1.92426
    A9        1.88855   0.00001  -0.00029   0.00293   0.00264   1.89119
   A10        1.92901  -0.00010  -0.00161   0.00095  -0.00067   1.92835
   A11        1.88860   0.00005   0.00040  -0.00069  -0.00029   1.88830
   A12        1.87918   0.00001   0.00052  -0.00120  -0.00068   1.87850
   A13        1.96279  -0.00017  -0.00127   0.00130   0.00003   1.96281
   A14        1.94575  -0.00003  -0.00012  -0.00046  -0.00058   1.94517
   A15        1.93413   0.00003   0.00025   0.00015   0.00040   1.93454
   A16        1.87498   0.00008   0.00051  -0.00045   0.00006   1.87504
   A17        1.86770   0.00010   0.00074  -0.00043   0.00031   1.86801
   A18        1.87414   0.00001  -0.00002  -0.00018  -0.00020   1.87394
   A19        2.20953  -0.00009  -0.00069  -0.00059  -0.00131   2.20822
   A20        2.11691   0.00006   0.00039   0.00062   0.00098   2.11789
   A21        1.95669   0.00003   0.00032   0.00009   0.00035   1.95704
   A22        1.96063  -0.00015  -0.00080  -0.00025  -0.00106   1.95956
   A23        2.03644   0.00017   0.00202   0.00135   0.00337   2.03981
   A24        2.01194   0.00019   0.00047  -0.00020   0.00028   2.01222
   A25        2.23472  -0.00036  -0.00247  -0.00116  -0.00364   2.23108
   A26        1.99201  -0.00022  -0.00011  -0.00235  -0.00246   1.98956
   A27        1.91644  -0.00002  -0.00143   0.00031  -0.00111   1.91533
   A28        1.91525   0.00005   0.00308  -0.00207   0.00101   1.91626
   A29        1.91695   0.00000  -0.00121   0.00225   0.00105   1.91799
   A30        1.87642   0.00007  -0.00169   0.00355   0.00186   1.87828
   A31        1.84026   0.00015   0.00152  -0.00162  -0.00010   1.84016
   A32        1.99557  -0.00019  -0.00110   0.00040  -0.00062   1.99494
   A33        2.12644  -0.00012  -0.00347   0.00365   0.00024   2.12668
   A34        2.01558   0.00023  -0.00257   0.00287   0.00037   2.01595
   A35        1.90032   0.00003  -0.00052   0.00105   0.00053   1.90085
   A36        1.91997  -0.00003  -0.00080  -0.00006  -0.00086   1.91911
   A37        1.96563  -0.00023   0.00026  -0.00277  -0.00250   1.96313
   A38        1.88718   0.00006  -0.00048   0.00167   0.00119   1.88838
   A39        1.90156   0.00008   0.00009   0.00110   0.00119   1.90275
   A40        1.88756   0.00011   0.00143  -0.00082   0.00061   1.88817
   A41        2.11942   0.00054  -0.00007  -0.00044  -0.00061   2.11881
   A42        2.05746  -0.00059  -0.00117  -0.00218  -0.00345   2.05401
   A43        2.10630   0.00005   0.00108   0.00267   0.00364   2.10994
   A44        2.03844  -0.00033  -0.00419   0.00996   0.00588   2.04432
   A45        2.08172  -0.00012  -0.00427  -0.00006  -0.00422   2.07750
   A46        1.97895   0.00039  -0.00244   0.00339   0.00108   1.98003
   A47        1.89615   0.00060   0.00112   0.00529   0.00637   1.90252
   A48        1.91114   0.00108   0.00035   0.00563   0.00595   1.91709
   A49        1.88946  -0.00036  -0.00192   0.00951   0.00764   1.89709
   A50        1.93952  -0.00242  -0.00092   0.00431   0.00332   1.94284
   A51        1.93110   0.00100   0.00010  -0.01075  -0.01070   1.92040
   A52        1.89579   0.00016   0.00124  -0.01362  -0.01241   1.88337
   A53        2.13373  -0.00069  -0.00116   0.00617   0.00494   2.13867
   A54        2.03355   0.00094   0.00009  -0.00756  -0.00754   2.02601
   A55        2.11576  -0.00023   0.00107   0.00102   0.00202   2.11778
   A56        2.11103  -0.00128  -0.00005   0.00665   0.00661   2.11764
   A57        2.12132   0.00052  -0.00064  -0.00452  -0.00515   2.11617
   A58        2.03892   0.00054  -0.00014  -0.00148  -0.00161   2.03730
   A59        1.90933   0.00082  -0.00241   0.00458   0.00217   1.91149
   A60        1.93640  -0.00246   0.00038   0.00031   0.00069   1.93709
   A61        1.87147   0.00073   0.00120   0.00446   0.00567   1.87713
   A62        1.95823   0.00160  -0.00069   0.00114   0.00044   1.95867
   A63        1.88818  -0.00072  -0.00047  -0.00721  -0.00769   1.88049
   A64        1.89753   0.00003   0.00209  -0.00338  -0.00131   1.89622
   A65        1.99658  -0.00030  -0.00076  -0.00227  -0.00304   1.99354
   A66        1.89537   0.00013  -0.00073   0.00397   0.00324   1.89861
   A67        1.89897   0.00000   0.00039  -0.00312  -0.00274   1.89623
   A68        1.91757   0.00013   0.00014   0.00366   0.00380   1.92136
   A69        1.92308   0.00009   0.00125  -0.00279  -0.00155   1.92154
   A70        1.82411  -0.00004  -0.00027   0.00088   0.00061   1.82472
   A71        2.09456   0.00004  -0.00011   0.00129   0.00117   2.09573
   A72        2.10340  -0.00005   0.00012  -0.00070  -0.00059   2.10282
   A73        2.08519   0.00001   0.00000  -0.00057  -0.00057   2.08462
   A74        2.09710  -0.00003  -0.00008   0.00039   0.00031   2.09741
   A75        2.09760   0.00003  -0.00003  -0.00033  -0.00036   2.09724
   A76        2.08840   0.00000   0.00011  -0.00007   0.00004   2.08844
   A77        2.09857   0.00001   0.00013  -0.00020  -0.00006   2.09851
   A78        2.09047   0.00001  -0.00002   0.00016   0.00014   2.09060
   A79        2.09414  -0.00001  -0.00011   0.00004  -0.00007   2.09407
   A80        2.08972   0.00002  -0.00005   0.00012   0.00007   2.08979
   A81        2.09698  -0.00002   0.00014  -0.00074  -0.00061   2.09637
   A82        2.09648   0.00000  -0.00009   0.00063   0.00054   2.09701
   A83        2.09918   0.00001   0.00004  -0.00007  -0.00003   2.09914
   A84        2.09268   0.00000   0.00012  -0.00029  -0.00017   2.09251
   A85        2.09133  -0.00001  -0.00016   0.00036   0.00020   2.09153
   A86        2.09656  -0.00002  -0.00005   0.00034   0.00029   2.09685
   A87        2.09780  -0.00001  -0.00005  -0.00006  -0.00012   2.09768
   A88        2.08881   0.00003   0.00010  -0.00027  -0.00017   2.08865
   A89        1.95678  -0.00198   0.00280  -0.00355  -0.00074   1.95604
   A90        1.92729   0.00027   0.00067   0.00035   0.00103   1.92832
   A91        1.90744   0.00091  -0.00121   0.00349   0.00228   1.90972
   A92        1.89648   0.00072   0.00064   0.00153   0.00217   1.89866
   A93        1.92967   0.00065  -0.00111   0.00042  -0.00070   1.92897
   A94        1.84283  -0.00047  -0.00210  -0.00214  -0.00424   1.83859
   A95        1.87959   0.00065   0.00201  -0.00140   0.00058   1.88016
   A96        1.97076   0.00177  -0.00228   0.00518   0.00288   1.97364
   A97        1.95150  -0.00046   0.00123   0.00032   0.00155   1.95305
   A98        1.80188  -0.00089  -0.00047   0.00796   0.00749   1.80936
   A99        1.90348  -0.00025   0.00046  -0.00074  -0.00025   1.90323
   A100       1.94827  -0.00084  -0.00087  -0.01060  -0.01146   1.93681
   A101       1.92052  -0.00024  -0.00035   0.00044   0.00009   1.92061
   A102       1.93832   0.00126   0.00054  -0.00140  -0.00103   1.93730
   A103       1.90532  -0.00242   0.00013  -0.00828  -0.00826   1.89706
   A104       1.90350   0.00040  -0.00007   0.00222   0.00214   1.90564
   A105       1.97498   0.00039  -0.00278  -0.01181  -0.01465   1.96033
   A106       1.90848  -0.00024   0.00176   0.01274   0.01453   1.92301
   A107       1.82924   0.00058   0.00048   0.00751   0.00806   1.83731
   A108       1.94772   0.00021   0.00044  -0.00070  -0.00030   1.94741
   A109       1.92780  -0.00035  -0.00096  -0.00836  -0.00935   1.91845
   A110       1.91345   0.00002  -0.00255   0.01056   0.00800   1.92145
   A111       1.91917   0.00001   0.00061  -0.00694  -0.00638   1.91278
   A112       1.92479  -0.00009  -0.00113   0.00530   0.00415   1.92895
   A113       1.82730   0.00020   0.00374   0.00028   0.00406   1.83136
   A114       2.09163   0.00018   0.00136  -0.00299  -0.00163   2.09000
   A115       2.10136  -0.00014  -0.00133   0.00308   0.00174   2.10310
   A116       2.09019  -0.00004  -0.00003  -0.00007  -0.00011   2.09008
   A117       2.09443   0.00003  -0.00001   0.00072   0.00071   2.09514
   A118       2.08664  -0.00001  -0.00023  -0.00077  -0.00100   2.08564
   A119       2.10211  -0.00002   0.00024   0.00003   0.00027   2.10237
   A120       2.09824   0.00001   0.00017  -0.00072  -0.00055   2.09769
   A121       2.09122   0.00001  -0.00011   0.00087   0.00076   2.09198
   A122       2.09372  -0.00002  -0.00006  -0.00015  -0.00021   2.09351
   A123       2.09132   0.00000  -0.00010   0.00017   0.00007   2.09140
   A124       2.09559  -0.00001   0.00001  -0.00034  -0.00032   2.09526
   A125       2.09627   0.00001   0.00009   0.00016   0.00025   2.09652
   A126       2.09862   0.00000  -0.00001   0.00002   0.00002   2.09864
   A127       2.09327   0.00001   0.00018   0.00001   0.00019   2.09347
   A128       2.09129  -0.00001  -0.00017  -0.00004  -0.00021   2.09108
   A129       2.09357   0.00001  -0.00002  -0.00014  -0.00016   2.09341
   A130       2.09875   0.00006   0.00088  -0.00097  -0.00010   2.09865
   A131       2.09087  -0.00006  -0.00086   0.00111   0.00026   2.09112
   A132       2.09574  -0.00328  -0.00132  -0.00392  -0.00576   2.08998
   A133       1.94161   0.00090   0.00076   0.02365   0.02382   1.96543
   A134       1.99959   0.00138   0.00265   0.02060   0.02264   2.02224
   A135       2.27450  -0.00063  -0.00127  -0.00152  -0.00283   2.27167
   A136       1.87652  -0.00026  -0.00087   0.00171   0.00080   1.87733
   A137       2.12617   0.00118   0.00305   0.00112   0.00412   2.13030
   A138       2.03084  -0.00082   0.00019  -0.00319  -0.00301   2.02783
   A139       1.89291  -0.00226   0.00014  -0.00308  -0.00294   1.88997
   A140       1.77117   0.00055  -0.00045   0.00309   0.00264   1.77381
   A141       1.90567   0.00109   0.00145   0.00057   0.00202   1.90769
   A142       1.96794   0.00115   0.00088  -0.00030   0.00058   1.96853
   A143       1.98917  -0.00029  -0.00018  -0.00280  -0.00298   1.98619
   A144       1.92326  -0.00018  -0.00177   0.00307   0.00129   1.92456
   A145       2.25456   0.00036   0.00037  -0.00326  -0.00298   2.25158
   A146       2.11809  -0.00047  -0.00050   0.00318   0.00258   2.12068
   A147       1.90978   0.00010   0.00014  -0.00091  -0.00093   1.90885
   A148       2.01376   0.00000  -0.00016   0.00138   0.00116   2.01492
   A149       2.21359  -0.00003  -0.00007  -0.00220  -0.00228   2.21131
   A150       2.05583   0.00004   0.00023   0.00083   0.00106   2.05689
   A151       1.95226  -0.00024   0.00009  -0.00111  -0.00102   1.95124
   A152       1.97145   0.00021   0.00001  -0.00012  -0.00045   1.97100
   A153       2.18892  -0.00012  -0.00018  -0.00174  -0.00227   2.18666
   A154       2.12281  -0.00009   0.00017   0.00174   0.00156   2.12437
   A155       1.57749  -0.00007  -0.00011   0.00052   0.00039   1.57788
   A156       1.96864  -0.00033  -0.00192   0.01323   0.01130   1.97993
   A157       1.92017   0.00002   0.00036  -0.00893  -0.00853   1.91164
   A158       1.85218   0.00022   0.00237   0.00240   0.00478   1.85695
   A159       1.93912  -0.00044  -0.00201  -0.00268  -0.00467   1.93446
   A160       1.88758   0.00058   0.00114  -0.00628  -0.00518   1.88240
   A161       1.89234   0.00000   0.00035   0.00224   0.00258   1.89493
   A162       1.95881  -0.00037   0.00072   0.00068   0.00138   1.96019
   A163       1.96700  -0.00110   0.00034   0.00002   0.00038   1.96737
   A164       1.94311  -0.00004  -0.00375   0.00342  -0.00032   1.94279
   A165       1.85292   0.00075  -0.00104   0.00616   0.00512   1.85804
   A166       1.86048   0.00046   0.01044  -0.02532  -0.01489   1.84558
   A167       1.87508   0.00044  -0.00639   0.01431   0.00795   1.88303
   A168       1.93076   0.00017   0.00040   0.00284   0.00324   1.93400
   A169       1.96644  -0.00021   0.00010  -0.00454  -0.00444   1.96200
   A170       1.96178  -0.00012  -0.00060  -0.00231  -0.00292   1.95886
   A171       1.85092   0.00016   0.00172  -0.00048   0.00125   1.85217
   A172       1.86226   0.00002   0.00070   0.00321   0.00391   1.86617
   A173       1.88532  -0.00001  -0.00221   0.00177  -0.00045   1.88487
   A174       1.91530  -0.00005  -0.00033   0.00072   0.00030   1.91560
   A175       2.24542  -0.00029  -0.00259  -0.00058  -0.00328   2.24214
   A176       2.12243   0.00035   0.00292   0.00005   0.00286   2.12529
   A177       1.58020  -0.00003   0.00033  -0.00030   0.00003   1.58023
    D1        1.10075   0.00005  -0.00862  -0.00519  -0.01382   1.08693
    D2       -3.02873  -0.00006  -0.00995  -0.00537  -0.01532  -3.04405
    D3       -0.97792   0.00000  -0.00869  -0.00575  -0.01444  -0.99236
    D4       -3.09549   0.00004  -0.00848  -0.00699  -0.01547  -3.11096
    D5       -0.94178  -0.00007  -0.00981  -0.00717  -0.01698  -0.95876
    D6        1.10903  -0.00001  -0.00856  -0.00755  -0.01610   1.09293
    D7       -0.99117   0.00003  -0.00862  -0.00432  -0.01294  -1.00412
    D8        1.16254  -0.00007  -0.00995  -0.00450  -0.01445   1.14809
    D9       -3.06984  -0.00001  -0.00869  -0.00488  -0.01357  -3.08341
   D10        1.00834   0.00000  -0.00283  -0.00849  -0.01132   0.99702
   D11        3.11548  -0.00004  -0.00315  -0.00849  -0.01164   3.10384
   D12       -1.08128  -0.00002  -0.00309  -0.00892  -0.01201  -1.09329
   D13       -1.14254   0.00001  -0.00321  -0.00711  -0.01032  -1.15287
   D14        0.96460  -0.00003  -0.00354  -0.00711  -0.01065   0.95395
   D15        3.05102  -0.00002  -0.00348  -0.00754  -0.01102   3.04001
   D16        3.08697   0.00003  -0.00316  -0.00579  -0.00895   3.07802
   D17       -1.08907  -0.00001  -0.00348  -0.00579  -0.00928  -1.09835
   D18        0.99735   0.00000  -0.00343  -0.00622  -0.00965   0.98771
   D19        2.02712   0.00017   0.02804  -0.02414   0.00391   2.03103
   D20       -1.10258  -0.00008   0.02059  -0.03742  -0.01683  -1.11941
   D21       -2.08892   0.00010   0.02742  -0.02530   0.00212  -2.08680
   D22        1.06457  -0.00014   0.01997  -0.03858  -0.01862   1.04595
   D23       -0.02947   0.00011   0.02730  -0.02631   0.00099  -0.02848
   D24        3.12401  -0.00014   0.01985  -0.03959  -0.01974   3.10427
   D25       -3.13396   0.00002  -0.00230  -0.00532  -0.00761  -3.14157
   D26       -0.00334   0.00025   0.00457   0.00693   0.01151   0.00817
   D27        3.13562  -0.00009   0.00088   0.00014   0.00102   3.13665
   D28        0.00433  -0.00030  -0.00558  -0.01137  -0.01695  -0.01262
   D29        3.12909  -0.00002   0.00079   0.00182   0.00259   3.13168
   D30        0.00018  -0.00005  -0.00075   0.00295   0.00219   0.00237
   D31        2.18023   0.00003   0.01144  -0.05955  -0.04811   2.13212
   D32       -1.94202  -0.00014   0.00867  -0.05806  -0.04939  -1.99141
   D33        0.07305   0.00006   0.01144  -0.06101  -0.04957   0.02348
   D34       -0.97593   0.00007   0.01323  -0.06084  -0.04761  -1.02354
   D35        1.18501  -0.00010   0.01046  -0.05935  -0.04889   1.13612
   D36       -3.08310   0.00009   0.01323  -0.06230  -0.04907  -3.13217
   D37        0.00310  -0.00018  -0.00349  -0.01145  -0.01495  -0.01184
   D38        3.13676   0.00011  -0.00365   0.01539   0.01171  -3.13472
   D39       -3.12410  -0.00022  -0.00527  -0.01020  -0.01546  -3.13956
   D40        0.00955   0.00007  -0.00543   0.01665   0.01119   0.02074
   D41       -1.23266   0.00010   0.01993  -0.03946  -0.01952  -1.25219
   D42        1.32935   0.00002   0.00671  -0.02616  -0.01945   1.30990
   D43        2.88985   0.00028   0.02283  -0.03991  -0.01707   2.87277
   D44       -0.83132   0.00020   0.00960  -0.02660  -0.01700  -0.84832
   D45        0.89599   0.00007   0.02256  -0.04105  -0.01849   0.87750
   D46       -2.82518  -0.00001   0.00933  -0.02775  -0.01842  -2.84360
   D47       -1.13115  -0.00008   0.00444  -0.01654  -0.01210  -1.14324
   D48        3.08689  -0.00015   0.00580  -0.01916  -0.01336   3.07353
   D49        0.97991  -0.00011   0.00436  -0.01622  -0.01186   0.96806
   D50        2.55195   0.00010   0.01716  -0.02930  -0.01214   2.53981
   D51        0.48680   0.00003   0.01852  -0.03193  -0.01341   0.47339
   D52       -1.62017   0.00007   0.01708  -0.02898  -0.01190  -1.63208
   D53       -2.85717  -0.00044  -0.00769  -0.01941  -0.02706  -2.88424
   D54        0.28182   0.00098   0.00625   0.00027   0.00652   0.28834
   D55       -0.30128  -0.00065  -0.02058  -0.00671  -0.02730  -0.32858
   D56        2.83771   0.00077  -0.00665   0.01296   0.00629   2.84400
   D57        2.81881  -0.00038   0.00087  -0.01327  -0.01245   2.80636
   D58        0.33255  -0.00043   0.01816  -0.03543  -0.01725   0.31529
   D59       -0.32536   0.00103   0.01472   0.00625   0.02095  -0.30441
   D60       -2.81162   0.00098   0.03201  -0.01592   0.01614  -2.79548
   D61       -1.71519  -0.00073   0.02098  -0.00787   0.01312  -1.70207
   D62        2.44685   0.00120   0.02119  -0.01990   0.00129   2.44814
   D63        0.38278   0.00062   0.02062  -0.01221   0.00841   0.39119
   D64        0.80869  -0.00085   0.00401   0.01155   0.01557   0.82426
   D65       -1.31245   0.00108   0.00423  -0.00048   0.00374  -1.30871
   D66        2.90666   0.00049   0.00366   0.00721   0.01086   2.91752
   D67       -0.64075   0.00012  -0.00185   0.06857   0.06670  -0.57404
   D68        2.48249   0.00186  -0.00194   0.04650   0.04453   2.52702
   D69        1.46293   0.00035  -0.00127   0.08164   0.08038   1.54331
   D70       -1.69701   0.00208  -0.00136   0.05957   0.05820  -1.63881
   D71       -2.71268  -0.00040  -0.00025   0.06006   0.05984  -2.65284
   D72        0.41056   0.00134  -0.00034   0.03800   0.03767   0.44823
   D73        1.08191   0.00096   0.01333   0.00036   0.01373   1.09564
   D74       -3.02546   0.00016   0.00958  -0.00026   0.00933  -3.01613
   D75       -0.98181   0.00029   0.01151  -0.00084   0.01065  -0.97116
   D76       -1.01289   0.00104   0.01229  -0.01262  -0.00030  -1.01319
   D77        1.16292   0.00024   0.00854  -0.01324  -0.00470   1.15823
   D78       -3.07661   0.00037   0.01047  -0.01382  -0.00337  -3.07999
   D79       -3.14114   0.00123   0.01193   0.00711   0.01905  -3.12209
   D80       -0.96533   0.00043   0.00818   0.00649   0.01465  -0.95068
   D81        1.07832   0.00056   0.01011   0.00591   0.01598   1.09430
   D82       -3.14063  -0.00274  -0.00627  -0.00683  -0.01312   3.12944
   D83        0.17156  -0.00124  -0.00055  -0.01134  -0.01190   0.15966
   D84       -0.01718  -0.00103  -0.00638  -0.02860  -0.03497  -0.05215
   D85       -2.98818   0.00048  -0.00067  -0.03310  -0.03376  -3.02194
   D86        2.55554   0.00103  -0.02427   0.02075  -0.00352   2.55202
   D87       -1.55802   0.00194  -0.02657   0.02562  -0.00095  -1.55897
   D88        0.51173   0.00104  -0.02310   0.02440   0.00130   0.51303
   D89       -0.74890  -0.00040  -0.02977   0.02471  -0.00506  -0.75396
   D90        1.42073   0.00051  -0.03208   0.02959  -0.00249   1.41824
   D91       -2.79271  -0.00039  -0.02860   0.02836  -0.00024  -2.79295
   D92        1.06561  -0.00075   0.00618  -0.00456   0.00162   1.06724
   D93       -1.08317  -0.00081   0.00709  -0.01075  -0.00366  -1.08683
   D94       -3.05883  -0.00084   0.00758  -0.01223  -0.00464  -3.06347
   D95       -1.09119   0.00071   0.00790  -0.00905  -0.00114  -1.09234
   D96        3.04321   0.00064   0.00881  -0.01524  -0.00642   3.03678
   D97        1.06755   0.00062   0.00931  -0.01672  -0.00740   1.06015
   D98        3.09886   0.00017   0.00604  -0.00078   0.00525   3.10411
   D99        0.95007   0.00011   0.00694  -0.00697  -0.00003   0.95004
   D100      -1.02558   0.00008   0.00744  -0.00845  -0.00101  -1.02660
   D101       1.24452  -0.00040   0.01402  -0.01357   0.00044   1.24496
   D102      -0.87299  -0.00015   0.01079  -0.01334  -0.00255  -0.87554
   D103      -2.89282  -0.00027   0.01364  -0.01298   0.00066  -2.89216
   D104      -2.89710   0.00001   0.01068  -0.00660   0.00408  -2.89302
   D105       1.26858   0.00026   0.00745  -0.00637   0.00108   1.26967
   D106      -0.75125   0.00014   0.01030  -0.00601   0.00430  -0.74695
   D107      -0.80942   0.00012   0.01105  -0.01713  -0.00608  -0.81549
   D108      -2.92692   0.00037   0.00782  -0.01690  -0.00907  -2.93599
   D109       1.33643   0.00025   0.01067  -0.01653  -0.00586   1.33058
   D110      -1.63724  -0.00009   0.00542  -0.00751  -0.00208  -1.63933
   D111       1.51351  -0.00010   0.00516  -0.00914  -0.00398   1.50953
   D112       0.49951  -0.00003   0.00402  -0.00113   0.00290   0.50241
   D113      -2.63292  -0.00004   0.00376  -0.00276   0.00100  -2.63192
   D114       2.50018   0.00005   0.00449   0.00044   0.00492   2.50511
   D115      -0.63225   0.00004   0.00422  -0.00119   0.00303  -0.62922
   D116       3.14003   0.00000  -0.00042  -0.00041  -0.00084   3.13919
   D117      -0.01598  -0.00002  -0.00049  -0.00122  -0.00171  -0.01769
   D118      -0.01062   0.00001  -0.00016   0.00120   0.00104  -0.00959
   D119       3.11656  -0.00001  -0.00023   0.00039   0.00016   3.11671
   D120      -3.14010   0.00001   0.00047   0.00102   0.00149  -3.13861
   D121       0.00765   0.00000   0.00110  -0.00156  -0.00046   0.00719
   D122       0.01060  -0.00001   0.00021  -0.00060  -0.00040   0.01020
   D123      -3.12483  -0.00002   0.00084  -0.00319  -0.00235  -3.12719
   D124       0.00274  -0.00001   0.00001  -0.00104  -0.00104   0.00170
   D125       3.14043  -0.00002  -0.00005  -0.00118  -0.00123   3.13921
   D126      -3.12452   0.00001   0.00008  -0.00023  -0.00016  -3.12467
   D127       0.01318   0.00000   0.00002  -0.00037  -0.00035   0.01283
   D128       0.00524   0.00000   0.00010   0.00029   0.00039   0.00562
   D129      -3.14110   0.00000  -0.00023   0.00030   0.00007  -3.14103
   D130      -3.13245   0.00001   0.00015   0.00042   0.00058  -3.13187
   D131       0.00440   0.00000  -0.00018   0.00044   0.00026   0.00466
   D132      -0.00526   0.00000  -0.00005   0.00031   0.00026  -0.00501
   D133       3.13408   0.00000  -0.00021   0.00065   0.00044   3.13452
   D134       3.14107   0.00001   0.00028   0.00030   0.00057  -3.14154
   D135      -0.00277   0.00001   0.00012   0.00064   0.00076  -0.00201
   D136      -0.00269   0.00000  -0.00010  -0.00015  -0.00025  -0.00294
   D137       3.13277   0.00001  -0.00073   0.00242   0.00169   3.13447
   D138       3.14116   0.00000   0.00005  -0.00049  -0.00044   3.14072
   D139      -0.00657   0.00001  -0.00058   0.00208   0.00151  -0.00506
   D140      -1.69015   0.00060   0.01660  -0.01092   0.00569  -1.68445
   D141       2.61525   0.00036   0.01718  -0.02244  -0.00526   2.60999
   D142       0.40068   0.00043   0.01922  -0.01254   0.00668   0.40736
   D143       0.44498   0.00014   0.01977  -0.01174   0.00802   0.45300
   D144      -1.53282  -0.00010   0.02035  -0.02327  -0.00293  -1.53574
   D145       2.53580  -0.00003   0.02238  -0.01337   0.00901   2.54481
   D146       2.45980   0.00035   0.01700  -0.01321   0.00379   2.46359
   D147       0.48200   0.00011   0.01758  -0.02474  -0.00716   0.47485
   D148      -1.73256   0.00018   0.01962  -0.01484   0.00478  -1.72779
   D149       1.80813  -0.00046   0.00215   0.08856   0.09071   1.89884
   D150      -2.38650   0.00140   0.00021   0.09784   0.09806  -2.28844
   D151      -0.31288  -0.00015  -0.00083   0.08945   0.08863  -0.22425
   D152      -1.20590  -0.00011  -0.00744   0.02779   0.02035  -1.18555
   D153       2.88779   0.00025  -0.00436   0.04985   0.04550   2.93329
   D154       0.89851   0.00064  -0.00496   0.04418   0.03922   0.93773
   D155       3.05265  -0.00119  -0.00847   0.02236   0.01388   3.06653
   D156       0.86315  -0.00082  -0.00539   0.04443   0.03903   0.90218
   D157      -1.12613  -0.00043  -0.00599   0.03875   0.03275  -1.09339
   D158       1.01038   0.00001  -0.00834   0.02367   0.01534   1.02572
   D159      -1.17911   0.00038  -0.00526   0.04574   0.04049  -1.13863
   D160       3.11479   0.00077  -0.00586   0.04007   0.03421  -3.13419
   D161       2.91356   0.00106   0.00159   0.03072   0.03230   2.94586
   D162      -1.22900   0.00097   0.00199   0.01541   0.01742  -1.21158
   D163       0.77584   0.00103   0.00450   0.01710   0.02159   0.79742
   D164      -1.21965  -0.00088   0.00013   0.01002   0.01018  -1.20948
   D165       0.92097  -0.00097   0.00053  -0.00529  -0.00471   0.91627
   D166       2.92581  -0.00091   0.00303  -0.00359  -0.00054   2.92527
   D167       0.81210  -0.00008   0.00019   0.02053   0.02068   0.83278
   D168       2.95273  -0.00017   0.00059   0.00522   0.00580   2.95853
   D169      -1.32562  -0.00012   0.00309   0.00691   0.00997  -1.31566
   D170       1.29369  -0.00033  -0.00661   0.03402   0.02754   1.32123
   D171      -1.11119   0.00018  -0.01045  -0.02630  -0.03676  -1.14795
   D172      -0.87440  -0.00042  -0.00544   0.05048   0.04505  -0.82935
   D173       3.00390   0.00010  -0.00928  -0.00984  -0.01925   2.98465
   D174      -2.95246  -0.00071  -0.00638   0.03661   0.03030  -2.92216
   D175       0.92584  -0.00019  -0.01022  -0.02371  -0.03400   0.89184
   D176       1.65884  -0.00011   0.00290   0.00692   0.00983   1.66867
   D177      -1.48680  -0.00010   0.00280   0.01222   0.01502  -1.47178
   D178      -0.48671   0.00018   0.00340   0.02299   0.02638  -0.46034
   D179       2.65082   0.00019   0.00330   0.02828   0.03157   2.68239
   D180      -2.49314  -0.00001  -0.00083   0.02362   0.02279  -2.47035
   D181       0.64440   0.00000  -0.00093   0.02891   0.02798   0.67238
   D182       3.13673   0.00000   0.00001   0.00048   0.00048   3.13721
   D183      -0.01014  -0.00005  -0.00084  -0.00285  -0.00370  -0.01385
   D184      -0.00084  -0.00001   0.00011  -0.00478  -0.00467  -0.00551
   D185       3.13548  -0.00006  -0.00074  -0.00812  -0.00886   3.12662
   D186      -3.13617   0.00000   0.00018  -0.00097  -0.00079  -3.13696
   D187       0.00608   0.00000   0.00019  -0.00215  -0.00196   0.00412
   D188       0.00137   0.00002   0.00009   0.00431   0.00440   0.00577
   D189      -3.13957   0.00001   0.00009   0.00314   0.00323  -3.13634
   D190      -0.00061   0.00000  -0.00017   0.00213   0.00196   0.00135
   D191       3.14023  -0.00002  -0.00046   0.00109   0.00062   3.14086
   D192      -3.13687   0.00005   0.00069   0.00550   0.00619  -3.13069
   D193       0.00396   0.00004   0.00040   0.00445   0.00485   0.00882
   D194       0.00152   0.00001   0.00003   0.00101   0.00104   0.00256
   D195      -3.14077  -0.00001  -0.00031  -0.00019  -0.00051  -3.14128
   D196      -3.13932   0.00002   0.00032   0.00205   0.00238  -3.13694
   D197       0.00158   0.00001  -0.00002   0.00085   0.00083   0.00241
   D198      -0.00098   0.00000   0.00017  -0.00148  -0.00131  -0.00229
   D199       3.14050  -0.00001   0.00022  -0.00168  -0.00146   3.13904
   D200       3.14130   0.00001   0.00051  -0.00028   0.00024   3.14154
   D201      -0.00040   0.00001   0.00056  -0.00048   0.00009  -0.00031
   D202      -0.00046  -0.00001  -0.00023  -0.00119  -0.00142  -0.00188
   D203       3.14048   0.00000  -0.00023  -0.00002  -0.00025   3.14023
   D204       3.14124   0.00000  -0.00027  -0.00099  -0.00127   3.13997
   D205      -0.00101   0.00000  -0.00028   0.00018  -0.00010  -0.00111
   D206       0.64074  -0.00016  -0.01299  -0.03009  -0.04316   0.59758
   D207      -2.61909   0.00276  -0.00282  -0.01706  -0.01997  -2.63907
   D208       3.02288  -0.00096  -0.00984   0.03283   0.02308   3.04596
   D209      -0.23696   0.00195   0.00033   0.04586   0.04626  -0.19069
   D210       3.11806  -0.00232   0.00437  -0.05316  -0.04881   3.06925
   D211      -0.12959   0.00016   0.01323  -0.04170  -0.02845  -0.15804
   D212      -1.50528   0.00156  -0.00422   0.01203   0.00781  -1.49747
   D213       2.70204   0.00092  -0.00506   0.01213   0.00708   2.70912
   D214       0.67157   0.00043  -0.00341   0.00692   0.00350   0.67507
   D215      -1.22952   0.00011   0.03132   0.01419   0.04552  -1.18399
   D216       1.86562  -0.00035   0.03141  -0.01641   0.01500   1.88062
   D217       0.71762   0.00006   0.03133   0.01596   0.04730   0.76492
   D218      -2.47043  -0.00040   0.03141  -0.01463   0.01677  -2.45366
   D219       2.92715   0.00055   0.02948   0.01758   0.04706   2.97421
   D220      -0.26090   0.00010   0.02956  -0.01302   0.01653  -0.24437
   D221       3.10743  -0.00058   0.00051  -0.01825  -0.01769   3.08975
   D222      -0.03525  -0.00016   0.00017  -0.00433  -0.00413  -0.03938
   D223       0.00790  -0.00016   0.00045   0.00936   0.00981   0.01771
   D224      -3.13478   0.00026   0.00011   0.02328   0.02336  -3.11142
   D225      -3.11171   0.00034  -0.00197   0.00525   0.00333  -3.10838
   D226      -0.00830  -0.00003  -0.00189  -0.01998  -0.02188  -0.03018
   D227      -0.00250   0.00033   0.00191   0.01173   0.01364   0.01114
   D228       3.14008  -0.00005   0.00222  -0.00086   0.00135   3.14143
   D229      -0.00419  -0.00034  -0.00335  -0.02723  -0.03058  -0.03477
   D230       3.14032  -0.00007  -0.00316   0.02091   0.01770  -3.12516
   D231       0.00735   0.00022   0.00310   0.02788   0.03100   0.03835
   D232      -3.13704  -0.00004   0.00291  -0.01821  -0.01534   3.13081
   D233      -1.12605  -0.00007   0.03167  -0.03862  -0.00695  -1.13300
   D234       0.96487  -0.00015   0.03108  -0.03012   0.00096   0.96583
   D235       3.07321  -0.00038   0.02044  -0.00914   0.01129   3.08450
   D236       2.99172   0.00049   0.03414  -0.03471  -0.00054   2.99117
   D237      -1.20055   0.00041   0.03355  -0.02621   0.00737  -1.19318
   D238       0.90779   0.00018   0.02292  -0.00523   0.01770   0.92549
   D239       0.91683   0.00039   0.03420  -0.03197   0.00221   0.91904
   D240       3.00775   0.00031   0.03360  -0.02347   0.01012   3.01788
   D241      -1.16710   0.00008   0.02297  -0.00249   0.02045  -1.14664
   D242       2.96649   0.00037   0.00016   0.03039   0.03055   2.99704
   D243      -1.24828   0.00055   0.00269   0.02873   0.03141  -1.21687
   D244       0.88678   0.00030  -0.00059   0.02591   0.02532   0.91210
   D245      -1.12399  -0.00036  -0.00349   0.03900   0.03552  -1.08846
   D246       0.94443  -0.00017  -0.00097   0.03734   0.03638   0.98081
   D247       3.07949  -0.00043  -0.00425   0.03452   0.03029   3.10978
   D248       0.94804   0.00010  -0.00307   0.03112   0.02804   0.97608
   D249       3.01645   0.00028  -0.00055   0.02946   0.02890   3.04535
   D250      -1.13167   0.00003  -0.00383   0.02664   0.02281  -1.10886
   D251      -0.00404   0.00026   0.00491   0.01246   0.01738   0.01334
   D252      -3.13835   0.00000   0.00509  -0.01216  -0.00714   3.13769
         Item               Value     Threshold  Converged?
 Maximum Force            0.003285     0.000450     NO 
 RMS     Force            0.000603     0.000300     NO 
 Maximum Displacement     0.742735     0.001800     NO 
 RMS     Displacement     0.131051     0.001200     NO 
 Predicted change in Energy=-5.506176D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.034396   -2.657468    0.836892
      2          6           0       -8.972384   -1.386880   -0.016983
      3          6           0      -10.007848   -0.351132    0.429432
      4          6           0       -7.595041   -0.801925    0.023723
      5          7           0       -6.773186   -0.667774   -0.990590
      6          6           0       -5.541767   -0.073657   -0.610242
      7          6           0       -4.515540    0.117083   -1.693563
      8          7           0       -4.083794    1.522427   -1.873481
      9          6           0       -5.107484    2.401824   -2.495492
     10          6           0       -3.206506    2.158756   -0.958751
     11          8           0       -3.061942    3.376631   -0.953959
     12          7           0       -2.466615    1.331650   -0.067821
     13          6           0       -1.259761    1.926231    0.564901
     14          6           0       -0.011037    1.497117   -0.233066
     15          8           0        0.072108    0.408451   -0.793874
     16          7           0        1.004993    2.435837   -0.326422
     17          6           0        2.269735    2.138889   -1.056724
     18          6           0        2.793720    3.428378   -1.727046
     19          6           0        3.118170    4.536612   -0.763545
     20          6           0        2.156962    5.517062   -0.469136
     21          6           0        2.455244    6.545895    0.427855
     22          6           0        3.712743    6.607053    1.036292
     23          6           0        4.675186    5.637292    0.738597
     24          6           0        4.382570    4.606455   -0.158353
     25          6           0        3.317723    1.502340   -0.113615
     26          6           0        2.946328    0.063315    0.274592
     27          8           0        2.279843    0.111357    1.556176
     28          6           0        4.188753   -0.837600    0.539443
     29          6           0        4.971632   -1.090721   -0.757559
     30          6           0        6.307167   -1.723266   -0.482635
     31          6           0        6.446540   -3.116766   -0.560726
     32          6           0        7.685735   -3.710504   -0.311652
     33          6           0        8.791520   -2.919150    0.017955
     34          6           0        8.652898   -1.530301    0.100742
     35          6           0        7.415124   -0.930371   -0.147149
     36          7           0        3.732771   -2.103813    1.182021
     37          6           0        3.108876   -3.084204    0.412451
     38          8           0        3.296487   -3.410695   -0.742003
     39          8           0        2.236429   -3.786519    1.250109
     40          6           0        1.410403   -4.804642    0.610860
     41          6           0        0.195880   -4.151014    0.081494
     42          6           0       -0.844188   -3.578674    0.766732
     43          7           0       -1.835047   -2.974466   -0.031331
     44          6           0       -1.568046   -3.092141   -1.313979
     45         16           0       -0.037671   -3.913338   -1.625058
     46          6           0       -1.164654    1.472184    2.054244
     47          6           0       -0.996405   -0.040625    2.220289
     48          6           0       -0.027690    2.225291    2.746752
     49          6           0       -5.431175    0.243201    0.713178
     50         16           0       -6.895602   -0.180161    1.541973
     51          1           0      -10.009697   -3.147371    0.734805
     52          1           0       -8.269993   -3.383024    0.532455
     53          1           0       -8.886468   -2.451618    1.903912
     54          1           0       -9.193149   -1.666923   -1.087173
     55          1           0       -9.896655   -0.075606    1.485040
     56          1           0       -9.933184    0.570994   -0.160611
     57          1           0      -11.026107   -0.738393    0.304147
     58          1           0       -3.627830   -0.530339   -1.490679
     59          1           0       -4.927358   -0.239690   -2.673928
     60          1           0       -5.287725    2.064452   -3.529344
     61          1           0       -4.737819    3.445443   -2.531668
     62          1           0       -6.061298    2.393782   -1.943668
     63          1           0       -2.364668    0.331726   -0.283835
     64          1           0       -1.360474    3.051933    0.550469
     65          1           0        0.982715    3.294537    0.220515
     66          1           0        2.024560    1.399223   -1.876714
     67          1           0        2.042400    3.776334   -2.470945
     68          1           0        3.689056    3.175043   -2.332537
     69          1           0        1.179457    5.487406   -0.950028
     70          1           0        1.705487    7.304526    0.649962
     71          1           0        3.942708    7.408777    1.734873
     72          1           0        5.657743    5.686252    1.206014
     73          1           0        5.140736    3.861109   -0.387924
     74          1           0        3.425078    2.106861    0.813319
     75          1           0        4.313505    1.529159   -0.597995
     76          1           0        2.263969   -0.406924   -0.473535
     77          1           0        1.307455   -0.086534    1.443894
     78          1           0        4.851726   -0.339242    1.302888
     79          1           0        4.378011   -1.749186   -1.438342
     80          1           0        5.098892   -0.140739   -1.317763
     81          1           0        5.577899   -3.731200   -0.808464
     82          1           0        7.790424   -4.792414   -0.372406
     83          1           0        9.755369   -3.383788    0.211147
     84          1           0        9.511160   -0.913119    0.359298
     85          1           0        7.314993    0.149515   -0.079607
     86          1           0        3.337223   -1.951024    2.124934
     87          1           0        1.196571   -5.484951    1.460402
     88          1           0        2.008647   -5.330492   -0.161474
     89          1           0       -0.967258   -3.538934    1.845131
     90          1           0       -2.175423   -2.695422   -2.118639
     91          1           0       -2.135403    1.766016    2.538031
     92          1           0       -1.873671   -0.599344    1.865644
     93          1           0       -0.126221   -0.437424    1.664097
     94          1           0       -0.875563   -0.314656    3.274514
     95          1           0       -0.034221    2.033321    3.827779
     96          1           0        0.964151    1.911603    2.386578
     97          1           0       -0.108109    3.309055    2.615072
     98          1           0       -4.600455    0.702822    1.226245
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0712393      0.0297069      0.0227817
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3601.5024896694 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.248620330053     A.U. after   19 cycles
             Convg  =    0.5090D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000328453   -0.000047828   -0.000260766
      2        6          -0.000558438   -0.000082761    0.000125234
      3        6           0.000302867   -0.000195991   -0.000086768
      4        6           0.000399374    0.000151576   -0.000747338
      5        7           0.000577137    0.000163054    0.000521278
      6        6          -0.000534071    0.000303415    0.000085264
      7        6           0.000258923    0.001008262    0.001236010
      8        7          -0.001222567    0.000239166   -0.000092904
      9        6           0.001074272    0.000019375   -0.000611574
     10        6          -0.001163106   -0.002030561   -0.000716055
     11        8          -0.000431848    0.000200112    0.000969960
     12        7          -0.002310852   -0.004628799    0.001452709
     13        6           0.001108618    0.002430205    0.001580767
     14        6           0.001106651    0.002582501   -0.002088122
     15        8           0.000180976   -0.001264049    0.001235171
     16        7          -0.001884052   -0.000054561   -0.000324929
     17        6          -0.000906308    0.000882689    0.001936367
     18        6          -0.000130030   -0.000623604    0.000442318
     19        6           0.000239363   -0.000149378   -0.000107859
     20        6          -0.000055103    0.000325898   -0.000126450
     21        6          -0.000001971    0.000033657    0.000010061
     22        6           0.000071060   -0.000036528   -0.000025746
     23        6           0.000027497    0.000003133   -0.000007846
     24        6          -0.000014322    0.000050925    0.000123230
     25        6           0.001912605    0.001451926    0.000197057
     26        6           0.001729501   -0.001181631   -0.001774271
     27        8          -0.000224280    0.000266437   -0.000173024
     28        6          -0.001023894   -0.001915768   -0.000760328
     29        6          -0.000657055   -0.001103268   -0.001034120
     30        6          -0.000610484   -0.001164481   -0.000079766
     31        6          -0.001063623   -0.000060833    0.000352273
     32        6          -0.000050933   -0.000139345   -0.000010687
     33        6          -0.000018857    0.000027044    0.000077256
     34        6          -0.000084949   -0.000055775   -0.000008880
     35        6           0.000206009    0.000066135   -0.000306629
     36        7           0.000245304   -0.000788568    0.001172656
     37        6           0.000918101    0.002341870    0.001994999
     38        8           0.001378737    0.000898843    0.001233461
     39        8          -0.000533701   -0.000003287   -0.000296400
     40        6          -0.000195236    0.000431026    0.000095493
     41        6          -0.000260373   -0.000829167   -0.001495710
     42        6           0.000852430   -0.000807150    0.000334469
     43        7           0.000997468    0.000933898    0.000852595
     44        6          -0.000796462   -0.002898577   -0.002235359
     45       16           0.000121283    0.001632815    0.000557531
     46        6           0.000222304    0.002202082    0.000418396
     47        6          -0.000257579    0.001052701   -0.001066337
     48        6          -0.000322435   -0.000562189    0.000263519
     49        6           0.000834073   -0.000674271   -0.000807169
     50       16          -0.000299274    0.000389549    0.000565529
     51        1           0.000059211    0.000127502    0.000118788
     52        1          -0.000240591   -0.000013695    0.000019371
     53        1          -0.000101420    0.000058456   -0.000187635
     54        1          -0.000075086    0.000013129    0.000281724
     55        1          -0.000092720    0.000043892   -0.000016614
     56        1           0.000059153   -0.000000376    0.000013621
     57        1          -0.000002234    0.000015859   -0.000024184
     58        1          -0.000067340   -0.000364553    0.000278331
     59        1           0.000083240    0.000051747    0.000008805
     60        1           0.000113104   -0.000106457   -0.000045245
     61        1           0.000141551   -0.000017553   -0.000308759
     62        1           0.000279134    0.000148107   -0.000129872
     63        1          -0.000854637    0.000075181    0.000382746
     64        1           0.001093671    0.001349407   -0.000458992
     65        1          -0.000346934   -0.000303001   -0.000212706
     66        1           0.000602052   -0.000812626    0.000758504
     67        1           0.000065765   -0.000150505    0.000242945
     68        1          -0.000078144    0.000053856   -0.000260802
     69        1          -0.000072544   -0.000017792    0.000030021
     70        1           0.000033092   -0.000025855   -0.000001497
     71        1          -0.000025198   -0.000072520    0.000011322
     72        1          -0.000080202   -0.000007536    0.000011850
     73        1          -0.000036053   -0.000015835   -0.000078965
     74        1           0.000304527    0.000470904   -0.000013457
     75        1           0.000401056    0.000195999   -0.000072231
     76        1           0.000599627   -0.000309825   -0.000382835
     77        1          -0.000010499   -0.000275792   -0.000583102
     78        1          -0.000088689    0.000822629   -0.000311187
     79        1          -0.000076758    0.000518512   -0.001686644
     80        1          -0.000109123   -0.000232278    0.000753499
     81        1          -0.000266392    0.000600080   -0.000095562
     82        1           0.000045470    0.000026586   -0.000041706
     83        1          -0.000053563   -0.000037243   -0.000029999
     84        1          -0.000022955    0.000008778    0.000026527
     85        1          -0.000037778    0.000031834    0.000032376
     86        1          -0.000231319    0.000034864   -0.000247181
     87        1          -0.000181863   -0.000170559    0.000415193
     88        1          -0.000089225    0.000025639    0.000318514
     89        1           0.000132161    0.000345062    0.000239722
     90        1          -0.000154358    0.000885128    0.000461750
     91        1          -0.000540009    0.000167567   -0.000582047
     92        1           0.000036899    0.000432756   -0.001818694
     93        1           0.001656419   -0.000873980    0.000087474
     94        1          -0.000832105   -0.001078534   -0.000179176
     95        1           0.000032551   -0.000026310   -0.000244633
     96        1          -0.000223431   -0.000122245    0.000348873
     97        1           0.000040468   -0.000287254    0.000293335
     98        1          -0.000269188    0.000028925    0.000289865
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004628799 RMS     0.000783492

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.006532508 RMS     0.001115124
 Search for a local minimum.
 Step number  40 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   36   38   40   39
 DE=  2.46D-04 DEPred=-5.51D-04 R=-4.48D-01
 Trust test=-4.48D-01 RLast= 3.66D-01 DXMaxT set to 5.26D-01
 Use linear search instead of GDIIS.
 Quartic linear search produced a step of -0.58452.
 Iteration  1 RMS(Cart)=  0.07599158 RMS(Int)=  0.00047809
 Iteration  2 RMS(Cart)=  0.00159437 RMS(Int)=  0.00001398
 Iteration  3 RMS(Cart)=  0.00000049 RMS(Int)=  0.00001397
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89526  -0.00026  -0.00029   0.00000  -0.00029   2.89497
    R2        2.07150   0.00016   0.00017   0.00000   0.00017   2.07168
    R3        2.07305   0.00022   0.00057   0.00000   0.00057   2.07362
    R4        2.07250  -0.00018  -0.00011   0.00000  -0.00011   2.07239
    R5        2.89335   0.00031   0.00065   0.00000   0.00065   2.89399
    R6        2.82885  -0.00028  -0.00012   0.00000  -0.00012   2.82873
    R7        2.13168  -0.00016  -0.00022   0.00000  -0.00022   2.13146
    R8        2.07232  -0.00006   0.00001   0.00000   0.00001   2.07234
    R9        2.07357   0.00000  -0.00006   0.00000  -0.00006   2.07351
   R10        2.07226   0.00001   0.00005   0.00000   0.00005   2.07231
   R11        2.47999  -0.00057  -0.00088   0.00000  -0.00088   2.47911
   R12        3.37033   0.00007   0.00100   0.00000   0.00101   3.37134
   R13        2.68184   0.00045   0.00141   0.00000   0.00141   2.68325
   R14        2.84283   0.00019   0.00010   0.00000   0.00010   2.84294
   R15        2.58006   0.00023  -0.00040   0.00000  -0.00040   2.57966
   R16        2.79894   0.00163   0.00265   0.00000   0.00265   2.80160
   R17        2.11138   0.00017  -0.00007   0.00000  -0.00007   2.11131
   R18        2.11953   0.00005   0.00041   0.00000   0.00041   2.11993
   R19        2.80812   0.00194   0.00268   0.00000   0.00268   2.81080
   R20        2.68000   0.00142   0.00172   0.00000   0.00172   2.68172
   R21        2.08312  -0.00007  -0.00030   0.00000  -0.00030   2.08283
   R22        2.09334   0.00020   0.00010   0.00000   0.00010   2.09344
   R23        2.08242   0.00019   0.00033   0.00000   0.00033   2.08275
   R24        2.31762  -0.00082  -0.00009   0.00000  -0.00009   2.31753
   R25        2.68933  -0.00077   0.00031   0.00000   0.00031   2.68964
   R26        2.80951  -0.00645  -0.00589   0.00000  -0.00589   2.80362
   R27        1.94275   0.00061   0.00044   0.00000   0.00044   1.94319
   R28        2.91545  -0.00120  -0.00111   0.00000  -0.00111   2.91434
   R29        2.94782  -0.00264  -0.00211   0.00000  -0.00211   2.94571
   R30        2.13594  -0.00020  -0.00012   0.00000  -0.00012   2.13581
   R31        2.31953  -0.00104  -0.00007   0.00000  -0.00007   2.31946
   R32        2.62000   0.00053  -0.00031   0.00000  -0.00031   2.61969
   R33        2.81632  -0.00266  -0.00283   0.00000  -0.00283   2.81349
   R34        1.92437   0.00014   0.00046   0.00000   0.00046   1.92483
   R35        2.91941   0.00010   0.00120   0.00000   0.00120   2.92062
   R36        2.92324  -0.00374  -0.00732   0.00000  -0.00732   2.91591
   R37        2.13765  -0.00104  -0.00300   0.00000  -0.00300   2.13465
   R38        2.84200  -0.00009  -0.00027   0.00000  -0.00027   2.84173
   R39        2.10341  -0.00018  -0.00035   0.00000  -0.00035   2.10306
   R40        2.09787   0.00018   0.00035   0.00000   0.00035   2.09823
   R41        2.65362  -0.00020  -0.00044   0.00000  -0.00044   2.65318
   R42        2.65225   0.00001   0.00010   0.00000   0.00010   2.65235
   R43        2.64025   0.00008   0.00030   0.00000   0.00030   2.64056
   R44        2.05941  -0.00007  -0.00026   0.00000  -0.00026   2.05916
   R45        2.64240   0.00009  -0.00010   0.00000  -0.00010   2.64231
   R46        2.05884   0.00004   0.00011   0.00000   0.00011   2.05895
   R47        2.64248   0.00010   0.00028   0.00000   0.00028   2.64276
   R48        2.05595   0.00007   0.00021   0.00000   0.00021   2.05616
   R49        2.64073   0.00003  -0.00014   0.00000  -0.00014   2.64059
   R50        2.05824   0.00007   0.00015   0.00000   0.00015   2.05838
   R51        2.05543   0.00001  -0.00003   0.00000  -0.00003   2.05540
   R52        2.90270  -0.00337  -0.00573   0.00000  -0.00573   2.89697
   R53        2.10106  -0.00035  -0.00021   0.00000  -0.00021   2.10085
   R54        2.09319  -0.00035  -0.00010   0.00000  -0.00010   2.09308
   R55        2.73127  -0.00069  -0.00039   0.00000  -0.00039   2.73088
   R56        2.94301   0.00166   0.00417   0.00000   0.00417   2.94718
   R57        2.10976  -0.00001  -0.00125   0.00000  -0.00125   2.10851
   R58        1.88718  -0.00022  -0.00056   0.00000  -0.00056   1.88662
   R59        2.90255   0.00260   0.00146   0.00000   0.00146   2.90401
   R60        2.81824   0.00407   0.00584   0.00000   0.00584   2.82408
   R61        2.13024  -0.00082  -0.00091   0.00000  -0.00091   2.12933
   R62        2.84047   0.00190   0.00102   0.00000   0.00102   2.84149
   R63        2.11229   0.00071   0.00142   0.00000   0.00142   2.11371
   R64        2.09793  -0.00060  -0.00167   0.00000  -0.00167   2.09626
   R65        2.65058   0.00118   0.00106   0.00000   0.00106   2.65164
   R66        2.65155   0.00009  -0.00041   0.00000  -0.00041   2.65114
   R67        2.63897   0.00008  -0.00018   0.00000  -0.00018   2.63879
   R68        2.06443   0.00036   0.00010   0.00000   0.00010   2.06453
   R69        2.64403  -0.00008   0.00017   0.00000   0.00017   2.64420
   R70        2.05727  -0.00002  -0.00004   0.00000  -0.00004   2.05723
   R71        2.64222  -0.00011  -0.00018   0.00000  -0.00018   2.64204
   R72        2.05469   0.00005   0.00016   0.00000   0.00016   2.05485
   R73        2.64119   0.00012   0.00032   0.00000   0.00032   2.64151
   R74        2.05657   0.00000   0.00000   0.00000   0.00000   2.05658
   R75        2.05341  -0.00006  -0.00016   0.00000  -0.00016   2.05325
   R76        2.63388   0.00286   0.00820   0.00000   0.00820   2.64208
   R77        1.95373  -0.00032   0.00239   0.00000   0.00239   1.95613
   R78        2.29472  -0.00075  -0.00135   0.00000  -0.00135   2.29337
   R79        2.64297  -0.00080  -0.00108   0.00000  -0.00108   2.64189
   R80        2.75637  -0.00039  -0.00035   0.00000  -0.00035   2.75601
   R81        2.79176   0.00125   0.00138   0.00000   0.00138   2.79314
   R82        2.09603   0.00038   0.00138   0.00000   0.00138   2.09741
   R83        2.09658  -0.00002  -0.00104   0.00000  -0.00104   2.09554
   R84        2.59028   0.00138   0.00051   0.00000   0.00051   2.59079
   R85        3.28582   0.00015   0.00111   0.00000   0.00111   3.28693
   R86        2.66161   0.00056   0.00082   0.00000   0.00082   2.66243
   R87        2.05248   0.00005   0.00011   0.00000   0.00011   2.05259
   R88        2.48578   0.00080  -0.00008   0.00000  -0.00008   2.48570
   R89        3.33427  -0.00015   0.00074   0.00000   0.00073   3.33501
   R90        2.04734  -0.00012   0.00001   0.00000   0.00001   2.04735
   R91        2.89348  -0.00247  -0.00201   0.00000  -0.00201   2.89148
   R92        2.89037   0.00113   0.00156   0.00000   0.00156   2.89193
   R93        2.12352  -0.00069  -0.00187   0.00000  -0.00187   2.12165
   R94        2.07658   0.00025   0.00159   0.00000   0.00159   2.07817
   R95        2.09071  -0.00178  -0.00375   0.00000  -0.00375   2.08695
   R96        2.07103   0.00027  -0.00006   0.00000  -0.00006   2.07097
   R97        2.07484  -0.00021  -0.00045   0.00000  -0.00045   2.07440
   R98        2.08031   0.00016   0.00026   0.00000   0.00026   2.08056
   R99        2.06867   0.00001  -0.00004   0.00000  -0.00004   2.06863
   R100       3.27892   0.00029   0.00182   0.00000   0.00182   3.28074
   R101       2.03931   0.00013   0.00020   0.00000   0.00020   2.03951
    A1        1.93343   0.00019   0.00083   0.00000   0.00083   1.93426
    A2        1.94511  -0.00006   0.00009   0.00000   0.00009   1.94520
    A3        1.96180  -0.00014  -0.00043   0.00000  -0.00043   1.96137
    A4        1.87395  -0.00001   0.00028   0.00000   0.00028   1.87423
    A5        1.86973   0.00002   0.00018   0.00000   0.00018   1.86991
    A6        1.87565   0.00001  -0.00096   0.00000  -0.00096   1.87469
    A7        1.95103   0.00011   0.00069   0.00000   0.00069   1.95172
    A8        1.92426  -0.00005  -0.00015   0.00000  -0.00015   1.92411
    A9        1.89119  -0.00014  -0.00154   0.00000  -0.00154   1.88964
   A10        1.92835  -0.00004   0.00039   0.00000   0.00039   1.92874
   A11        1.88830   0.00005   0.00017   0.00000   0.00017   1.88847
   A12        1.87850   0.00006   0.00040   0.00000   0.00040   1.87890
   A13        1.96281  -0.00013  -0.00001   0.00000  -0.00001   1.96280
   A14        1.94517   0.00011   0.00034   0.00000   0.00034   1.94551
   A15        1.93454   0.00000  -0.00024   0.00000  -0.00024   1.93430
   A16        1.87504   0.00001  -0.00003   0.00000  -0.00003   1.87501
   A17        1.86801   0.00006  -0.00018   0.00000  -0.00018   1.86783
   A18        1.87394  -0.00004   0.00012   0.00000   0.00012   1.87406
   A19        2.20822   0.00002   0.00076   0.00000   0.00077   2.20900
   A20        2.11789   0.00006  -0.00057   0.00000  -0.00056   2.11733
   A21        1.95704  -0.00008  -0.00021   0.00000  -0.00019   1.95686
   A22        1.95956   0.00030   0.00062   0.00000   0.00063   1.96019
   A23        2.03981  -0.00044  -0.00197   0.00000  -0.00197   2.03784
   A24        2.01222  -0.00018  -0.00016   0.00000  -0.00016   2.01206
   A25        2.23108   0.00062   0.00213   0.00000   0.00213   2.23321
   A26        1.98956   0.00058   0.00144   0.00000   0.00144   1.99099
   A27        1.91533   0.00007   0.00065   0.00000   0.00065   1.91598
   A28        1.91626  -0.00056  -0.00059   0.00000  -0.00059   1.91567
   A29        1.91799  -0.00026  -0.00061   0.00000  -0.00061   1.91738
   A30        1.87828  -0.00009  -0.00109   0.00000  -0.00109   1.87720
   A31        1.84016   0.00023   0.00006   0.00000   0.00006   1.84022
   A32        1.99494  -0.00055   0.00036   0.00000   0.00036   1.99531
   A33        2.12668   0.00018  -0.00014   0.00000  -0.00014   2.12654
   A34        2.01595   0.00034  -0.00021   0.00000  -0.00021   2.01574
   A35        1.90085   0.00004  -0.00031   0.00000  -0.00031   1.90054
   A36        1.91911   0.00030   0.00050   0.00000   0.00050   1.91961
   A37        1.96313   0.00030   0.00146   0.00000   0.00146   1.96459
   A38        1.88838  -0.00025  -0.00070   0.00000  -0.00070   1.88768
   A39        1.90275  -0.00024  -0.00069   0.00000  -0.00069   1.90206
   A40        1.88817  -0.00018  -0.00035   0.00000  -0.00035   1.88781
   A41        2.11881   0.00070   0.00036   0.00000   0.00040   2.11921
   A42        2.05401   0.00023   0.00202   0.00000   0.00206   2.05607
   A43        2.10994  -0.00094  -0.00213   0.00000  -0.00209   2.10785
   A44        2.04432  -0.00175  -0.00344   0.00000  -0.00344   2.04089
   A45        2.07750   0.00101   0.00247   0.00000   0.00247   2.07997
   A46        1.98003   0.00036  -0.00063   0.00000  -0.00063   1.97940
   A47        1.90252   0.00060  -0.00372   0.00000  -0.00372   1.89880
   A48        1.91709  -0.00185  -0.00348   0.00000  -0.00347   1.91362
   A49        1.89709  -0.00034  -0.00446   0.00000  -0.00448   1.89262
   A50        1.94284  -0.00042  -0.00194   0.00000  -0.00192   1.94091
   A51        1.92040   0.00040   0.00625   0.00000   0.00626   1.92667
   A52        1.88337   0.00161   0.00726   0.00000   0.00726   1.89064
   A53        2.13867  -0.00154  -0.00289   0.00000  -0.00287   2.13580
   A54        2.02601   0.00252   0.00441   0.00000   0.00442   2.03043
   A55        2.11778  -0.00092  -0.00118   0.00000  -0.00116   2.11662
   A56        2.11764  -0.00351  -0.00387   0.00000  -0.00387   2.11377
   A57        2.11617   0.00217   0.00301   0.00000   0.00301   2.11918
   A58        2.03730   0.00116   0.00094   0.00000   0.00094   2.03825
   A59        1.91149   0.00164  -0.00127   0.00000  -0.00127   1.91023
   A60        1.93709  -0.00271  -0.00040   0.00000  -0.00040   1.93669
   A61        1.87713  -0.00021  -0.00331   0.00000  -0.00331   1.87382
   A62        1.95867   0.00126  -0.00026   0.00000  -0.00026   1.95842
   A63        1.88049  -0.00014   0.00450   0.00000   0.00450   1.88499
   A64        1.89622   0.00015   0.00076   0.00000   0.00077   1.89699
   A65        1.99354   0.00029   0.00178   0.00000   0.00178   1.99532
   A66        1.89861  -0.00020  -0.00189   0.00000  -0.00189   1.89671
   A67        1.89623   0.00009   0.00160   0.00000   0.00160   1.89784
   A68        1.92136  -0.00020  -0.00222   0.00000  -0.00222   1.91914
   A69        1.92154  -0.00004   0.00090   0.00000   0.00091   1.92244
   A70        1.82472   0.00004  -0.00036   0.00000  -0.00036   1.82436
   A71        2.09573  -0.00031  -0.00068   0.00000  -0.00068   2.09504
   A72        2.10282   0.00018   0.00034   0.00000   0.00034   2.10316
   A73        2.08462   0.00013   0.00033   0.00000   0.00033   2.08495
   A74        2.09741  -0.00004  -0.00018   0.00000  -0.00018   2.09723
   A75        2.09724  -0.00001   0.00021   0.00000   0.00021   2.09745
   A76        2.08844   0.00005  -0.00002   0.00000  -0.00002   2.08841
   A77        2.09851   0.00000   0.00004   0.00000   0.00004   2.09854
   A78        2.09060   0.00001  -0.00008   0.00000  -0.00008   2.09053
   A79        2.09407  -0.00001   0.00004   0.00000   0.00004   2.09411
   A80        2.08979  -0.00003  -0.00004   0.00000  -0.00004   2.08975
   A81        2.09637   0.00006   0.00035   0.00000   0.00035   2.09673
   A82        2.09701  -0.00002  -0.00031   0.00000  -0.00031   2.09670
   A83        2.09914  -0.00001   0.00002   0.00000   0.00002   2.09916
   A84        2.09251   0.00005   0.00010   0.00000   0.00010   2.09261
   A85        2.09153  -0.00004  -0.00012   0.00000  -0.00012   2.09141
   A86        2.09685  -0.00005  -0.00017   0.00000  -0.00017   2.09668
   A87        2.09768   0.00004   0.00007   0.00000   0.00007   2.09775
   A88        2.08865   0.00002   0.00010   0.00000   0.00010   2.08874
   A89        1.95604  -0.00515   0.00043   0.00000   0.00043   1.95648
   A90        1.92832   0.00148  -0.00060   0.00000  -0.00060   1.92772
   A91        1.90972   0.00141  -0.00133   0.00000  -0.00133   1.90839
   A92        1.89866   0.00082  -0.00127   0.00000  -0.00127   1.89738
   A93        1.92897   0.00240   0.00041   0.00000   0.00041   1.92938
   A94        1.83859  -0.00063   0.00248   0.00000   0.00248   1.84107
   A95        1.88016  -0.00160  -0.00034   0.00000  -0.00033   1.87983
   A96        1.97364   0.00424  -0.00168   0.00000  -0.00168   1.97196
   A97        1.95305  -0.00156  -0.00091   0.00000  -0.00091   1.95215
   A98        1.80936  -0.00092  -0.00438   0.00000  -0.00437   1.80499
   A99        1.90323   0.00070   0.00015   0.00000   0.00014   1.90337
   A100       1.93681  -0.00092   0.00670   0.00000   0.00670   1.94351
   A101       1.92061  -0.00054  -0.00005   0.00000  -0.00005   1.92056
   A102       1.93730   0.00070   0.00060   0.00000   0.00064   1.93794
   A103       1.89706  -0.00620   0.00483   0.00000   0.00485   1.90192
   A104       1.90564   0.00204  -0.00125   0.00000  -0.00125   1.90439
   A105       1.96033   0.00653   0.00856   0.00000   0.00858   1.96891
   A106       1.92301  -0.00293  -0.00849   0.00000  -0.00850   1.91451
   A107       1.83731  -0.00028  -0.00471   0.00000  -0.00473   1.83257
   A108       1.94741   0.00068   0.00018   0.00000   0.00019   1.94760
   A109       1.91845   0.00119   0.00547   0.00000   0.00547   1.92392
   A110       1.92145  -0.00109  -0.00468   0.00000  -0.00468   1.91677
   A111       1.91278   0.00019   0.00373   0.00000   0.00374   1.91653
   A112       1.92895  -0.00075  -0.00243   0.00000  -0.00242   1.92653
   A113       1.83136  -0.00026  -0.00237   0.00000  -0.00238   1.82898
   A114       2.09000   0.00214   0.00095   0.00000   0.00095   2.09095
   A115       2.10310  -0.00159  -0.00102   0.00000  -0.00102   2.10209
   A116       2.09008  -0.00055   0.00006   0.00000   0.00006   2.09014
   A117       2.09514  -0.00001  -0.00041   0.00000  -0.00041   2.09472
   A118       2.08564   0.00040   0.00059   0.00000   0.00059   2.08622
   A119       2.10237  -0.00038  -0.00016   0.00000  -0.00015   2.10222
   A120       2.09769   0.00019   0.00032   0.00000   0.00032   2.09801
   A121       2.09198  -0.00015  -0.00044   0.00000  -0.00044   2.09154
   A122       2.09351  -0.00004   0.00012   0.00000   0.00012   2.09363
   A123       2.09140  -0.00005  -0.00004   0.00000  -0.00004   2.09135
   A124       2.09526   0.00007   0.00019   0.00000   0.00019   2.09545
   A125       2.09652  -0.00002  -0.00014   0.00000  -0.00014   2.09638
   A126       2.09864   0.00008  -0.00001   0.00000  -0.00001   2.09863
   A127       2.09347  -0.00007  -0.00011   0.00000  -0.00011   2.09335
   A128       2.09108   0.00000   0.00012   0.00000   0.00012   2.09120
   A129       2.09341   0.00033   0.00009   0.00000   0.00009   2.09350
   A130       2.09865  -0.00015   0.00006   0.00000   0.00006   2.09871
   A131       2.09112  -0.00018  -0.00015   0.00000  -0.00015   2.09097
   A132       2.08998   0.00493   0.00337   0.00000   0.00349   2.09347
   A133       1.96543  -0.00273  -0.01392   0.00000  -0.01378   1.95165
   A134       2.02224  -0.00275  -0.01323   0.00000  -0.01308   2.00915
   A135       2.27167   0.00290   0.00165   0.00000   0.00167   2.27335
   A136       1.87733  -0.00116  -0.00047   0.00000  -0.00045   1.87688
   A137       2.13030  -0.00145  -0.00241   0.00000  -0.00239   2.12791
   A138       2.02783  -0.00129   0.00176   0.00000   0.00176   2.02959
   A139       1.88997  -0.00317   0.00172   0.00000   0.00172   1.89169
   A140       1.77381   0.00072  -0.00155   0.00000  -0.00154   1.77227
   A141       1.90769   0.00109  -0.00118   0.00000  -0.00118   1.90651
   A142       1.96853   0.00164  -0.00034   0.00000  -0.00034   1.96818
   A143       1.98619   0.00013   0.00174   0.00000   0.00174   1.98793
   A144       1.92456  -0.00042  -0.00076   0.00000  -0.00076   1.92380
   A145       2.25158   0.00089   0.00174   0.00000   0.00176   2.25334
   A146       2.12068  -0.00092  -0.00151   0.00000  -0.00149   2.11919
   A147       1.90885   0.00004   0.00054   0.00000   0.00058   1.90943
   A148       2.01492  -0.00027  -0.00068   0.00000  -0.00066   2.01425
   A149       2.21131   0.00020   0.00133   0.00000   0.00133   2.21265
   A150       2.05689   0.00007  -0.00062   0.00000  -0.00062   2.05628
   A151       1.95124  -0.00020   0.00060   0.00000   0.00060   1.95184
   A152       1.97100   0.00034   0.00026   0.00000   0.00035   1.97134
   A153       2.18666   0.00016   0.00132   0.00000   0.00141   2.18806
   A154       2.12437  -0.00040  -0.00091   0.00000  -0.00083   2.12355
   A155       1.57788   0.00015  -0.00023   0.00000  -0.00022   1.57766
   A156       1.97993  -0.00322  -0.00660   0.00000  -0.00660   1.97334
   A157       1.91164   0.00253   0.00499   0.00000   0.00498   1.91662
   A158       1.85695   0.00002  -0.00279   0.00000  -0.00279   1.85416
   A159       1.93446   0.00034   0.00273   0.00000   0.00272   1.93718
   A160       1.88240   0.00112   0.00303   0.00000   0.00304   1.88543
   A161       1.89493  -0.00078  -0.00151   0.00000  -0.00151   1.89342
   A162       1.96019  -0.00113  -0.00081   0.00000  -0.00081   1.95938
   A163       1.96737  -0.00078  -0.00022   0.00000  -0.00022   1.96716
   A164       1.94279  -0.00021   0.00019   0.00000   0.00019   1.94298
   A165       1.85804   0.00055  -0.00299   0.00000  -0.00299   1.85505
   A166       1.84558   0.00158   0.00871   0.00000   0.00871   1.85429
   A167       1.88303   0.00021  -0.00465   0.00000  -0.00465   1.87838
   A168       1.93400  -0.00009  -0.00189   0.00000  -0.00189   1.93210
   A169       1.96200   0.00022   0.00260   0.00000   0.00260   1.96460
   A170       1.95886   0.00037   0.00171   0.00000   0.00171   1.96057
   A171       1.85217  -0.00019  -0.00073   0.00000  -0.00073   1.85143
   A172       1.86617  -0.00029  -0.00228   0.00000  -0.00228   1.86388
   A173       1.88487  -0.00007   0.00026   0.00000   0.00027   1.88514
   A174       1.91560  -0.00018  -0.00018   0.00000  -0.00015   1.91545
   A175       2.24214   0.00014   0.00192   0.00000   0.00194   2.24409
   A176       2.12529   0.00004  -0.00167   0.00000  -0.00164   2.12365
   A177       1.58023   0.00015  -0.00002   0.00000  -0.00001   1.58022
    D1        1.08693   0.00002   0.00808   0.00000   0.00808   1.09501
    D2       -3.04405   0.00000   0.00896   0.00000   0.00896  -3.03509
    D3       -0.99236  -0.00003   0.00844   0.00000   0.00844  -0.98392
    D4       -3.11096   0.00009   0.00904   0.00000   0.00904  -3.10192
    D5       -0.95876   0.00008   0.00992   0.00000   0.00992  -0.94884
    D6        1.09293   0.00004   0.00941   0.00000   0.00941   1.10234
    D7       -1.00412  -0.00004   0.00757   0.00000   0.00757  -0.99655
    D8        1.14809  -0.00005   0.00845   0.00000   0.00845   1.15653
    D9       -3.08341  -0.00009   0.00793   0.00000   0.00793  -3.07548
   D10        0.99702   0.00001   0.00662   0.00000   0.00662   1.00363
   D11        3.10384   0.00001   0.00680   0.00000   0.00680   3.11064
   D12       -1.09329   0.00003   0.00702   0.00000   0.00702  -1.08627
   D13       -1.15287   0.00003   0.00603   0.00000   0.00604  -1.14683
   D14        0.95395   0.00003   0.00622   0.00000   0.00622   0.96017
   D15        3.04001   0.00005   0.00644   0.00000   0.00644   3.04645
   D16        3.07802  -0.00006   0.00523   0.00000   0.00523   3.08325
   D17       -1.09835  -0.00006   0.00542   0.00000   0.00542  -1.09293
   D18        0.98771  -0.00004   0.00564   0.00000   0.00564   0.99335
   D19        2.03103  -0.00020  -0.00228   0.00000  -0.00228   2.02874
   D20       -1.11941   0.00007   0.00984   0.00000   0.00984  -1.10957
   D21       -2.08680  -0.00012  -0.00124   0.00000  -0.00124  -2.08804
   D22        1.04595   0.00015   0.01088   0.00000   0.01088   1.05683
   D23       -0.02848  -0.00004  -0.00058   0.00000  -0.00058  -0.02906
   D24        3.10427   0.00023   0.01154   0.00000   0.01154   3.11581
   D25       -3.14157   0.00012   0.00445   0.00000   0.00445  -3.13713
   D26        0.00817  -0.00012  -0.00673   0.00000  -0.00673   0.00144
   D27        3.13665   0.00007  -0.00060   0.00000  -0.00060   3.13604
   D28       -0.01262   0.00030   0.00991   0.00000   0.00991  -0.00271
   D29        3.13168  -0.00013  -0.00151   0.00000  -0.00151   3.13017
   D30        0.00237  -0.00019  -0.00128   0.00000  -0.00128   0.00109
   D31        2.13212  -0.00012   0.02812   0.00000   0.02812   2.16024
   D32       -1.99141   0.00001   0.02887   0.00000   0.02887  -1.96254
   D33        0.02348   0.00001   0.02898   0.00000   0.02897   0.05246
   D34       -1.02354  -0.00006   0.02783   0.00000   0.02783  -0.99571
   D35        1.13612   0.00007   0.02858   0.00000   0.02858   1.16470
   D36       -3.13217   0.00007   0.02868   0.00000   0.02868  -3.10349
   D37       -0.01184   0.00041   0.00874   0.00000   0.00874  -0.00310
   D38       -3.13472  -0.00019  -0.00684   0.00000  -0.00683  -3.14156
   D39       -3.13956   0.00036   0.00904   0.00000   0.00904  -3.13053
   D40        0.02074  -0.00025  -0.00654   0.00000  -0.00653   0.01421
   D41       -1.25219   0.00065   0.01141   0.00000   0.01141  -1.24077
   D42        1.30990   0.00067   0.01137   0.00000   0.01137   1.32127
   D43        2.87277   0.00034   0.00998   0.00000   0.00998   2.88275
   D44       -0.84832   0.00036   0.00994   0.00000   0.00994  -0.83839
   D45        0.87750   0.00024   0.01081   0.00000   0.01081   0.88831
   D46       -2.84360   0.00027   0.01077   0.00000   0.01077  -2.83283
   D47       -1.14324  -0.00003   0.00707   0.00000   0.00707  -1.13617
   D48        3.07353   0.00008   0.00781   0.00000   0.00781   3.08134
   D49        0.96806  -0.00010   0.00693   0.00000   0.00693   0.97499
   D50        2.53981  -0.00002   0.00710   0.00000   0.00710   2.54690
   D51        0.47339   0.00008   0.00784   0.00000   0.00784   0.48123
   D52       -1.63208  -0.00010   0.00696   0.00000   0.00696  -1.62512
   D53       -2.88424   0.00074   0.01582   0.00000   0.01581  -2.86842
   D54        0.28834   0.00081  -0.00381   0.00000  -0.00380   0.28454
   D55       -0.32858   0.00049   0.01595   0.00000   0.01595  -0.31263
   D56        2.84400   0.00056  -0.00367   0.00000  -0.00367   2.84033
   D57        2.80636   0.00018   0.00728   0.00000   0.00728   2.81364
   D58        0.31529   0.00067   0.01008   0.00000   0.01009   0.32538
   D59       -0.30441   0.00022  -0.01224   0.00000  -0.01225  -0.31666
   D60       -2.79548   0.00071  -0.00943   0.00000  -0.00944  -2.80492
   D61       -1.70207  -0.00028  -0.00767   0.00000  -0.00767  -1.70974
   D62        2.44814   0.00104  -0.00075   0.00000  -0.00075   2.44739
   D63        0.39119   0.00035  -0.00491   0.00000  -0.00491   0.38628
   D64        0.82426  -0.00045  -0.00910   0.00000  -0.00910   0.81516
   D65       -1.30871   0.00087  -0.00219   0.00000  -0.00219  -1.31089
   D66        2.91752   0.00018  -0.00635   0.00000  -0.00635   2.91118
   D67       -0.57404  -0.00007  -0.03899   0.00000  -0.03899  -0.61303
   D68        2.52702   0.00157  -0.02603   0.00000  -0.02602   2.50100
   D69        1.54331  -0.00226  -0.04698   0.00000  -0.04699   1.49633
   D70       -1.63881  -0.00062  -0.03402   0.00000  -0.03402  -1.67283
   D71       -2.65284  -0.00025  -0.03498   0.00000  -0.03499  -2.68782
   D72        0.44823   0.00138  -0.02202   0.00000  -0.02202   0.42621
   D73        1.09564  -0.00017  -0.00802   0.00000  -0.00803   1.08760
   D74       -3.01613  -0.00012  -0.00545   0.00000  -0.00546  -3.02159
   D75       -0.97116   0.00027  -0.00623   0.00000  -0.00623  -0.97738
   D76       -1.01319   0.00060   0.00018   0.00000   0.00017  -1.01302
   D77        1.15823   0.00065   0.00275   0.00000   0.00275   1.16097
   D78       -3.07999   0.00104   0.00197   0.00000   0.00198  -3.07801
   D79       -3.12209  -0.00068  -0.01114   0.00000  -0.01114  -3.13323
   D80       -0.95068  -0.00063  -0.00857   0.00000  -0.00856  -0.95924
   D81        1.09430  -0.00024  -0.00934   0.00000  -0.00933   1.08497
   D82        3.12944  -0.00206   0.00767   0.00000   0.00767   3.13711
   D83        0.15966  -0.00091   0.00696   0.00000   0.00696   0.16662
   D84       -0.05215  -0.00047   0.02044   0.00000   0.02044  -0.03171
   D85       -3.02194   0.00069   0.01973   0.00000   0.01973  -3.00221
   D86        2.55202   0.00071   0.00206   0.00000   0.00206   2.55407
   D87       -1.55897   0.00161   0.00056   0.00000   0.00056  -1.55841
   D88        0.51303   0.00012  -0.00076   0.00000  -0.00076   0.51227
   D89       -0.75396  -0.00027   0.00296   0.00000   0.00296  -0.75100
   D90        1.41824   0.00062   0.00146   0.00000   0.00146   1.41969
   D91       -2.79295  -0.00087   0.00014   0.00000   0.00014  -2.79281
   D92        1.06724  -0.00081  -0.00095   0.00000  -0.00095   1.06629
   D93       -1.08683  -0.00059   0.00214   0.00000   0.00214  -1.08469
   D94       -3.06347  -0.00059   0.00271   0.00000   0.00271  -3.06076
   D95       -1.09234   0.00061   0.00067   0.00000   0.00067  -1.09167
   D96        3.03678   0.00082   0.00376   0.00000   0.00375   3.04054
   D97        1.06015   0.00082   0.00433   0.00000   0.00433   1.06447
   D98        3.10411  -0.00025  -0.00307   0.00000  -0.00307   3.10104
   D99        0.95004  -0.00004   0.00002   0.00000   0.00002   0.95006
   D100      -1.02660  -0.00003   0.00059   0.00000   0.00059  -1.02600
   D101       1.24496  -0.00213  -0.00026   0.00000  -0.00026   1.24470
   D102      -0.87554  -0.00068   0.00149   0.00000   0.00149  -0.87405
   D103      -2.89216  -0.00159  -0.00039   0.00000  -0.00039  -2.89254
   D104      -2.89302  -0.00108  -0.00238   0.00000  -0.00238  -2.89540
   D105       1.26967   0.00037  -0.00063   0.00000  -0.00063   1.26903
   D106      -0.74695  -0.00054  -0.00251   0.00000  -0.00251  -0.74946
   D107      -0.81549  -0.00038   0.00355   0.00000   0.00355  -0.81194
   D108      -2.93599   0.00107   0.00530   0.00000   0.00530  -2.93069
   D109       1.33058   0.00017   0.00342   0.00000   0.00342   1.33400
   D110      -1.63933   0.00015   0.00122   0.00000   0.00122  -1.63811
   D111       1.50953   0.00017   0.00232   0.00000   0.00232   1.51185
   D112       0.50241  -0.00005  -0.00169   0.00000  -0.00169   0.50072
   D113      -2.63192  -0.00003  -0.00059   0.00000  -0.00059  -2.63251
   D114       2.50511  -0.00014  -0.00288   0.00000  -0.00288   2.50223
   D115      -0.62922  -0.00012  -0.00177   0.00000  -0.00177  -0.63099
   D116       3.13919   0.00001   0.00049   0.00000   0.00049   3.13968
   D117      -0.01769   0.00002   0.00100   0.00000   0.00100  -0.01669
   D118      -0.00959  -0.00001  -0.00061   0.00000  -0.00061  -0.01019
   D119       3.11671   0.00000  -0.00009   0.00000  -0.00009   3.11662
   D120      -3.13861  -0.00002  -0.00087   0.00000  -0.00087  -3.13948
   D121       0.00719   0.00003   0.00027   0.00000   0.00027   0.00746
   D122       0.01020   0.00000   0.00023   0.00000   0.00023   0.01043
   D123      -3.12719   0.00005   0.00137   0.00000   0.00137  -3.12581
   D124       0.00170   0.00001   0.00061   0.00000   0.00061   0.00231
   D125       3.13921   0.00001   0.00072   0.00000   0.00072   3.13992
   D126      -3.12467   0.00001   0.00009   0.00000   0.00009  -3.12458
   D127       0.01283   0.00000   0.00020   0.00000   0.00020   0.01303
   D128       0.00562  -0.00001  -0.00023   0.00000  -0.00023   0.00540
   D129      -3.14103  -0.00001  -0.00004   0.00000  -0.00004  -3.14107
   D130      -3.13187   0.00000  -0.00034   0.00000  -0.00034  -3.13221
   D131       0.00466   0.00000  -0.00015   0.00000  -0.00015   0.00451
   D132      -0.00501  -0.00001  -0.00015   0.00000  -0.00015  -0.00516
   D133       3.13452  -0.00002  -0.00026   0.00000  -0.00026   3.13426
   D134      -3.14154   0.00000  -0.00034   0.00000  -0.00034   3.14131
   D135      -0.00201  -0.00001  -0.00045   0.00000  -0.00045  -0.00246
   D136      -0.00294   0.00001   0.00015   0.00000   0.00015  -0.00279
   D137       3.13447  -0.00004  -0.00099   0.00000  -0.00099   3.13348
   D138       3.14072   0.00002   0.00026   0.00000   0.00026   3.14098
   D139      -0.00506  -0.00003  -0.00088   0.00000  -0.00088  -0.00594
   D140      -1.68445   0.00071  -0.00333   0.00000  -0.00333  -1.68778
   D141       2.60999   0.00051   0.00307   0.00000   0.00307   2.61306
   D142       0.40736  -0.00040  -0.00391   0.00000  -0.00391   0.40345
   D143       0.45300  -0.00026  -0.00469   0.00000  -0.00469   0.44831
   D144      -1.53574  -0.00046   0.00171   0.00000   0.00171  -1.53403
   D145       2.54481  -0.00136  -0.00527   0.00000  -0.00527   2.53954
   D146       2.46359   0.00079  -0.00221   0.00000  -0.00221   2.46137
   D147       0.47485   0.00059   0.00418   0.00000   0.00419   0.47903
   D148      -1.72779  -0.00032  -0.00279   0.00000  -0.00279  -1.73058
   D149       1.89884  -0.00235  -0.05302   0.00000  -0.05302   1.84582
   D150      -2.28844   0.00131  -0.05732   0.00000  -0.05732  -2.34576
   D151      -0.22425   0.00009  -0.05181   0.00000  -0.05181  -0.27605
   D152      -1.18555   0.00166  -0.01190   0.00000  -0.01190  -1.19745
   D153       2.93329  -0.00277  -0.02660   0.00000  -0.02660   2.90670
   D154       0.93773  -0.00020  -0.02293   0.00000  -0.02293   0.91480
   D155       3.06653   0.00206  -0.00811   0.00000  -0.00811   3.05841
   D156       0.90218  -0.00237  -0.02281   0.00000  -0.02281   0.87937
   D157      -1.09339   0.00020  -0.01914   0.00000  -0.01914  -1.11252
   D158       1.02572   0.00218  -0.00897   0.00000  -0.00897   1.01675
   D159      -1.13863  -0.00225  -0.02367   0.00000  -0.02367  -1.16229
   D160      -3.13419   0.00032  -0.02000   0.00000  -0.02000   3.12900
   D161       2.94586   0.00018  -0.01888   0.00000  -0.01888   2.92698
   D162      -1.21158   0.00171  -0.01018   0.00000  -0.01018  -1.22177
   D163       0.79742   0.00145  -0.01262   0.00000  -0.01261   0.78481
   D164      -1.20948  -0.00270  -0.00595   0.00000  -0.00595  -1.21543
   D165       0.91627  -0.00118   0.00275   0.00000   0.00274   0.91901
   D166       2.92527  -0.00143   0.00032   0.00000   0.00031   2.92558
   D167       0.83278  -0.00088  -0.01209   0.00000  -0.01208   0.82070
   D168       2.95853   0.00064  -0.00339   0.00000  -0.00339   2.95514
   D169      -1.31566   0.00038  -0.00583   0.00000  -0.00582  -1.32147
   D170       1.32123  -0.00193  -0.01610   0.00000  -0.01613   1.30510
   D171      -1.14795   0.00012   0.02149   0.00000   0.02149  -1.12646
   D172      -0.82935  -0.00280  -0.02633   0.00000  -0.02634  -0.85569
   D173       2.98465  -0.00075   0.01125   0.00000   0.01128   2.99594
   D174      -2.92216  -0.00267  -0.01771   0.00000  -0.01773  -2.93989
   D175       0.89184  -0.00062   0.01987   0.00000   0.01989   0.91173
   D176       1.66867   0.00151  -0.00575   0.00000  -0.00575   1.66293
   D177      -1.47178   0.00132  -0.00878   0.00000  -0.00878  -1.48056
   D178      -0.46034  -0.00058  -0.01542   0.00000  -0.01541  -0.47575
   D179       2.68239  -0.00077  -0.01845   0.00000  -0.01845   2.66394
   D180      -2.47035   0.00005  -0.01332   0.00000  -0.01332  -2.48367
   D181       0.67238  -0.00014  -0.01636   0.00000  -0.01636   0.65602
   D182       3.13721  -0.00008  -0.00028   0.00000  -0.00028   3.13693
   D183      -0.01385   0.00010   0.00216   0.00000   0.00216  -0.01168
   D184      -0.00551   0.00011   0.00273   0.00000   0.00273  -0.00278
   D185       3.12662   0.00029   0.00518   0.00000   0.00518   3.13180
   D186      -3.13696   0.00006   0.00046   0.00000   0.00046  -3.13650
   D187       0.00412   0.00011   0.00114   0.00000   0.00115   0.00526
   D188       0.00577  -0.00013  -0.00257   0.00000  -0.00257   0.00320
   D189      -3.13634  -0.00009  -0.00189   0.00000  -0.00189  -3.13823
   D190       0.00135  -0.00002  -0.00115   0.00000  -0.00115   0.00021
   D191       3.14086   0.00004  -0.00036   0.00000  -0.00036   3.14049
   D192      -3.13069  -0.00020  -0.00362   0.00000  -0.00362  -3.13430
   D193       0.00882  -0.00014  -0.00284   0.00000  -0.00284   0.00598
   D194       0.00256  -0.00006  -0.00061   0.00000  -0.00061   0.00195
   D195      -3.14128   0.00002   0.00030   0.00000   0.00030  -3.14098
   D196      -3.13694  -0.00011  -0.00139   0.00000  -0.00139  -3.13833
   D197       0.00241  -0.00004  -0.00048   0.00000  -0.00048   0.00192
   D198      -0.00229   0.00003   0.00077   0.00000   0.00077  -0.00153
   D199       3.13904   0.00005   0.00085   0.00000   0.00085   3.13989
   D200       3.14154  -0.00004  -0.00014   0.00000  -0.00014   3.14140
   D201      -0.00031  -0.00003  -0.00005   0.00000  -0.00005  -0.00036
   D202      -0.00188   0.00006   0.00083   0.00000   0.00083  -0.00105
   D203       3.14023   0.00001   0.00015   0.00000   0.00015   3.14038
   D204       3.13997   0.00004   0.00074   0.00000   0.00074   3.14071
   D205      -0.00111   0.00000   0.00006   0.00000   0.00006  -0.00105
   D206       0.59758   0.00058   0.02523   0.00000   0.02524   0.62283
   D207      -2.63907   0.00390   0.01167   0.00000   0.01170  -2.62737
   D208       3.04596  -0.00140  -0.01349   0.00000  -0.01351   3.03244
   D209      -0.19069   0.00193  -0.02704   0.00000  -0.02706  -0.21775
   D210       3.06925  -0.00340   0.02853   0.00000   0.02854   3.09779
   D211      -0.15804  -0.00011   0.01663   0.00000   0.01662  -0.14142
   D212      -1.49747   0.00200  -0.00457   0.00000  -0.00457  -1.50204
   D213       2.70912   0.00112  -0.00414   0.00000  -0.00414   2.70498
   D214       0.67507   0.00080  -0.00204   0.00000  -0.00204   0.67302
   D215      -1.18399  -0.00026  -0.02661   0.00000  -0.02661  -1.21060
   D216       1.88062  -0.00022  -0.00877   0.00000  -0.00877   1.87185
   D217       0.76492  -0.00039  -0.02765   0.00000  -0.02765   0.73727
   D218      -2.45366  -0.00034  -0.00980   0.00000  -0.00980  -2.46346
   D219       2.97421   0.00056  -0.02751   0.00000  -0.02751   2.94670
   D220      -0.24437   0.00060  -0.00966   0.00000  -0.00966  -0.25403
   D221       3.08975  -0.00048   0.01034   0.00000   0.01033   3.10007
   D222      -0.03938  -0.00055   0.00241   0.00000   0.00241  -0.03698
   D223       0.01771  -0.00048  -0.00573   0.00000  -0.00573   0.01198
   D224      -3.11142  -0.00055  -0.01366   0.00000  -0.01365  -3.12507
   D225      -3.10838   0.00087  -0.00195   0.00000  -0.00196  -3.11033
   D226      -0.03018   0.00095   0.01279   0.00000   0.01279  -0.01739
   D227       0.01114  -0.00050  -0.00797   0.00000  -0.00797   0.00317
   D228       3.14143  -0.00044  -0.00079   0.00000  -0.00079   3.14064
   D229      -0.03477   0.00124   0.01787   0.00000   0.01787  -0.01689
   D230      -3.12516  -0.00089  -0.01035   0.00000  -0.01033  -3.13549
   D231       0.03835  -0.00129  -0.01812   0.00000  -0.01812   0.02023
   D232       3.13081   0.00077   0.00896   0.00000   0.00898   3.13979
   D233      -1.13300   0.00146   0.00406   0.00000   0.00406  -1.12894
   D234       0.96583   0.00080  -0.00056   0.00000  -0.00056   0.96527
   D235       3.08450   0.00036  -0.00660   0.00000  -0.00660   3.07790
   D236       2.99117   0.00026   0.00032   0.00000   0.00031   2.99149
   D237      -1.19318  -0.00040  -0.00431   0.00000  -0.00431  -1.19749
   D238       0.92549  -0.00085  -0.01035   0.00000  -0.01035   0.91514
   D239       0.91904   0.00033  -0.00129   0.00000  -0.00129   0.91775
   D240       3.01788  -0.00034  -0.00592   0.00000  -0.00591   3.01196
   D241      -1.14664  -0.00078  -0.01195   0.00000  -0.01195  -1.15859
   D242       2.99704   0.00097  -0.01786   0.00000  -0.01785   2.97919
   D243      -1.21687   0.00081  -0.01836   0.00000  -0.01835  -1.23523
   D244       0.91210   0.00115  -0.01480   0.00000  -0.01480   0.89730
   D245      -1.08846  -0.00109  -0.02076   0.00000  -0.02077  -1.10923
   D246       0.98081  -0.00125  -0.02127   0.00000  -0.02127   0.95954
   D247       3.10978  -0.00091  -0.01771   0.00000  -0.01771   3.09207
   D248       0.97608  -0.00001  -0.01639   0.00000  -0.01639   0.95969
   D249       3.04535  -0.00016  -0.01689   0.00000  -0.01689   3.02846
   D250      -1.10886   0.00018  -0.01333   0.00000  -0.01333  -1.12220
   D251       0.01334  -0.00039  -0.01016   0.00000  -0.01016   0.00318
   D252       3.13769   0.00017   0.00417   0.00000   0.00419  -3.14130
         Item               Value     Threshold  Converged?
 Maximum Force            0.006533     0.000450     NO 
 RMS     Force            0.001115     0.000300     NO 
 Maximum Displacement     0.429156     0.001800     NO 
 RMS     Displacement     0.076418     0.001200     NO 
 Predicted change in Energy=-2.494807D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.021659   -2.661792    0.701911
      2          6           0       -8.970222   -1.374430   -0.126897
      3          6           0      -10.028326   -0.363722    0.324963
      4          6           0       -7.603143   -0.768539   -0.058298
      5          7           0       -6.770213   -0.603758   -1.058361
      6          6           0       -5.550630   -0.001736   -0.650517
      7          6           0       -4.514470    0.220244   -1.718398
      8          7           0       -4.068094    1.628346   -1.844598
      9          6           0       -5.085095    2.543443   -2.428291
     10          6           0       -3.180639    2.219225   -0.908038
     11          8           0       -3.035131    3.435281   -0.844358
     12          7           0       -2.448925    1.352306   -0.048494
     13          6           0       -1.242903    1.916118    0.606282
     14          6           0        0.002245    1.499531   -0.202698
     15          8           0        0.088218    0.410558   -0.762403
     16          7           0        1.017562    2.438783   -0.296016
     17          6           0        2.269577    2.146181   -1.046667
     18          6           0        2.789572    3.443796   -1.705789
     19          6           0        3.131086    4.538688   -0.733198
     20          6           0        2.176583    5.517295   -0.413076
     21          6           0        2.490359    6.534536    0.492062
     22          6           0        3.756901    6.585943    1.082256
     23          6           0        4.712855    5.617944    0.758368
     24          6           0        4.404664    4.598592   -0.146342
     25          6           0        3.324743    1.495297   -0.128011
     26          6           0        2.953509    0.056051    0.247321
     27          8           0        2.309058    0.091314    1.540307
     28          6           0        4.199053   -0.851037    0.488372
     29          6           0        4.958351   -1.105375   -0.823244
     30          6           0        6.307580   -1.719448   -0.571330
     31          6           0        6.462463   -3.112643   -0.634207
     32          6           0        7.714586   -3.687319   -0.406542
     33          6           0        8.818156   -2.877970   -0.115023
     34          6           0        8.664521   -1.489872   -0.049550
     35          6           0        7.413639   -0.908533   -0.275961
     36          7           0        3.758959   -2.112965    1.157107
     37          6           0        3.092186   -3.097034    0.421048
     38          8           0        3.240777   -3.450641   -0.730346
     39          8           0        2.240991   -3.775175    1.298587
     40          6           0        1.403853   -4.815292    0.711777
     41          6           0        0.171101   -4.184931    0.194433
     42          6           0       -0.869206   -3.622464    0.887975
     43          7           0       -1.885815   -3.052866    0.096106
     44          6           0       -1.633423   -3.178587   -1.188690
     45         16           0       -0.100159   -3.990219   -1.512584
     46          6           0       -1.157314    1.404666    2.076302
     47          6           0       -1.010083   -0.115163    2.174580
     48          6           0       -0.015198    2.114483    2.806838
     49          6           0       -5.461415    0.291398    0.679746
     50         16           0       -6.926746   -0.178507    1.483498
     51          1           0       -9.983994   -3.170640    0.572200
     52          1           0       -8.235490   -3.365212    0.399866
     53          1           0       -8.898176   -2.472668    1.775061
     54          1           0       -9.173332   -1.639215   -1.204322
     55          1           0       -9.931067   -0.101118    1.385238
     56          1           0       -9.965880    0.567853   -0.251438
     57          1           0      -11.038189   -0.767908    0.185736
     58          1           0       -3.633731   -0.442016   -1.534077
     59          1           0       -4.922555   -0.095916   -2.714385
     60          1           0       -5.277382    2.244395   -3.471558
     61          1           0       -4.701491    3.582698   -2.432202
     62          1           0       -6.035627    2.530161   -1.870590
     63          1           0       -2.350036    0.360839   -0.302651
     64          1           0       -1.340607    3.041923    0.626840
     65          1           0        1.005095    3.291334    0.261210
     66          1           0        2.007044    1.417789   -1.869187
     67          1           0        2.027368    3.804803   -2.431908
     68          1           0        3.674078    3.197113   -2.329996
     69          1           0        1.192065    5.495417   -0.879558
     70          1           0        1.745394    7.291653    0.734787
     71          1           0        3.999261    7.378524    1.787223
     72          1           0        5.702587    5.659401    1.211334
     73          1           0        5.157980    3.855164   -0.397053
     74          1           0        3.445567    2.087375    0.805141
     75          1           0        4.313301    1.524296   -0.626725
     76          1           0        2.256292   -0.399985   -0.494889
     77          1           0        1.326407   -0.051499    1.436789
     78          1           0        4.882043   -0.350085    1.231496
     79          1           0        4.358993   -1.769534   -1.494636
     80          1           0        5.065195   -0.155601   -1.386308
     81          1           0        5.596750   -3.741264   -0.855423
     82          1           0        7.831162   -4.768609   -0.455051
     83          1           0        9.792227   -3.327967    0.061292
     84          1           0        9.521251   -0.858728    0.178604
     85          1           0        7.302088    0.170919   -0.222174
     86          1           0        3.374022   -1.934080    2.101211
     87          1           0        1.216278   -5.470134    1.588064
     88          1           0        1.985933   -5.361910   -0.057689
     89          1           0       -0.979326   -3.572065    1.967389
     90          1           0       -2.265140   -2.815208   -1.990358
     91          1           0       -2.126009    1.692271    2.565623
     92          1           0       -1.893691   -0.645102    1.790142
     93          1           0       -0.146320   -0.497715    1.602568
     94          1           0       -0.888011   -0.437287    3.214939
     95          1           0       -0.043779    1.891300    3.881254
     96          1           0        0.976739    1.791716    2.454624
     97          1           0       -0.071554    3.203260    2.708384
     98          1           0       -4.642018    0.745995    1.215229
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0709799      0.0296581      0.0226847
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3597.4570236877 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.249095818868     A.U. after   18 cycles
             Convg  =    0.6175D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000206346   -0.000114498   -0.000086076
      2        6          -0.000255665   -0.000085638   -0.000071229
      3        6           0.000116438   -0.000087673    0.000008094
      4        6          -0.000027298    0.000201683    0.000116701
      5        7           0.000338912   -0.000161133   -0.000035232
      6        6          -0.000214231    0.000302588   -0.000115757
      7        6           0.000289125    0.000220213    0.000459204
      8        7          -0.001216508    0.000247906   -0.000099493
      9        6           0.000420305   -0.000014883   -0.000120394
     10        6           0.001342447   -0.001152150    0.000562133
     11        8          -0.001084680    0.000421330    0.000152644
     12        7          -0.001232000   -0.001840132    0.000393847
     13        6           0.000236184    0.000997920    0.000807960
     14        6           0.000937123    0.001050368   -0.001326839
     15        8           0.000177027   -0.000316437    0.000456541
     16        7          -0.000098580   -0.000227623    0.000265401
     17        6          -0.000493524    0.000247934    0.000202508
     18        6          -0.000058851   -0.000081957    0.000182915
     19        6          -0.000025659   -0.000093839    0.000036793
     20        6           0.000056621    0.000075693   -0.000037867
     21        6           0.000002808    0.000043522    0.000001031
     22        6           0.000000656   -0.000021138    0.000013519
     23        6           0.000057216   -0.000043016   -0.000008775
     24        6          -0.000003922    0.000065340    0.000055118
     25        6           0.000476508    0.000042583   -0.000144631
     26        6           0.000084490   -0.000456490    0.000363315
     27        8           0.000665224    0.000661932    0.000461578
     28        6          -0.000580382   -0.000165850   -0.000124097
     29        6           0.000026641    0.000252531   -0.000112832
     30        6          -0.000352487   -0.000256880    0.000047809
     31        6          -0.000487638   -0.000117419    0.000011954
     32        6          -0.000039199   -0.000077077   -0.000020877
     33        6          -0.000011167    0.000010617    0.000035109
     34        6          -0.000058525   -0.000027040   -0.000000344
     35        6           0.000140594   -0.000013858   -0.000102218
     36        7           0.001205791    0.000375948   -0.000949934
     37        6          -0.000610916    0.000318255    0.001228042
     38        8           0.000719550   -0.000182153    0.000040909
     39        8          -0.000078459   -0.000425190   -0.000233554
     40        6           0.000369112    0.000008938    0.000225671
     41        6          -0.000292485   -0.000071149   -0.000799265
     42        6           0.000499754   -0.000113118    0.000139945
     43        7           0.000450466   -0.000154851    0.000177826
     44        6          -0.000591518   -0.000932248   -0.000914676
     45       16           0.000129832    0.000371638    0.000233808
     46        6           0.000092741    0.001145463    0.000155419
     47        6          -0.000624743    0.000574452   -0.000431938
     48        6          -0.000279066   -0.000022266    0.000174229
     49        6           0.000319034   -0.000174479    0.000042721
     50       16          -0.000029692    0.000093937   -0.000154517
     51        1           0.000019247    0.000061612    0.000058991
     52        1          -0.000103890    0.000014380   -0.000004285
     53        1          -0.000058331    0.000040572   -0.000109682
     54        1          -0.000044885   -0.000011058    0.000116418
     55        1          -0.000123153    0.000044924   -0.000022356
     56        1          -0.000004116    0.000009849    0.000027130
     57        1          -0.000015373    0.000013737   -0.000040880
     58        1           0.000159070   -0.000348334    0.000182615
     59        1           0.000064304   -0.000045744   -0.000007103
     60        1           0.000037355   -0.000034773   -0.000013718
     61        1           0.000046792   -0.000014936   -0.000083778
     62        1           0.000006760    0.000073407   -0.000009801
     63        1          -0.000385494    0.000181790    0.000272031
     64        1           0.000454723    0.000487653   -0.000117803
     65        1          -0.000058806    0.000004582   -0.000228435
     66        1           0.000084142   -0.000076167   -0.000005927
     67        1           0.000063907    0.000008596    0.000011397
     68        1           0.000028609    0.000008114   -0.000038349
     69        1          -0.000007017   -0.000000329   -0.000005329
     70        1           0.000006241   -0.000016489   -0.000008614
     71        1          -0.000009807   -0.000012254   -0.000006753
     72        1          -0.000037127   -0.000000042    0.000007703
     73        1          -0.000020593    0.000009531   -0.000021934
     74        1           0.000070638   -0.000020132   -0.000023255
     75        1           0.000132886   -0.000125714   -0.000041490
     76        1           0.000158330    0.000276636    0.000066368
     77        1          -0.000245203    0.000038951   -0.000130664
     78        1           0.000139570    0.000387776    0.000080869
     79        1          -0.000006986   -0.000106064   -0.000333368
     80        1          -0.000051745   -0.000271441    0.000071808
     81        1          -0.000009044    0.000299264    0.000049251
     82        1           0.000004871    0.000023321    0.000000669
     83        1          -0.000010062   -0.000011245   -0.000012190
     84        1          -0.000004752    0.000003805    0.000009010
     85        1          -0.000037069   -0.000018912    0.000012516
     86        1          -0.000443027   -0.000141025    0.000172859
     87        1          -0.000121663   -0.000134248    0.000091619
     88        1          -0.000090053    0.000266188    0.000123151
     89        1           0.000009463    0.000123850    0.000040317
     90        1          -0.000137378    0.000313111    0.000330939
     91        1          -0.000065775    0.000067227   -0.000117909
     92        1          -0.000012354   -0.000068309   -0.001110651
     93        1           0.000474956   -0.000879241   -0.000258975
     94        1          -0.000319310   -0.000616305   -0.000045631
     95        1           0.000013330   -0.000067004   -0.000022425
     96        1           0.000028753   -0.000022342   -0.000121019
     97        1          -0.000008530   -0.000045900    0.000118654
     98        1          -0.000186155    0.000028527   -0.000064188
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001840132 RMS     0.000360769

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003890424 RMS     0.000663118
 Search for a local minimum.
 Step number  41 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   36   38   40   39   41
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00101   0.00142   0.00188   0.00230   0.00313
     Eigenvalues ---    0.00340   0.00422   0.00480   0.00578   0.00636
     Eigenvalues ---    0.00721   0.00749   0.00850   0.00890   0.00931
     Eigenvalues ---    0.00963   0.01076   0.01134   0.01197   0.01228
     Eigenvalues ---    0.01271   0.01336   0.01385   0.01406   0.01431
     Eigenvalues ---    0.01450   0.01458   0.01540   0.01612   0.01631
     Eigenvalues ---    0.01656   0.01751   0.01927   0.02001   0.02054
     Eigenvalues ---    0.02109   0.02194   0.02202   0.02217   0.02221
     Eigenvalues ---    0.02257   0.02267   0.02278   0.02292   0.02327
     Eigenvalues ---    0.02371   0.02404   0.02408   0.02414   0.02444
     Eigenvalues ---    0.02465   0.02484   0.02485   0.02527   0.02528
     Eigenvalues ---    0.02654   0.02697   0.02786   0.03007   0.03384
     Eigenvalues ---    0.03550   0.03964   0.04032   0.04142   0.04215
     Eigenvalues ---    0.04289   0.04387   0.04649   0.04839   0.04917
     Eigenvalues ---    0.04952   0.04978   0.05073   0.05116   0.05210
     Eigenvalues ---    0.05244   0.05337   0.05398   0.05441   0.05490
     Eigenvalues ---    0.05546   0.05625   0.05702   0.05723   0.05758
     Eigenvalues ---    0.05817   0.05847   0.05920   0.05979   0.06114
     Eigenvalues ---    0.06279   0.06500   0.06558   0.06725   0.06929
     Eigenvalues ---    0.07134   0.07404   0.07523   0.08230   0.08623
     Eigenvalues ---    0.08785   0.09346   0.09710   0.09855   0.10316
     Eigenvalues ---    0.11938   0.12891   0.12995   0.13123   0.13444
     Eigenvalues ---    0.13810   0.13960   0.14088   0.14313   0.15435
     Eigenvalues ---    0.15642   0.15786   0.15945   0.15954   0.15966
     Eigenvalues ---    0.15978   0.15993   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16006
     Eigenvalues ---    0.16010   0.16022   0.16047   0.16062   0.16078
     Eigenvalues ---    0.16113   0.16163   0.16288   0.16525   0.16900
     Eigenvalues ---    0.17292   0.17746   0.17983   0.18155   0.18608
     Eigenvalues ---    0.18969   0.19148   0.19472   0.20272   0.21556
     Eigenvalues ---    0.21705   0.21791   0.21933   0.22000   0.22001
     Eigenvalues ---    0.22004   0.22035   0.22153   0.22554   0.22631
     Eigenvalues ---    0.22793   0.23425   0.23485   0.23569   0.23644
     Eigenvalues ---    0.23746   0.23997   0.24302   0.24581   0.24631
     Eigenvalues ---    0.24849   0.25007   0.25043   0.25043   0.25300
     Eigenvalues ---    0.25441   0.25697   0.26099   0.26920   0.29215
     Eigenvalues ---    0.29365   0.29695   0.29770   0.29936   0.30114
     Eigenvalues ---    0.30225   0.30365   0.30550   0.30734   0.30959
     Eigenvalues ---    0.31335   0.31406   0.31430   0.31500   0.31610
     Eigenvalues ---    0.31640   0.31699   0.31785   0.32005   0.32220
     Eigenvalues ---    0.32319   0.32452   0.32599   0.32600   0.32730
     Eigenvalues ---    0.32778   0.32849   0.32913   0.32968   0.33032
     Eigenvalues ---    0.33047   0.33069   0.33171   0.33208   0.33318
     Eigenvalues ---    0.33528   0.33539   0.33575   0.33654   0.33683
     Eigenvalues ---    0.33700   0.33924   0.33973   0.33996   0.34095
     Eigenvalues ---    0.34183   0.34240   0.34338   0.34389   0.34413
     Eigenvalues ---    0.34492   0.34595   0.34722   0.35249   0.36036
     Eigenvalues ---    0.36246   0.36311   0.36376   0.36602   0.36689
     Eigenvalues ---    0.36873   0.36965   0.37259   0.38006   0.38523
     Eigenvalues ---    0.39253   0.39737   0.40498   0.41121   0.41376
     Eigenvalues ---    0.42406   0.42537   0.42917   0.43202   0.43388
     Eigenvalues ---    0.44286   0.44311   0.45137   0.46078   0.47466
     Eigenvalues ---    0.48112   0.48388   0.48452   0.48592   0.48872
     Eigenvalues ---    0.49167   0.49404   0.50005   0.50241   0.50989
     Eigenvalues ---    0.51243   0.51390   0.55397   0.56369   0.58348
     Eigenvalues ---    0.59541   0.62840   0.65164   0.75816   0.78465
     Eigenvalues ---    0.83705   0.85386   1.702611000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-9.50571646D-04 EMin= 1.00555972D-03
 Quartic linear search produced a step of -0.00002.
 Iteration  1 RMS(Cart)=  0.22496532 RMS(Int)=  0.00563165
 Iteration  2 RMS(Cart)=  0.03762380 RMS(Int)=  0.00014359
 Iteration  3 RMS(Cart)=  0.00046452 RMS(Int)=  0.00002861
 Iteration  4 RMS(Cart)=  0.00000010 RMS(Int)=  0.00002861
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89497  -0.00014   0.00000  -0.00012  -0.00012   2.89485
    R2        2.07168   0.00007   0.00000  -0.00010  -0.00010   2.07157
    R3        2.07362   0.00010   0.00000  -0.00010  -0.00010   2.07352
    R4        2.07239  -0.00011   0.00000  -0.00020  -0.00020   2.07219
    R5        2.89399  -0.00001   0.00000   0.00001   0.00001   2.89400
    R6        2.82873  -0.00029   0.00000   0.00015   0.00015   2.82888
    R7        2.13146  -0.00008   0.00000   0.00017   0.00017   2.13163
    R8        2.07234  -0.00007   0.00000  -0.00016  -0.00016   2.07218
    R9        2.07351  -0.00003   0.00000   0.00023   0.00023   2.07374
   R10        2.07231  -0.00001   0.00000  -0.00008  -0.00008   2.07223
   R11        2.47911  -0.00026   0.00000   0.00053   0.00053   2.47964
   R12        3.37134  -0.00004   0.00000  -0.00007  -0.00007   3.37127
   R13        2.68325  -0.00003   0.00000  -0.00118  -0.00118   2.68206
   R14        2.84294  -0.00028   0.00000   0.00080   0.00080   2.84374
   R15        2.57966  -0.00001   0.00000   0.00072   0.00072   2.58038
   R16        2.80160   0.00017   0.00000  -0.00070  -0.00070   2.80090
   R17        2.11131  -0.00008   0.00000   0.00063   0.00063   2.11194
   R18        2.11993  -0.00003   0.00000  -0.00037  -0.00037   2.11956
   R19        2.81080   0.00054   0.00000  -0.00049  -0.00049   2.81031
   R20        2.68172   0.00017   0.00000   0.00055   0.00055   2.68227
   R21        2.08283  -0.00002   0.00000  -0.00002  -0.00002   2.08281
   R22        2.09344   0.00006   0.00000   0.00024   0.00024   2.09368
   R23        2.08275   0.00001   0.00000   0.00015   0.00015   2.08290
   R24        2.31753  -0.00070   0.00000   0.00008   0.00008   2.31761
   R25        2.68964  -0.00060   0.00000  -0.00315  -0.00315   2.68649
   R26        2.80362  -0.00277   0.00000  -0.00358  -0.00358   2.80004
   R27        1.94319   0.00043   0.00000  -0.00090  -0.00090   1.94229
   R28        2.91434  -0.00129   0.00000   0.00095   0.00095   2.91529
   R29        2.94571  -0.00160   0.00000  -0.00057  -0.00057   2.94514
   R30        2.13581  -0.00008   0.00000  -0.00042  -0.00042   2.13539
   R31        2.31946  -0.00030   0.00000  -0.00079  -0.00079   2.31866
   R32        2.61969  -0.00035   0.00000   0.00107   0.00107   2.62076
   R33        2.81349  -0.00077   0.00000   0.00188   0.00188   2.81538
   R34        1.92483  -0.00002   0.00000  -0.00083  -0.00083   1.92401
   R35        2.92062  -0.00013   0.00000  -0.00214  -0.00214   2.91847
   R36        2.91591  -0.00063   0.00000   0.00544   0.00544   2.92135
   R37        2.13465  -0.00008   0.00000   0.00214   0.00214   2.13679
   R38        2.84173   0.00000   0.00000   0.00070   0.00070   2.84243
   R39        2.10306   0.00004   0.00000  -0.00021  -0.00021   2.10285
   R40        2.09823  -0.00001   0.00000   0.00022   0.00022   2.09845
   R41        2.65318   0.00001   0.00000   0.00056   0.00056   2.65374
   R42        2.65235  -0.00002   0.00000   0.00001   0.00001   2.65236
   R43        2.64056   0.00001   0.00000  -0.00007  -0.00007   2.64048
   R44        2.05916   0.00000   0.00000   0.00029   0.00029   2.05945
   R45        2.64231   0.00005   0.00000   0.00046   0.00046   2.64277
   R46        2.05895   0.00001   0.00000  -0.00007  -0.00007   2.05887
   R47        2.64276   0.00001   0.00000  -0.00005  -0.00005   2.64271
   R48        2.05616   0.00001   0.00000  -0.00008  -0.00008   2.05608
   R49        2.64059   0.00004   0.00000   0.00033   0.00033   2.64092
   R50        2.05838   0.00003   0.00000  -0.00001  -0.00001   2.05837
   R51        2.05540   0.00002   0.00000   0.00022   0.00022   2.05561
   R52        2.89697   0.00023   0.00000   0.00298   0.00298   2.89995
   R53        2.10085   0.00003   0.00000  -0.00088  -0.00088   2.09997
   R54        2.09308  -0.00008   0.00000  -0.00073  -0.00073   2.09235
   R55        2.73088   0.00025   0.00000   0.00029   0.00029   2.73117
   R56        2.94718   0.00008   0.00000  -0.00228  -0.00227   2.94491
   R57        2.10851   0.00028   0.00000   0.00204   0.00204   2.11055
   R58        1.88662  -0.00019   0.00000   0.00179   0.00179   1.88841
   R59        2.90401   0.00069   0.00000   0.00144   0.00144   2.90545
   R60        2.82408  -0.00022   0.00000   0.00142   0.00142   2.82550
   R61        2.12933  -0.00038   0.00000   0.00072   0.00072   2.13004
   R62        2.84149   0.00085   0.00000   0.00087   0.00087   2.84236
   R63        2.11371  -0.00007   0.00000   0.00051   0.00051   2.11422
   R64        2.09626   0.00003   0.00000  -0.00019  -0.00019   2.09606
   R65        2.65164   0.00042   0.00000   0.00018   0.00018   2.65182
   R66        2.65114   0.00009   0.00000   0.00051   0.00051   2.65165
   R67        2.63879   0.00006   0.00000   0.00049   0.00049   2.63928
   R68        2.06453   0.00026   0.00000  -0.00013  -0.00013   2.06440
   R69        2.64420  -0.00004   0.00000  -0.00008  -0.00008   2.64412
   R70        2.05723   0.00001   0.00000  -0.00015  -0.00015   2.05708
   R71        2.64204  -0.00004   0.00000   0.00039   0.00039   2.64244
   R72        2.05485   0.00001   0.00000  -0.00015  -0.00015   2.05471
   R73        2.64151   0.00007   0.00000  -0.00027  -0.00027   2.64124
   R74        2.05658   0.00000   0.00000   0.00002   0.00002   2.05659
   R75        2.05325  -0.00001   0.00000   0.00005   0.00005   2.05330
   R76        2.64208  -0.00058   0.00000   0.00248   0.00248   2.64456
   R77        1.95613  -0.00007   0.00000   0.00323   0.00323   1.95935
   R78        2.29337  -0.00043   0.00000   0.00021   0.00021   2.29358
   R79        2.64189  -0.00060   0.00000  -0.00251  -0.00251   2.63938
   R80        2.75601  -0.00031   0.00000   0.00095   0.00095   2.75697
   R81        2.79314   0.00034   0.00000   0.00029   0.00029   2.79342
   R82        2.09741   0.00007   0.00000  -0.00152  -0.00152   2.09589
   R83        2.09554   0.00018   0.00000   0.00031   0.00031   2.09585
   R84        2.59079   0.00059   0.00000   0.00125   0.00126   2.59205
   R85        3.28693  -0.00014   0.00000  -0.00151  -0.00150   3.28543
   R86        2.66243   0.00013   0.00000  -0.00075  -0.00075   2.66168
   R87        2.05259  -0.00003   0.00000  -0.00016  -0.00016   2.05243
   R88        2.48570   0.00041   0.00000   0.00216   0.00215   2.48785
   R89        3.33501  -0.00028   0.00000  -0.00383  -0.00383   3.33117
   R90        2.04735  -0.00020   0.00000  -0.00054  -0.00054   2.04681
   R91        2.89148  -0.00158   0.00000  -0.00140  -0.00140   2.89008
   R92        2.89193   0.00026   0.00000  -0.00016  -0.00016   2.89177
   R93        2.12165  -0.00010   0.00000   0.00103   0.00103   2.12268
   R94        2.07817  -0.00012   0.00000  -0.00088  -0.00088   2.07730
   R95        2.08695  -0.00058   0.00000   0.00271   0.00271   2.08966
   R96        2.07097   0.00019   0.00000  -0.00102  -0.00102   2.06994
   R97        2.07440   0.00001   0.00000   0.00000   0.00000   2.07439
   R98        2.08056  -0.00001   0.00000  -0.00007  -0.00007   2.08049
   R99        2.06863  -0.00005   0.00000   0.00028   0.00028   2.06891
   R100       3.28074  -0.00005   0.00000  -0.00119  -0.00119   3.27955
   R101       2.03951   0.00005   0.00000  -0.00055  -0.00055   2.03896
    A1        1.93426   0.00010   0.00000  -0.00057  -0.00057   1.93369
    A2        1.94520  -0.00004   0.00000   0.00004   0.00004   1.94524
    A3        1.96137  -0.00007   0.00000   0.00000   0.00000   1.96136
    A4        1.87423  -0.00001   0.00000  -0.00059  -0.00059   1.87364
    A5        1.86991   0.00001   0.00000   0.00039   0.00039   1.87029
    A6        1.87469   0.00002   0.00000   0.00076   0.00076   1.87545
    A7        1.95172   0.00003   0.00000  -0.00005  -0.00005   1.95167
    A8        1.92411   0.00002   0.00000   0.00065   0.00065   1.92476
    A9        1.88964  -0.00005   0.00000   0.00118   0.00118   1.89082
   A10        1.92874  -0.00008   0.00000  -0.00145  -0.00145   1.92729
   A11        1.88847   0.00005   0.00000   0.00004   0.00004   1.88851
   A12        1.87890   0.00003   0.00000  -0.00033  -0.00033   1.87857
   A13        1.96280  -0.00016   0.00000   0.00017   0.00017   1.96297
   A14        1.94551   0.00002   0.00000  -0.00066  -0.00066   1.94485
   A15        1.93430   0.00001   0.00000   0.00015   0.00015   1.93445
   A16        1.87501   0.00005   0.00000  -0.00022  -0.00022   1.87479
   A17        1.86783   0.00008   0.00000   0.00047   0.00047   1.86830
   A18        1.87406  -0.00001   0.00000   0.00013   0.00013   1.87419
   A19        2.20900  -0.00005   0.00000  -0.00059  -0.00059   2.20841
   A20        2.11733   0.00006   0.00000   0.00059   0.00059   2.11792
   A21        1.95686  -0.00001   0.00000   0.00001   0.00001   1.95686
   A22        1.96019   0.00003   0.00000  -0.00018  -0.00018   1.96001
   A23        2.03784  -0.00007   0.00000   0.00058   0.00058   2.03842
   A24        2.01206   0.00004   0.00000   0.00005   0.00005   2.01211
   A25        2.23321   0.00003   0.00000  -0.00065  -0.00065   2.23256
   A26        1.99099   0.00011   0.00000   0.00099   0.00099   1.99198
   A27        1.91598   0.00002   0.00000  -0.00219  -0.00219   1.91379
   A28        1.91567  -0.00020   0.00000  -0.00189  -0.00189   1.91378
   A29        1.91738  -0.00011   0.00000   0.00218   0.00218   1.91957
   A30        1.87720   0.00000   0.00000   0.00076   0.00076   1.87796
   A31        1.84022   0.00018   0.00000   0.00012   0.00012   1.84034
   A32        1.99531  -0.00034   0.00000  -0.00350  -0.00354   1.99177
   A33        2.12654   0.00000   0.00000  -0.00221  -0.00225   2.12429
   A34        2.01574   0.00027   0.00000  -0.00229  -0.00234   2.01340
   A35        1.90054   0.00003   0.00000   0.00035   0.00035   1.90090
   A36        1.91961   0.00011   0.00000  -0.00045  -0.00045   1.91916
   A37        1.96459  -0.00001   0.00000   0.00075   0.00075   1.96535
   A38        1.88768  -0.00007   0.00000   0.00002   0.00002   1.88770
   A39        1.90206  -0.00005   0.00000   0.00004   0.00004   1.90210
   A40        1.88781  -0.00001   0.00000  -0.00074  -0.00074   1.88708
   A41        2.11921   0.00060   0.00000   0.00175   0.00171   2.12092
   A42        2.05607  -0.00023   0.00000  -0.00179  -0.00184   2.05423
   A43        2.10785  -0.00037   0.00000  -0.00014  -0.00018   2.10767
   A44        2.04089  -0.00097   0.00000   0.00297   0.00295   2.04384
   A45        2.07997   0.00038   0.00000   0.00099   0.00097   2.08094
   A46        1.97940   0.00039   0.00000   0.00198   0.00196   1.98136
   A47        1.89880   0.00064   0.00000   0.00524   0.00524   1.90405
   A48        1.91362   0.00005   0.00000  -0.00317  -0.00317   1.91045
   A49        1.89262  -0.00043   0.00000   0.00220   0.00220   1.89482
   A50        1.94091  -0.00194   0.00000  -0.00107  -0.00107   1.93984
   A51        1.92667   0.00090   0.00000  -0.00308  -0.00309   1.92358
   A52        1.89064   0.00079   0.00000  -0.00011  -0.00011   1.89053
   A53        2.13580  -0.00112   0.00000   0.00532   0.00529   2.14109
   A54        2.03043   0.00173   0.00000  -0.00494  -0.00497   2.02547
   A55        2.11662  -0.00056   0.00000  -0.00006  -0.00008   2.11654
   A56        2.11377  -0.00252   0.00000   0.00667   0.00651   2.12028
   A57        2.11918   0.00134   0.00000  -0.00059  -0.00075   2.11843
   A58        2.03825   0.00095   0.00000  -0.00130  -0.00147   2.03678
   A59        1.91023   0.00131   0.00000   0.00080   0.00080   1.91103
   A60        1.93669  -0.00289   0.00000  -0.00029  -0.00029   1.93640
   A61        1.87382   0.00039   0.00000   0.00320   0.00320   1.87702
   A62        1.95842   0.00164   0.00000   0.00024   0.00024   1.95865
   A63        1.88499  -0.00055   0.00000  -0.00285  -0.00285   1.88214
   A64        1.89699   0.00009   0.00000  -0.00105  -0.00105   1.89594
   A65        1.99532  -0.00005   0.00000  -0.00106  -0.00106   1.99426
   A66        1.89671  -0.00001   0.00000   0.00169   0.00169   1.89841
   A67        1.89784   0.00004   0.00000  -0.00095  -0.00095   1.89689
   A68        1.91914  -0.00001   0.00000   0.00123   0.00123   1.92038
   A69        1.92244   0.00004   0.00000  -0.00101  -0.00101   1.92143
   A70        1.82436   0.00000   0.00000   0.00022   0.00022   1.82458
   A71        2.09504  -0.00010   0.00000   0.00016   0.00016   2.09521
   A72        2.10316   0.00004   0.00000   0.00007   0.00007   2.10323
   A73        2.08495   0.00006   0.00000  -0.00023  -0.00023   2.08472
   A74        2.09723  -0.00003   0.00000   0.00017   0.00017   2.09740
   A75        2.09745   0.00001   0.00000  -0.00022  -0.00022   2.09723
   A76        2.08841   0.00002   0.00000   0.00003   0.00003   2.08845
   A77        2.09854   0.00001   0.00000  -0.00011  -0.00011   2.09843
   A78        2.09053   0.00001   0.00000   0.00015   0.00015   2.09068
   A79        2.09411  -0.00001   0.00000  -0.00005  -0.00005   2.09406
   A80        2.08975   0.00000   0.00000   0.00004   0.00004   2.08979
   A81        2.09673   0.00001   0.00000  -0.00035  -0.00035   2.09638
   A82        2.09670  -0.00001   0.00000   0.00031   0.00031   2.09700
   A83        2.09916   0.00000   0.00000  -0.00002  -0.00002   2.09914
   A84        2.09261   0.00002   0.00000  -0.00007  -0.00007   2.09254
   A85        2.09141  -0.00003   0.00000   0.00009   0.00009   2.09150
   A86        2.09668  -0.00003   0.00000   0.00014   0.00014   2.09682
   A87        2.09775   0.00001   0.00000   0.00011   0.00011   2.09787
   A88        2.08874   0.00002   0.00000  -0.00025  -0.00025   2.08849
   A89        1.95648  -0.00352   0.00000  -0.00109  -0.00110   1.95538
   A90        1.92772   0.00080   0.00000   0.00110   0.00109   1.92882
   A91        1.90839   0.00121   0.00000   0.00118   0.00117   1.90956
   A92        1.89738   0.00081   0.00000   0.00323   0.00323   1.90061
   A93        1.92938   0.00146   0.00000  -0.00245  -0.00244   1.92694
   A94        1.84107  -0.00057   0.00000  -0.00200  -0.00200   1.83907
   A95        1.87983  -0.00026   0.00000   0.00973   0.00975   1.88959
   A96        1.97196   0.00278   0.00000   0.00916   0.00917   1.98114
   A97        1.95215  -0.00091   0.00000  -0.00411  -0.00409   1.94805
   A98        1.80499  -0.00088   0.00000  -0.00849  -0.00856   1.79643
   A99        1.90337   0.00010   0.00000  -0.00151  -0.00154   1.90184
   A100       1.94351  -0.00087   0.00000  -0.00479  -0.00480   1.93871
   A101       1.92056  -0.00037   0.00000  -0.00087  -0.00087   1.91968
   A102       1.93794   0.00103   0.00000   0.00328   0.00327   1.94121
   A103       1.90192  -0.00389   0.00000  -0.00900  -0.00900   1.89292
   A104       1.90439   0.00105   0.00000   0.00117   0.00116   1.90555
   A105       1.96891   0.00274   0.00000   0.00173   0.00174   1.97065
   A106       1.91451  -0.00126   0.00000   0.00150   0.00149   1.91600
   A107       1.83257   0.00025   0.00000   0.00116   0.00116   1.83373
   A108       1.94760   0.00037   0.00000  -0.00033  -0.00033   1.94727
   A109       1.92392   0.00024   0.00000   0.00170   0.00170   1.92562
   A110       1.91677  -0.00040   0.00000   0.00058   0.00058   1.91736
   A111       1.91653   0.00006   0.00000  -0.00044  -0.00044   1.91609
   A112       1.92653  -0.00033   0.00000  -0.00069  -0.00069   1.92584
   A113       1.82898   0.00003   0.00000  -0.00084  -0.00084   1.82814
   A114       2.09095   0.00086   0.00000   0.00060   0.00060   2.09156
   A115       2.10209  -0.00065   0.00000  -0.00008  -0.00008   2.10201
   A116       2.09014  -0.00021   0.00000  -0.00052  -0.00052   2.08962
   A117       2.09472   0.00000   0.00000   0.00037   0.00037   2.09510
   A118       2.08622   0.00013   0.00000   0.00027   0.00027   2.08649
   A119       2.10222  -0.00014   0.00000  -0.00064  -0.00064   2.10157
   A120       2.09801   0.00008   0.00000  -0.00020  -0.00020   2.09781
   A121       2.09154  -0.00006   0.00000   0.00025   0.00025   2.09179
   A122       2.09363  -0.00002   0.00000  -0.00005  -0.00005   2.09358
   A123       2.09135  -0.00002   0.00000   0.00002   0.00002   2.09137
   A124       2.09545   0.00002   0.00000  -0.00005  -0.00005   2.09540
   A125       2.09638  -0.00001   0.00000   0.00003   0.00003   2.09641
   A126       2.09863   0.00003   0.00000   0.00003   0.00003   2.09866
   A127       2.09335  -0.00003   0.00000  -0.00010  -0.00010   2.09325
   A128       2.09120  -0.00001   0.00000   0.00008   0.00008   2.09128
   A129       2.09350   0.00012   0.00000   0.00030   0.00030   2.09380
   A130       2.09871  -0.00002   0.00000  -0.00079  -0.00079   2.09792
   A131       2.09097  -0.00010   0.00000   0.00049   0.00049   2.09146
   A132       2.09347  -0.00017   0.00000  -0.01394  -0.01421   2.07926
   A133       1.95165  -0.00048   0.00000  -0.00599  -0.00632   1.94533
   A134       2.00915  -0.00017   0.00000  -0.00721  -0.00755   2.00160
   A135       2.27335   0.00070   0.00000  -0.00182  -0.00182   2.27152
   A136       1.87688  -0.00063   0.00000   0.00292   0.00291   1.87979
   A137       2.12791   0.00022   0.00000  -0.00066  -0.00066   2.12724
   A138       2.02959  -0.00092   0.00000  -0.00306  -0.00306   2.02653
   A139       1.89169  -0.00273   0.00000  -0.00344  -0.00345   1.88823
   A140       1.77227   0.00064   0.00000   0.00263   0.00263   1.77490
   A141       1.90651   0.00113   0.00000  -0.00163  -0.00165   1.90486
   A142       1.96818   0.00135   0.00000   0.00567   0.00568   1.97386
   A143       1.98793  -0.00008   0.00000  -0.00416  -0.00417   1.98376
   A144       1.92380  -0.00029   0.00000   0.00136   0.00136   1.92517
   A145       2.25334   0.00054   0.00000   0.00206   0.00200   2.25534
   A146       2.11919  -0.00063   0.00000  -0.00257  -0.00262   2.11657
   A147       1.90943   0.00008   0.00000  -0.00028  -0.00030   1.90913
   A148       2.01425  -0.00011   0.00000   0.00020   0.00022   2.01447
   A149       2.21265   0.00006   0.00000  -0.00073  -0.00074   2.21191
   A150       2.05628   0.00005   0.00000   0.00051   0.00050   2.05678
   A151       1.95184  -0.00023   0.00000  -0.00155  -0.00155   1.95029
   A152       1.97134   0.00026   0.00000   0.00111   0.00110   1.97245
   A153       2.18806  -0.00002   0.00000  -0.00131  -0.00131   2.18675
   A154       2.12355  -0.00023   0.00000   0.00019   0.00019   2.12374
   A155       1.57766   0.00002   0.00000   0.00054   0.00055   1.57821
   A156       1.97334  -0.00160   0.00000  -0.00173  -0.00174   1.97160
   A157       1.91662   0.00106   0.00000  -0.00100  -0.00100   1.91562
   A158       1.85416   0.00017   0.00000   0.00230   0.00230   1.85646
   A159       1.93718  -0.00011   0.00000   0.00052   0.00052   1.93770
   A160       1.88543   0.00086   0.00000  -0.00283  -0.00283   1.88261
   A161       1.89342  -0.00034   0.00000   0.00300   0.00300   1.89642
   A162       1.95938  -0.00066   0.00000  -0.00356  -0.00357   1.95582
   A163       1.96716  -0.00105   0.00000  -0.00260  -0.00261   1.96454
   A164       1.94298  -0.00010   0.00000   0.00418   0.00417   1.94715
   A165       1.85505   0.00069   0.00000   0.00342   0.00342   1.85847
   A166       1.85429   0.00093   0.00000  -0.01128  -0.01129   1.84301
   A167       1.87838   0.00036   0.00000   0.00981   0.00980   1.88818
   A168       1.93210   0.00007   0.00000   0.00100   0.00100   1.93310
   A169       1.96460  -0.00001   0.00000  -0.00122  -0.00122   1.96337
   A170       1.96057   0.00008   0.00000   0.00038   0.00038   1.96094
   A171       1.85143   0.00002   0.00000  -0.00133  -0.00133   1.85011
   A172       1.86388  -0.00011   0.00000   0.00056   0.00055   1.86444
   A173       1.88514  -0.00005   0.00000   0.00061   0.00061   1.88575
   A174       1.91545  -0.00011   0.00000   0.00014   0.00014   1.91559
   A175       2.24409  -0.00012   0.00000  -0.00220  -0.00220   2.24189
   A176       2.12365   0.00023   0.00000   0.00205   0.00205   2.12570
   A177       1.58022   0.00005   0.00000  -0.00003  -0.00003   1.58019
    D1        1.09501   0.00004   0.00000   0.01346   0.01346   1.10846
    D2       -3.03509  -0.00003   0.00000   0.01202   0.01202  -3.02307
    D3       -0.98392  -0.00001   0.00000   0.01268   0.01268  -0.97123
    D4       -3.10192   0.00006   0.00000   0.01235   0.01235  -3.08957
    D5       -0.94884  -0.00001   0.00000   0.01092   0.01092  -0.93792
    D6        1.10234   0.00001   0.00000   0.01158   0.01158   1.11392
    D7       -0.99655   0.00000   0.00000   0.01336   0.01336  -0.98319
    D8        1.15653  -0.00007   0.00000   0.01193   0.01193   1.16846
    D9       -3.07548  -0.00005   0.00000   0.01259   0.01259  -3.06289
   D10        1.00363   0.00001   0.00000   0.00977   0.00977   1.01341
   D11        3.11064  -0.00002   0.00000   0.00914   0.00914   3.11978
   D12       -1.08627   0.00000   0.00000   0.00896   0.00896  -1.07731
   D13       -1.14683   0.00002   0.00000   0.01002   0.01002  -1.13682
   D14        0.96017   0.00000   0.00000   0.00938   0.00938   0.96955
   D15        3.04645   0.00001   0.00000   0.00920   0.00920   3.05565
   D16        3.08325   0.00000   0.00000   0.01122   0.01122   3.09447
   D17       -1.09293  -0.00003   0.00000   0.01058   0.01058  -1.08234
   D18        0.99335  -0.00002   0.00000   0.01040   0.01040   1.00375
   D19        2.02874   0.00002   0.00000   0.01237   0.01237   2.04111
   D20       -1.10957  -0.00002   0.00000   0.00861   0.00861  -1.10096
   D21       -2.08804   0.00001   0.00000   0.01175   0.01175  -2.07629
   D22        1.05683  -0.00002   0.00000   0.00799   0.00799   1.06482
   D23       -0.02906   0.00005   0.00000   0.01079   0.01079  -0.01827
   D24        3.11581   0.00002   0.00000   0.00702   0.00703   3.12283
   D25       -3.13713   0.00007   0.00000  -0.00151  -0.00150  -3.13863
   D26        0.00144   0.00010   0.00000   0.00197   0.00197   0.00341
   D27        3.13604  -0.00002   0.00000   0.00142   0.00142   3.13746
   D28       -0.00271  -0.00005   0.00000  -0.00184  -0.00184  -0.00455
   D29        3.13017  -0.00007   0.00000  -0.00206  -0.00206   3.12811
   D30        0.00109  -0.00011   0.00000  -0.00111  -0.00111  -0.00001
   D31        2.16024  -0.00003   0.00000  -0.00683  -0.00683   2.15341
   D32       -1.96254  -0.00008   0.00000  -0.00493  -0.00493  -1.96747
   D33        0.05246   0.00004   0.00000  -0.00710  -0.00710   0.04535
   D34       -0.99571   0.00002   0.00000  -0.00792  -0.00792  -1.00363
   D35        1.16470  -0.00003   0.00000  -0.00602  -0.00602   1.15868
   D36       -3.10349   0.00008   0.00000  -0.00819  -0.00819  -3.11168
   D37       -0.00310   0.00007   0.00000  -0.00032  -0.00032  -0.00343
   D38       -3.14156  -0.00002   0.00000   0.00173   0.00172  -3.13983
   D39       -3.13053   0.00002   0.00000   0.00075   0.00075  -3.12978
   D40        0.01421  -0.00006   0.00000   0.00280   0.00280   0.01701
   D41       -1.24077   0.00032   0.00000   0.00168   0.00168  -1.23910
   D42        1.32127   0.00028   0.00000  -0.01351  -0.01350   1.30777
   D43        2.88275   0.00030   0.00000   0.00214   0.00213   2.88489
   D44       -0.83839   0.00027   0.00000  -0.01305  -0.01305  -0.85143
   D45        0.88831   0.00014   0.00000   0.00047   0.00047   0.88878
   D46       -2.83283   0.00011   0.00000  -0.01472  -0.01471  -2.84755
   D47       -1.13617  -0.00006   0.00000  -0.00417  -0.00416  -1.14034
   D48        3.08134  -0.00006   0.00000  -0.00414  -0.00413   3.07720
   D49        0.97499  -0.00011   0.00000  -0.00339  -0.00338   0.97161
   D50        2.54690   0.00005   0.00000   0.00996   0.00995   2.55686
   D51        0.48123   0.00005   0.00000   0.00999   0.00998   0.49121
   D52       -1.62512   0.00000   0.00000   0.01074   0.01073  -1.61438
   D53       -2.86842   0.00004   0.00000   0.02086   0.02085  -2.84757
   D54        0.28454   0.00090   0.00000   0.03853   0.03854   0.32307
   D55       -0.31263  -0.00018   0.00000   0.00514   0.00513  -0.30750
   D56        2.84033   0.00067   0.00000   0.02281   0.02281   2.86315
   D57        2.81364  -0.00016   0.00000   0.00504   0.00505   2.81869
   D58        0.32538   0.00003   0.00000  -0.00504  -0.00503   0.32035
   D59       -0.31666   0.00069   0.00000   0.02258   0.02257  -0.29408
   D60       -2.80492   0.00087   0.00000   0.01250   0.01250  -2.79242
   D61       -1.70974  -0.00069   0.00000   0.05333   0.05332  -1.65642
   D62        2.44739   0.00125   0.00000   0.05330   0.05330   2.50070
   D63        0.38628   0.00052   0.00000   0.05396   0.05396   0.44023
   D64        0.81516  -0.00083   0.00000   0.06245   0.06244   0.87760
   D65       -1.31089   0.00111   0.00000   0.06242   0.06243  -1.24847
   D66        2.91118   0.00038   0.00000   0.06307   0.06308   2.97426
   D67       -0.61303   0.00001   0.00000   0.01981   0.01979  -0.59324
   D68        2.50100   0.00186   0.00000   0.03279   0.03279   2.53380
   D69        1.49633  -0.00072   0.00000   0.01863   0.01862   1.51495
   D70       -1.67283   0.00113   0.00000   0.03162   0.03162  -1.64121
   D71       -2.68782  -0.00040   0.00000   0.01574   0.01573  -2.67209
   D72        0.42621   0.00145   0.00000   0.02872   0.02874   0.45494
   D73        1.08760   0.00057   0.00000  -0.02083  -0.02083   1.06677
   D74       -3.02159   0.00007   0.00000  -0.02218  -0.02218  -3.04376
   D75       -0.97738   0.00030   0.00000  -0.01787  -0.01787  -0.99525
   D76       -1.01302   0.00097   0.00000  -0.02461  -0.02461  -1.03763
   D77        1.16097   0.00047   0.00000  -0.02596  -0.02596   1.13502
   D78       -3.07801   0.00070   0.00000  -0.02165  -0.02165  -3.09966
   D79       -3.13323   0.00054   0.00000  -0.02004  -0.02004   3.12991
   D80       -0.95924   0.00005   0.00000  -0.02139  -0.02139  -0.98062
   D81        1.08497   0.00028   0.00000  -0.01708  -0.01708   1.06789
   D82        3.13711  -0.00269   0.00000  -0.00864  -0.00862   3.12849
   D83        0.16662  -0.00118   0.00000  -0.04233  -0.04232   0.12430
   D84       -0.03171  -0.00088   0.00000   0.00428   0.00427  -0.02744
   D85       -3.00221   0.00064   0.00000  -0.02940  -0.02942  -3.03163
   D86        2.55407   0.00099   0.00000   0.01355   0.01355   2.56763
   D87       -1.55841   0.00201   0.00000   0.01422   0.01422  -1.54420
   D88        0.51227   0.00072   0.00000   0.01473   0.01473   0.52699
   D89       -0.75100  -0.00040   0.00000   0.04576   0.04577  -0.70524
   D90        1.41969   0.00062   0.00000   0.04643   0.04643   1.46613
   D91       -2.79281  -0.00066   0.00000   0.04694   0.04694  -2.74587
   D92        1.06629  -0.00087   0.00000  -0.00713  -0.00713   1.05915
   D93       -1.08469  -0.00082   0.00000  -0.00928  -0.00928  -1.09398
   D94       -3.06076  -0.00083   0.00000  -0.00992  -0.00992  -3.07068
   D95       -1.09167   0.00076   0.00000  -0.00750  -0.00750  -1.09917
   D96        3.04054   0.00080   0.00000  -0.00965  -0.00965   3.03088
   D97        1.06447   0.00079   0.00000  -0.01029  -0.01029   1.05418
   D98        3.10104   0.00000   0.00000  -0.00448  -0.00448   3.09656
   D99        0.95006   0.00005   0.00000  -0.00663  -0.00663   0.94343
   D100      -1.02600   0.00004   0.00000  -0.00727  -0.00727  -1.03328
   D101       1.24470  -0.00124   0.00000   0.02927   0.02927   1.27398
   D102      -0.87405  -0.00042   0.00000   0.02513   0.02513  -0.84892
   D103      -2.89254  -0.00091   0.00000   0.02624   0.02624  -2.86630
   D104      -2.89540  -0.00047   0.00000   0.03027   0.03027  -2.86513
   D105       1.26903   0.00034   0.00000   0.02613   0.02613   1.29516
   D106      -0.74946  -0.00014   0.00000   0.02724   0.02724  -0.72222
   D107      -0.81194  -0.00008   0.00000   0.02618   0.02618  -0.78576
   D108      -2.93069   0.00073   0.00000   0.02204   0.02204  -2.90865
   D109       1.33400   0.00025   0.00000   0.02315   0.02315   1.35715
   D110      -1.63811   0.00001   0.00000  -0.00847  -0.00847  -1.64658
   D111       1.51185   0.00001   0.00000  -0.00911  -0.00911   1.50274
   D112       0.50072  -0.00004   0.00000  -0.00607  -0.00607   0.49465
   D113      -2.63251  -0.00004   0.00000  -0.00671  -0.00671  -2.63921
   D114       2.50223  -0.00003   0.00000  -0.00567  -0.00567   2.49656
   D115      -0.63099  -0.00003   0.00000  -0.00631  -0.00631  -0.63731
   D116       3.13968   0.00000   0.00000  -0.00051  -0.00051   3.13917
   D117      -0.01669   0.00000   0.00000  -0.00159  -0.00159  -0.01828
   D118      -0.01019   0.00000   0.00000   0.00012   0.00012  -0.01007
   D119       3.11662   0.00000   0.00000  -0.00096  -0.00096   3.11566
   D120      -3.13948   0.00000   0.00000   0.00075   0.00075  -3.13873
   D121       0.00746   0.00001   0.00000   0.00008   0.00008   0.00754
   D122       0.01043   0.00000   0.00000   0.00011   0.00011   0.01054
   D123      -3.12581   0.00001   0.00000  -0.00056  -0.00056  -3.12637
   D124       0.00231   0.00000   0.00000  -0.00033  -0.00033   0.00198
   D125       3.13992  -0.00001   0.00000  -0.00074  -0.00074   3.13918
   D126      -3.12458   0.00001   0.00000   0.00075   0.00075  -3.12384
   D127       0.01303   0.00000   0.00000   0.00034   0.00034   0.01337
   D128       0.00540   0.00000   0.00000   0.00031   0.00031   0.00570
   D129      -3.14107  -0.00001   0.00000   0.00004   0.00004  -3.14103
   D130      -3.13221   0.00001   0.00000   0.00071   0.00071  -3.13150
   D131       0.00451   0.00000   0.00000   0.00044   0.00044   0.00495
   D132      -0.00516   0.00000   0.00000  -0.00007  -0.00007  -0.00523
   D133       3.13426  -0.00001   0.00000  -0.00012  -0.00012   3.13414
   D134       3.14131   0.00001   0.00000   0.00020   0.00020   3.14151
   D135      -0.00246   0.00000   0.00000   0.00015   0.00015  -0.00230
   D136      -0.00279   0.00000   0.00000  -0.00014  -0.00014  -0.00293
   D137       3.13348  -0.00001   0.00000   0.00053   0.00053   3.13401
   D138       3.14098   0.00001   0.00000  -0.00009  -0.00009   3.14089
   D139      -0.00594  -0.00001   0.00000   0.00058   0.00058  -0.00536
   D140      -1.68778   0.00073   0.00000  -0.00855  -0.00852  -1.69630
   D141       2.61306   0.00047   0.00000  -0.00902  -0.00904   2.60402
   D142       0.40345   0.00014   0.00000  -0.00658  -0.00659   0.39687
   D143       0.44831  -0.00001   0.00000  -0.00564  -0.00561   0.44270
   D144      -1.53403  -0.00027   0.00000  -0.00611  -0.00613  -1.54016
   D145       2.53954  -0.00060   0.00000  -0.00367  -0.00368   2.53587
   D146       2.46137   0.00058   0.00000  -0.00754  -0.00752   2.45385
   D147       0.47903   0.00032   0.00000  -0.00801  -0.00804   0.47100
   D148      -1.73058  -0.00001   0.00000  -0.00558  -0.00558  -1.73616
   D149       1.84582  -0.00124   0.00000  -0.08152  -0.08150   1.76432
   D150      -2.34576   0.00138   0.00000  -0.07085  -0.07088  -2.41663
   D151      -0.27605  -0.00004   0.00000  -0.08152  -0.08152  -0.35757
   D152      -1.19745   0.00052   0.00000   0.05373   0.05372  -1.14373
   D153       2.90670  -0.00093   0.00000   0.05565   0.05564   2.96233
   D154       0.91480   0.00029   0.00000   0.05845   0.05844   0.97324
   D155       3.05841   0.00002   0.00000   0.04286   0.04288   3.10130
   D156       0.87937  -0.00142   0.00000   0.04478   0.04480   0.92417
   D157      -1.11252  -0.00020   0.00000   0.04758   0.04760  -1.06492
   D158       1.01675   0.00081   0.00000   0.05162   0.05160   1.06835
   D159      -1.16229  -0.00063   0.00000   0.05353   0.05352  -1.10877
   D160       3.12900   0.00059   0.00000   0.05634   0.05632  -3.09787
   D161       2.92698   0.00077   0.00000  -0.00266  -0.00266   2.92432
   D162      -1.22177   0.00127   0.00000  -0.00226  -0.00225  -1.22402
   D163       0.78481   0.00121   0.00000  -0.00197  -0.00197   0.78285
   D164      -1.21543  -0.00155   0.00000  -0.01071  -0.01071  -1.22614
   D165       0.91901  -0.00105   0.00000  -0.01030  -0.01030   0.90870
   D166       2.92558  -0.00111   0.00000  -0.01001  -0.01002   2.91557
   D167       0.82070  -0.00038   0.00000  -0.00723  -0.00723   0.81347
   D168       2.95514   0.00013   0.00000  -0.00682  -0.00682   2.94832
   D169      -1.32147   0.00007   0.00000  -0.00653  -0.00653  -1.32800
   D170       1.30510  -0.00099   0.00000  -0.02448  -0.02444   1.28066
   D171      -1.12646   0.00017   0.00000   0.01396   0.01392  -1.11254
   D172      -0.85569  -0.00136   0.00000  -0.02328  -0.02324  -0.87893
   D173       2.99594  -0.00020   0.00000   0.01516   0.01512   3.01106
   D174      -2.93989  -0.00148   0.00000  -0.02678  -0.02674  -2.96663
   D175       0.91173  -0.00032   0.00000   0.01166   0.01162   0.92336
   D176       1.66293   0.00049   0.00000  -0.00659  -0.00659   1.65634
   D177      -1.48056   0.00043   0.00000  -0.00670  -0.00670  -1.48726
   D178      -0.47575  -0.00011   0.00000  -0.00822  -0.00822  -0.48397
   D179       2.66394  -0.00018   0.00000  -0.00833  -0.00833   2.65561
   D180      -2.48367   0.00000   0.00000  -0.00656  -0.00656  -2.49023
   D181       0.65602  -0.00006   0.00000  -0.00667  -0.00667   0.64936
   D182       3.13693  -0.00003   0.00000  -0.00103  -0.00103   3.13590
   D183      -0.01168   0.00001   0.00000  -0.00120  -0.00120  -0.01288
   D184      -0.00278   0.00003   0.00000  -0.00092  -0.00092  -0.00370
   D185       3.13180   0.00007   0.00000  -0.00109  -0.00109   3.13071
   D186      -3.13650   0.00002   0.00000   0.00075   0.00075  -3.13574
   D187       0.00526   0.00004   0.00000   0.00140   0.00140   0.00666
   D188       0.00320  -0.00004   0.00000   0.00065   0.00065   0.00384
   D189      -3.13823  -0.00003   0.00000   0.00129   0.00129  -3.13694
   D190       0.00021  -0.00001   0.00000   0.00053   0.00053   0.00074
   D191       3.14049   0.00001   0.00000   0.00062   0.00062   3.14111
   D192      -3.13430  -0.00004   0.00000   0.00070   0.00070  -3.13360
   D193       0.00598  -0.00003   0.00000   0.00078   0.00078   0.00676
   D194       0.00195  -0.00002   0.00000   0.00014   0.00014   0.00209
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   D196      -3.13833  -0.00003   0.00000   0.00005   0.00005  -3.13828
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   D200       3.14140  -0.00001   0.00000  -0.00058  -0.00058   3.14082
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   D204       3.14071   0.00001   0.00000   0.00016   0.00016   3.14088
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   D206       0.62283   0.00016   0.00000   0.07684   0.07679   0.69961
   D207      -2.62737   0.00324   0.00000   0.08154   0.08149  -2.54588
   D208       3.03244  -0.00115   0.00000   0.03754   0.03759   3.07003
   D209      -0.21775   0.00193   0.00000   0.04224   0.04229  -0.17546
   D210       3.09779  -0.00283   0.00000  -0.01123  -0.01123   3.08656
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   D212      -1.50204   0.00171   0.00000   0.06292   0.06291  -1.43912
   D213       2.70498   0.00100   0.00000   0.05663   0.05663   2.76161
   D214       0.67302   0.00056   0.00000   0.05446   0.05446   0.72748
   D215      -1.21060  -0.00002   0.00000  -0.06713  -0.06713  -1.27773
   D216       1.87185  -0.00027   0.00000  -0.08612  -0.08610   1.78575
   D217       0.73727  -0.00013   0.00000  -0.06301  -0.06301   0.67426
   D218      -2.46346  -0.00039   0.00000  -0.08199  -0.08199  -2.54545
   D219       2.94670   0.00057   0.00000  -0.05977  -0.05978   2.88692
   D220      -0.25403   0.00032   0.00000  -0.07876  -0.07876  -0.33279
   D221       3.10007  -0.00055   0.00000  -0.01676  -0.01678   3.08330
   D222      -0.03698  -0.00033   0.00000  -0.01312  -0.01314  -0.05011
   D223       0.01198  -0.00030   0.00000   0.00049   0.00049   0.01247
   D224      -3.12507  -0.00007   0.00000   0.00412   0.00413  -3.12094
   D225      -3.11033   0.00057   0.00000   0.01580   0.01577  -3.09457
   D226      -0.01739   0.00038   0.00000   0.00028   0.00028  -0.01711
   D227       0.00317  -0.00001   0.00000  -0.00133  -0.00133   0.00184
   D228       3.14064  -0.00021   0.00000  -0.00462  -0.00463   3.13601
   D229      -0.01689   0.00031   0.00000   0.00149   0.00150  -0.01540
   D230      -3.13549  -0.00042   0.00000   0.00197   0.00197  -3.13352
   D231       0.02023  -0.00040   0.00000  -0.00104  -0.00104   0.01919
   D232       3.13979   0.00030   0.00000  -0.00152  -0.00152   3.13827
   D233      -1.12894   0.00056   0.00000  -0.01308  -0.01308  -1.14202
   D234       0.96527   0.00024   0.00000  -0.01306  -0.01306   0.95221
   D235       3.07790  -0.00010   0.00000   0.00082   0.00082   3.07872
   D236       2.99149   0.00044   0.00000  -0.01086  -0.01086   2.98063
   D237      -1.19749   0.00012   0.00000  -0.01084  -0.01085  -1.20834
   D238       0.91514  -0.00023   0.00000   0.00304   0.00304   0.91818
   D239       0.91775   0.00039   0.00000  -0.01308  -0.01308   0.90468
   D240       3.01196   0.00007   0.00000  -0.01306  -0.01306   2.99890
   D241      -1.15859  -0.00028   0.00000   0.00082   0.00083  -1.15777
   D242       2.97919   0.00065   0.00000   0.00588   0.00588   2.98506
   D243      -1.23523   0.00071   0.00000   0.00407   0.00407  -1.23116
   D244       0.89730   0.00069   0.00000   0.00424   0.00424   0.90154
   D245      -1.10923  -0.00071   0.00000   0.00328   0.00328  -1.10595
   D246       0.95954  -0.00065   0.00000   0.00147   0.00147   0.96101
   D247       3.09207  -0.00067   0.00000   0.00165   0.00164   3.09371
   D248       0.95969   0.00007   0.00000   0.00199   0.00199   0.96168
   D249       3.02846   0.00013   0.00000   0.00018   0.00018   3.02864
   D250      -1.12220   0.00010   0.00000   0.00035   0.00035  -1.12185
   D251       0.00318  -0.00001   0.00000   0.00116   0.00116   0.00434
   D252      -3.14130   0.00007   0.00000  -0.00073  -0.00074   3.14115
         Item               Value     Threshold  Converged?
 Maximum Force            0.003890     0.000450     NO 
 RMS     Force            0.000663     0.000300     NO 
 Maximum Displacement     1.846791     0.001800     NO 
 RMS     Displacement     0.258071     0.001200     NO 
 Predicted change in Energy=-5.496897D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.176765   -2.539048    1.190252
      2          6           0       -9.074652   -1.405243    0.165198
      3          6           0      -10.117148   -0.312547    0.419206
      4          6           0       -7.695534   -0.823048    0.171101
      5          7           0       -6.840949   -0.828877   -0.824610
      6          6           0       -5.616784   -0.194776   -0.487401
      7          6           0       -4.554755   -0.160131   -1.552977
      8          7           0       -4.080430    1.202626   -1.891705
      9          6           0       -5.072513    2.024154   -2.634997
     10          6           0       -3.214376    1.926587   -1.031175
     11          8           0       -3.064060    3.138483   -1.144460
     12          7           0       -2.493561    1.193123   -0.049600
     13          6           0       -1.307907    1.850354    0.548528
     14          6           0       -0.044608    1.406103   -0.217403
     15          8           0        0.078988    0.283318   -0.696537
     16          7           0        0.952012    2.360779   -0.354075
     17          6           0        2.229693    2.056560   -1.057342
     18          6           0        2.739961    3.327159   -1.771724
     19          6           0        3.024302    4.481988   -0.850860
     20          6           0        2.040898    5.458229   -0.622971
     21          6           0        2.301200    6.530552    0.234215
     22          6           0        3.542817    6.639674    0.868458
     23          6           0        4.527488    5.674123    0.636434
     24          6           0        4.272734    4.599855   -0.220362
     25          6           0        3.275458    1.476852   -0.077464
     26          6           0        2.944259    0.035319    0.331490
     27          8           0        2.259037    0.071397    1.603488
     28          6           0        4.204206   -0.828834    0.638597
     29          6           0        5.055844   -1.039554   -0.624020
     30          6           0        6.409038   -1.605089   -0.290272
     31          6           0        6.619782   -2.991292   -0.347119
     32          6           0        7.876433   -3.520431   -0.044691
     33          6           0        8.928843   -2.672082    0.316585
     34          6           0        8.719398   -1.290859    0.376949
     35          6           0        7.464036   -0.755342    0.075597
     36          7           0        3.757296   -2.113126    1.260255
     37          6           0        3.145027   -3.081963    0.457190
     38          8           0        3.406404   -3.441345   -0.672245
     39          8           0        2.183588   -3.732001    1.234275
     40          6           0        1.378947   -4.738801    0.550634
     41          6           0        0.282548   -4.048135   -0.160711
     42          6           0       -0.847399   -3.460751    0.348833
     43          7           0       -1.671113   -2.815513   -0.594051
     44          6           0       -1.182006   -2.907559   -1.812865
     45         16           0        0.348480   -3.779835   -1.877191
     46          6           0       -1.211745    1.473915    2.057823
     47          6           0       -1.047992   -0.029028    2.288684
     48          6           0       -0.073311    2.257472    2.714855
     49          6           0       -5.546074    0.297981    0.784103
     50         16           0       -7.035836   -0.014058    1.617817
     51          1           0      -10.143125   -3.050344    1.109991
     52          1           0       -8.394128   -3.292247    1.034864
     53          1           0       -9.086170   -2.178565    2.221893
     54          1           0       -9.259078   -1.836610   -0.860627
     55          1           0      -10.031064    0.123980    1.421430
     56          1           0      -10.023987    0.506649   -0.304998
     57          1           0      -11.133401   -0.714721    0.329974
     58          1           0       -3.691505   -0.799235   -1.244181
     59          1           0       -4.949356   -0.625555   -2.494098
     60          1           0       -5.247331    1.566479   -3.622296
     61          1           0       -4.674496    3.045871   -2.793674
     62          1           0       -6.034629    2.109659   -2.104038
     63          1           0       -2.387024    0.176858   -0.160333
     64          1           0       -1.438969    2.969935    0.469367
     65          1           0        0.894167    3.259299    0.121240
     66          1           0        2.006772    1.280179   -1.848612
     67          1           0        1.995478    3.628282   -2.542018
     68          1           0        3.651183    3.067899   -2.350999
     69          1           0        1.076079    5.391271   -1.125299
     70          1           0        1.534494    7.285607    0.404753
     71          1           0        3.743271    7.475184    1.535959
     72          1           0        5.497868    5.760368    1.123648
     73          1           0        5.048246    3.858337   -0.399266
     74          1           0        3.341753    2.104275    0.837326
     75          1           0        4.280127    1.525690   -0.540286
     76          1           0        2.287498   -0.465119   -0.420570
     77          1           0        1.275509   -0.038498    1.464927
     78          1           0        4.819411   -0.317471    1.432667
     79          1           0        4.528013   -1.717993   -1.340134
     80          1           0        5.162943   -0.080367   -1.170637
     81          1           0        5.793654   -3.650964   -0.622359
     82          1           0        8.036366   -4.596252   -0.089334
     83          1           0        9.906476   -3.086368    0.550750
     84          1           0        9.536164   -0.629576    0.659794
     85          1           0        7.308278    0.318800    0.126311
     86          1           0        3.293388   -1.951343    2.173307
     87          1           0        1.024500   -5.357914    1.399849
     88          1           0        2.033879   -5.337252   -0.114927
     89          1           0       -1.156105   -3.440843    1.389948
     90          1           0       -1.633498   -2.484589   -2.701917
     91          1           0       -2.182668    1.790627    2.525528
     92          1           0       -1.933965   -0.594996    1.967589
     93          1           0       -0.188407   -0.451916    1.736347
     94          1           0       -0.919263   -0.261429    3.351345
     95          1           0       -0.090258    2.127997    3.804782
     96          1           0        0.919389    1.915226    2.383942
     97          1           0       -0.142797    3.332998    2.522390
     98          1           0       -4.726494    0.814884    1.258744
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0733189      0.0290911      0.0227686
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3606.2351711212 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.250137700034     A.U. after   19 cycles
             Convg  =    0.8239D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000136535   -0.000025327   -0.000179412
      2        6          -0.000314563   -0.000293504   -0.000093701
      3        6           0.000175585   -0.000031602   -0.000093052
      4        6          -0.000136446    0.000511239   -0.000287838
      5        7           0.001021091   -0.000073067    0.000470405
      6        6          -0.000706810   -0.000215685   -0.000489638
      7        6           0.000837781    0.000423705    0.000868296
      8        7          -0.000505562    0.000320369    0.000145656
      9        6           0.000749146   -0.000319317   -0.000552171
     10        6          -0.000077413   -0.000688652   -0.001054098
     11        8          -0.000306882   -0.000111094    0.000231372
     12        7          -0.000381714   -0.002029430    0.001469246
     13        6           0.000158319    0.000819442    0.000835750
     14        6           0.000248931    0.001048845   -0.001541686
     15        8           0.000021910   -0.000950117    0.000530426
     16        7          -0.001176263    0.000197340   -0.000434798
     17        6          -0.000686336    0.000888277    0.001645338
     18        6          -0.000257145   -0.000776755    0.000028704
     19        6           0.000079540   -0.000181447   -0.000097309
     20        6          -0.000098783    0.000179535   -0.000113204
     21        6          -0.000187798    0.000021726    0.000046371
     22        6           0.000107092    0.000128103   -0.000044907
     23        6           0.000133872    0.000061890   -0.000044448
     24        6           0.000054258    0.000023946    0.000086306
     25        6           0.001624894    0.000976748    0.000216716
     26        6           0.000943538   -0.000604847   -0.000843989
     27        8           0.001062534    0.000423898   -0.000361753
     28        6          -0.001270963   -0.000801259   -0.000606079
     29        6          -0.000159374    0.000394212    0.000528079
     30        6          -0.000328493   -0.000226068    0.000214015
     31        6          -0.000443469   -0.000179605   -0.000034410
     32        6           0.000134516   -0.000201716   -0.000139936
     33        6           0.000095516   -0.000024963   -0.000055916
     34        6          -0.000134758    0.000050887    0.000073409
     35        6           0.000363975    0.000157835   -0.000106059
     36        7           0.000819733   -0.000409365   -0.000661338
     37        6          -0.000991901    0.001783015    0.000884794
     38        8           0.000953773   -0.000459350    0.000052782
     39        8          -0.000341438   -0.000060161    0.000587183
     40        6           0.000622203    0.000537467   -0.000504904
     41        6           0.000389068   -0.000652283   -0.000025591
     42        6          -0.000092747   -0.000385603    0.000308021
     43        7           0.001114645    0.000475213   -0.000266059
     44        6           0.000231961   -0.001259227   -0.000251156
     45       16          -0.000534653    0.000394981   -0.000098276
     46        6           0.000212525    0.000355400    0.000324120
     47        6          -0.000374782    0.002353310   -0.000153258
     48        6          -0.000150027   -0.000124369    0.000498500
     49        6          -0.000064215   -0.000065441   -0.000244993
     50       16           0.000104663    0.000042784    0.000146408
     51        1           0.000083456    0.000066963    0.000110303
     52        1          -0.000106654    0.000033368    0.000002838
     53        1          -0.000071186    0.000034396   -0.000103997
     54        1          -0.000045732   -0.000013716    0.000229451
     55        1          -0.000096168    0.000045030    0.000025124
     56        1           0.000014545    0.000003138    0.000061030
     57        1          -0.000008238    0.000019820   -0.000041421
     58        1          -0.000968484   -0.000031537    0.000635906
     59        1          -0.000241241   -0.000021170    0.000061174
     60        1           0.000020050   -0.000058786    0.000055459
     61        1           0.000096386    0.000076908   -0.000107039
     62        1          -0.000008383    0.000116594   -0.000075821
     63        1          -0.001136693    0.001377746    0.000128435
     64        1           0.000590940    0.000857786   -0.000329684
     65        1          -0.000058301   -0.000223347   -0.000030126
     66        1           0.000514044   -0.000633363    0.000537377
     67        1           0.000110148   -0.000033288    0.000051654
     68        1           0.000032946    0.000012945   -0.000201401
     69        1          -0.000052877   -0.000057317    0.000026318
     70        1           0.000011686   -0.000015805    0.000004861
     71        1          -0.000031100   -0.000030592    0.000002737
     72        1          -0.000051289    0.000011609    0.000009220
     73        1           0.000022326   -0.000017389   -0.000067143
     74        1           0.000212516    0.000228605    0.000037705
     75        1          -0.000079990   -0.000010624   -0.000244028
     76        1           0.000443834   -0.000140240   -0.000025183
     77        1          -0.000704638   -0.000134668   -0.000052510
     78        1           0.000101911    0.000586155   -0.000230361
     79        1          -0.000007212   -0.000374193   -0.000094701
     80        1           0.000132663   -0.000488484    0.000015871
     81        1           0.000137561    0.000308518    0.000052811
     82        1           0.000031286    0.000054945    0.000021661
     83        1          -0.000029986   -0.000037228    0.000005611
     84        1           0.000000485    0.000021276    0.000008889
     85        1          -0.000087785   -0.000048030    0.000011296
     86        1          -0.000559277   -0.000241522    0.000097907
     87        1          -0.000018256   -0.000318631    0.000065172
     88        1          -0.000084269    0.000168640    0.000408432
     89        1          -0.000019841    0.000303453   -0.000045181
     90        1           0.000140157    0.000085809   -0.000246895
     91        1          -0.000349760   -0.000237119   -0.000443091
     92        1          -0.000252343    0.000010713   -0.001573216
     93        1           0.000888794   -0.001242944    0.000332863
     94        1          -0.001227623   -0.001430007   -0.000111901
     95        1           0.000085144   -0.000047306   -0.000012081
     96        1           0.000036051   -0.000019511    0.000082732
     97        1          -0.000009066    0.000013261    0.000215549
     98        1          -0.000075606    0.000049227   -0.000074524
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002353310 RMS     0.000507464

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.011290209 RMS     0.001465769
 Search for a local minimum.
 Step number  42 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   40   39   41   42
 DE= -1.04D-03 DEPred=-5.50D-04 R= 1.90D+00
 SS=  1.41D+00  RLast= 4.01D-01 DXNew= 8.8530D-01 1.2022D+00
 Trust test= 1.90D+00 RLast= 4.01D-01 DXMaxT set to 8.85D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00020   0.00132   0.00170   0.00237   0.00293
     Eigenvalues ---    0.00330   0.00402   0.00475   0.00577   0.00614
     Eigenvalues ---    0.00726   0.00751   0.00853   0.00886   0.00933
     Eigenvalues ---    0.00966   0.01094   0.01141   0.01194   0.01224
     Eigenvalues ---    0.01276   0.01366   0.01403   0.01417   0.01440
     Eigenvalues ---    0.01455   0.01493   0.01586   0.01612   0.01642
     Eigenvalues ---    0.01750   0.01775   0.01926   0.02005   0.02076
     Eigenvalues ---    0.02143   0.02194   0.02202   0.02218   0.02226
     Eigenvalues ---    0.02257   0.02267   0.02278   0.02293   0.02329
     Eigenvalues ---    0.02376   0.02405   0.02407   0.02413   0.02424
     Eigenvalues ---    0.02451   0.02483   0.02485   0.02527   0.02528
     Eigenvalues ---    0.02659   0.02696   0.02790   0.03166   0.03453
     Eigenvalues ---    0.03733   0.03960   0.04042   0.04146   0.04240
     Eigenvalues ---    0.04264   0.04395   0.04657   0.04836   0.04945
     Eigenvalues ---    0.04973   0.05052   0.05134   0.05150   0.05242
     Eigenvalues ---    0.05323   0.05390   0.05433   0.05459   0.05538
     Eigenvalues ---    0.05617   0.05678   0.05719   0.05760   0.05787
     Eigenvalues ---    0.05827   0.05875   0.05921   0.05982   0.06051
     Eigenvalues ---    0.06301   0.06506   0.06714   0.06883   0.07097
     Eigenvalues ---    0.07131   0.07508   0.07941   0.08260   0.08354
     Eigenvalues ---    0.08629   0.09368   0.09719   0.09846   0.10325
     Eigenvalues ---    0.11923   0.12895   0.13116   0.13169   0.13451
     Eigenvalues ---    0.13656   0.14001   0.14274   0.14442   0.15539
     Eigenvalues ---    0.15652   0.15799   0.15927   0.15955   0.15973
     Eigenvalues ---    0.15977   0.15996   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16002   0.16006
     Eigenvalues ---    0.16011   0.16019   0.16044   0.16063   0.16078
     Eigenvalues ---    0.16105   0.16179   0.16230   0.16528   0.16900
     Eigenvalues ---    0.17265   0.17693   0.17971   0.18144   0.18469
     Eigenvalues ---    0.18948   0.19044   0.19320   0.20281   0.21431
     Eigenvalues ---    0.21714   0.21828   0.21983   0.22000   0.22001
     Eigenvalues ---    0.22003   0.22068   0.22365   0.22494   0.22686
     Eigenvalues ---    0.23380   0.23443   0.23491   0.23632   0.23719
     Eigenvalues ---    0.24073   0.24218   0.24529   0.24622   0.24640
     Eigenvalues ---    0.24914   0.25013   0.25042   0.25095   0.25193
     Eigenvalues ---    0.25442   0.25981   0.26316   0.28547   0.29312
     Eigenvalues ---    0.29519   0.29766   0.29910   0.29970   0.30174
     Eigenvalues ---    0.30229   0.30414   0.30554   0.30736   0.30961
     Eigenvalues ---    0.31335   0.31404   0.31430   0.31500   0.31619
     Eigenvalues ---    0.31628   0.31688   0.31870   0.32026   0.32227
     Eigenvalues ---    0.32330   0.32469   0.32591   0.32698   0.32759
     Eigenvalues ---    0.32804   0.32849   0.32913   0.32971   0.33033
     Eigenvalues ---    0.33065   0.33126   0.33175   0.33258   0.33333
     Eigenvalues ---    0.33510   0.33563   0.33604   0.33670   0.33682
     Eigenvalues ---    0.33706   0.33936   0.33972   0.34004   0.34089
     Eigenvalues ---    0.34180   0.34241   0.34362   0.34390   0.34491
     Eigenvalues ---    0.34519   0.34599   0.34737   0.35236   0.36151
     Eigenvalues ---    0.36249   0.36312   0.36376   0.36395   0.36639
     Eigenvalues ---    0.36843   0.36962   0.37353   0.38335   0.38561
     Eigenvalues ---    0.39366   0.40146   0.40791   0.41153   0.42277
     Eigenvalues ---    0.42488   0.42906   0.42951   0.43320   0.44213
     Eigenvalues ---    0.44564   0.45152   0.46029   0.46823   0.47531
     Eigenvalues ---    0.48109   0.48387   0.48459   0.48618   0.48911
     Eigenvalues ---    0.49214   0.49467   0.50001   0.50573   0.50985
     Eigenvalues ---    0.51239   0.51392   0.56356   0.56581   0.58629
     Eigenvalues ---    0.59617   0.62928   0.65168   0.76032   0.78698
     Eigenvalues ---    0.83722   1.05965   2.393861000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-1.62351312D-03 EMin= 1.95009106D-04
 Quartic linear search produced a step of  0.19647.
 Iteration  1 RMS(Cart)=  0.28075122 RMS(Int)=  0.01136160
 Iteration  2 RMS(Cart)=  0.13258571 RMS(Int)=  0.00188922
 Iteration  3 RMS(Cart)=  0.00572430 RMS(Int)=  0.00007047
 Iteration  4 RMS(Cart)=  0.00001099 RMS(Int)=  0.00007040
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00007040
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89485  -0.00014  -0.00002  -0.00012  -0.00014   2.89471
    R2        2.07157   0.00013  -0.00002   0.00002   0.00000   2.07157
    R3        2.07352   0.00011  -0.00002  -0.00025  -0.00027   2.07324
    R4        2.07219  -0.00010  -0.00004  -0.00042  -0.00046   2.07173
    R5        2.89400   0.00007   0.00000  -0.00024  -0.00024   2.89376
    R6        2.82888  -0.00029   0.00003  -0.00075  -0.00072   2.82816
    R7        2.13163  -0.00013   0.00003   0.00023   0.00026   2.13189
    R8        2.07218  -0.00004  -0.00003  -0.00020  -0.00024   2.07194
    R9        2.07374  -0.00006   0.00004   0.00010   0.00014   2.07388
   R10        2.07223   0.00000  -0.00002  -0.00007  -0.00009   2.07214
   R11        2.47964  -0.00059   0.00010   0.00088   0.00098   2.48062
   R12        3.37127   0.00009  -0.00001  -0.00120  -0.00122   3.37005
   R13        2.68206   0.00052  -0.00023  -0.00202  -0.00226   2.67981
   R14        2.84374  -0.00044   0.00016  -0.00030  -0.00014   2.84360
   R15        2.58038  -0.00019   0.00014   0.00140   0.00154   2.58192
   R16        2.80090   0.00103  -0.00014  -0.00120  -0.00134   2.79956
   R17        2.11194   0.00116   0.00012   0.00188   0.00200   2.11394
   R18        2.11956  -0.00006  -0.00007  -0.00062  -0.00070   2.11886
   R19        2.81031   0.00107  -0.00010   0.00009  -0.00001   2.81030
   R20        2.68227   0.00044   0.00011   0.00184   0.00194   2.68421
   R21        2.08281  -0.00008   0.00000  -0.00005  -0.00005   2.08276
   R22        2.09368   0.00001   0.00005   0.00052   0.00056   2.09424
   R23        2.08290  -0.00004   0.00003  -0.00009  -0.00006   2.08284
   R24        2.31761  -0.00013   0.00002  -0.00054  -0.00053   2.31708
   R25        2.68649  -0.00001  -0.00062  -0.00502  -0.00564   2.68086
   R26        2.80004  -0.00183  -0.00070  -0.00665  -0.00736   2.79268
   R27        1.94229   0.00164  -0.00018  -0.00031  -0.00048   1.94181
   R28        2.91529  -0.00205   0.00019   0.00120   0.00139   2.91667
   R29        2.94514  -0.00067  -0.00011  -0.00217  -0.00228   2.94286
   R30        2.13539  -0.00012  -0.00008  -0.00055  -0.00063   2.13476
   R31        2.31866  -0.00074  -0.00016  -0.00195  -0.00211   2.31656
   R32        2.62076  -0.00058   0.00021   0.00223   0.00244   2.62320
   R33        2.81538  -0.00339   0.00037   0.00325   0.00362   2.81899
   R34        1.92401   0.00018  -0.00016  -0.00202  -0.00218   1.92182
   R35        2.91847   0.00062  -0.00042  -0.00273  -0.00315   2.91532
   R36        2.92135  -0.00327   0.00107   0.00981   0.01088   2.93224
   R37        2.13679  -0.00080   0.00042   0.00394   0.00436   2.14115
   R38        2.84243  -0.00014   0.00014   0.00126   0.00140   2.84383
   R39        2.10285   0.00002  -0.00004   0.00025   0.00020   2.10306
   R40        2.09845   0.00004   0.00004  -0.00004   0.00001   2.09846
   R41        2.65374  -0.00023   0.00011   0.00119   0.00130   2.65504
   R42        2.65236  -0.00015   0.00000  -0.00008  -0.00008   2.65228
   R43        2.64048  -0.00007  -0.00001  -0.00032  -0.00034   2.64015
   R44        2.05945  -0.00008   0.00006   0.00049   0.00055   2.05999
   R45        2.64277  -0.00015   0.00009   0.00077   0.00086   2.64363
   R46        2.05887   0.00002  -0.00001  -0.00010  -0.00012   2.05876
   R47        2.64271  -0.00007  -0.00001  -0.00030  -0.00031   2.64240
   R48        2.05608   0.00002  -0.00001  -0.00020  -0.00022   2.05587
   R49        2.64092  -0.00010   0.00007   0.00058   0.00065   2.64157
   R50        2.05837   0.00003   0.00000  -0.00003  -0.00003   2.05834
   R51        2.05561  -0.00004   0.00004   0.00028   0.00032   2.05594
   R52        2.89995  -0.00201   0.00059   0.00574   0.00632   2.90627
   R53        2.09997  -0.00013  -0.00017  -0.00172  -0.00189   2.09808
   R54        2.09235   0.00018  -0.00014  -0.00130  -0.00144   2.09092
   R55        2.73117  -0.00019   0.00006   0.00014   0.00020   2.73137
   R56        2.94491  -0.00017  -0.00045  -0.00488  -0.00533   2.93958
   R57        2.11055   0.00000   0.00040   0.00414   0.00454   2.11509
   R58        1.88841  -0.00067   0.00035   0.00248   0.00283   1.89123
   R59        2.90545  -0.00031   0.00028   0.00172   0.00200   2.90745
   R60        2.82550   0.00030   0.00028  -0.00499  -0.00471   2.82079
   R61        2.13004  -0.00064   0.00014  -0.00019  -0.00005   2.13000
   R62        2.84236   0.00028   0.00017   0.00212   0.00229   2.84465
   R63        2.11422  -0.00035   0.00010  -0.00084  -0.00074   2.11348
   R64        2.09606   0.00021  -0.00004   0.00138   0.00134   2.09740
   R65        2.65182   0.00008   0.00004   0.00004   0.00008   2.65190
   R66        2.65165  -0.00014   0.00010   0.00104   0.00114   2.65279
   R67        2.63928  -0.00015   0.00010   0.00094   0.00104   2.64032
   R68        2.06440   0.00034  -0.00003  -0.00001  -0.00003   2.06437
   R69        2.64412  -0.00005  -0.00002  -0.00041  -0.00043   2.64369
   R70        2.05708   0.00003  -0.00003  -0.00004  -0.00007   2.05701
   R71        2.64244  -0.00017   0.00008   0.00065   0.00073   2.64317
   R72        2.05471   0.00004  -0.00003  -0.00024  -0.00027   2.05444
   R73        2.64124   0.00005  -0.00005  -0.00042  -0.00047   2.64078
   R74        2.05659  -0.00002   0.00000  -0.00001   0.00000   2.05659
   R75        2.05330  -0.00001   0.00001   0.00008   0.00009   2.05339
   R76        2.64456   0.00065   0.00049  -0.00966  -0.00917   2.63539
   R77        1.95935  -0.00017   0.00063  -0.00255  -0.00192   1.95744
   R78        2.29358  -0.00075   0.00004   0.00055   0.00059   2.29417
   R79        2.63938   0.00051  -0.00049  -0.00121  -0.00170   2.63768
   R80        2.75697  -0.00032   0.00019   0.00291   0.00310   2.76007
   R81        2.79342   0.00114   0.00006   0.00100   0.00106   2.79448
   R82        2.09589   0.00001  -0.00030  -0.00258  -0.00288   2.09301
   R83        2.09585   0.00006   0.00006   0.00114   0.00120   2.09705
   R84        2.59205   0.00060   0.00025   0.00238   0.00264   2.59469
   R85        3.28543   0.00027  -0.00030  -0.00266  -0.00294   3.28248
   R86        2.66168   0.00074  -0.00015  -0.00049  -0.00064   2.66104
   R87        2.05243  -0.00017  -0.00003  -0.00056  -0.00059   2.05184
   R88        2.48785   0.00010   0.00042   0.00370   0.00412   2.49196
   R89        3.33117   0.00085  -0.00075  -0.00714  -0.00790   3.32327
   R90        2.04681   0.00030  -0.00011  -0.00075  -0.00086   2.04595
   R91        2.89008  -0.00078  -0.00028  -0.00572  -0.00600   2.88408
   R92        2.89177   0.00020  -0.00003   0.00022   0.00018   2.89195
   R93        2.12268  -0.00042   0.00020   0.00214   0.00234   2.12503
   R94        2.07730  -0.00027  -0.00017  -0.00305  -0.00323   2.07407
   R95        2.08966  -0.00124   0.00053   0.00325   0.00378   2.09345
   R96        2.06994   0.00050  -0.00020  -0.00018  -0.00038   2.06957
   R97        2.07439   0.00002   0.00000   0.00035   0.00035   2.07475
   R98        2.08049  -0.00005  -0.00001  -0.00005  -0.00007   2.08043
   R99        2.06891  -0.00016   0.00005   0.00018   0.00023   2.06914
   R100       3.27955   0.00023  -0.00023  -0.00297  -0.00321   3.27635
   R101       2.03896  -0.00001  -0.00011  -0.00058  -0.00068   2.03828
    A1        1.93369   0.00014  -0.00011  -0.00008  -0.00020   1.93349
    A2        1.94524  -0.00004   0.00001  -0.00020  -0.00019   1.94504
    A3        1.96136  -0.00010   0.00000  -0.00023  -0.00023   1.96113
    A4        1.87364  -0.00002  -0.00012  -0.00060  -0.00072   1.87292
    A5        1.87029  -0.00001   0.00008   0.00050   0.00058   1.87087
    A6        1.87545   0.00003   0.00015   0.00064   0.00078   1.87623
    A7        1.95167   0.00002  -0.00001  -0.00019  -0.00020   1.95147
    A8        1.92476   0.00000   0.00013   0.00074   0.00087   1.92563
    A9        1.89082  -0.00009   0.00023   0.00145   0.00168   1.89251
   A10        1.92729   0.00000  -0.00028  -0.00253  -0.00281   1.92448
   A11        1.88851   0.00005   0.00001   0.00065   0.00066   1.88917
   A12        1.87857   0.00003  -0.00007  -0.00004  -0.00011   1.87846
   A13        1.96297  -0.00015   0.00003  -0.00054  -0.00051   1.96246
   A14        1.94485   0.00006  -0.00013  -0.00090  -0.00103   1.94382
   A15        1.93445   0.00001   0.00003   0.00059   0.00061   1.93506
   A16        1.87479   0.00004  -0.00004  -0.00022  -0.00027   1.87452
   A17        1.86830   0.00007   0.00009   0.00081   0.00090   1.86920
   A18        1.87419  -0.00002   0.00002   0.00035   0.00038   1.87456
   A19        2.20841   0.00004  -0.00012  -0.00138  -0.00150   2.20690
   A20        2.11792   0.00004   0.00012   0.00125   0.00135   2.11927
   A21        1.95686  -0.00008   0.00000   0.00013   0.00011   1.95697
   A22        1.96001   0.00024  -0.00003  -0.00058  -0.00062   1.95940
   A23        2.03842   0.00040   0.00011   0.00271   0.00282   2.04124
   A24        2.01211  -0.00018   0.00001   0.00004   0.00005   2.01216
   A25        2.23256  -0.00022  -0.00013  -0.00272  -0.00285   2.22971
   A26        1.99198  -0.00061   0.00019   0.00049   0.00069   1.99267
   A27        1.91379   0.00021  -0.00043  -0.00285  -0.00328   1.91051
   A28        1.91378   0.00018  -0.00037  -0.00249  -0.00286   1.91092
   A29        1.91957   0.00022   0.00043   0.00205   0.00248   1.92204
   A30        1.87796   0.00017   0.00015   0.00197   0.00212   1.88007
   A31        1.84034  -0.00013   0.00002   0.00093   0.00095   1.84128
   A32        1.99177   0.00042  -0.00070  -0.00566  -0.00649   1.98528
   A33        2.12429  -0.00072  -0.00044  -0.00532  -0.00590   2.11839
   A34        2.01340   0.00028  -0.00046  -0.00226  -0.00287   2.01053
   A35        1.90090  -0.00009   0.00007  -0.00029  -0.00022   1.90067
   A36        1.91916   0.00025  -0.00009   0.00068   0.00059   1.91975
   A37        1.96535   0.00008   0.00015   0.00091   0.00106   1.96640
   A38        1.88770  -0.00009   0.00000  -0.00023  -0.00023   1.88747
   A39        1.90210  -0.00008   0.00001  -0.00007  -0.00006   1.90203
   A40        1.88708  -0.00007  -0.00015  -0.00104  -0.00118   1.88589
   A41        2.12092   0.00125   0.00034   0.00544   0.00550   2.12641
   A42        2.05423  -0.00168  -0.00036  -0.00778  -0.00841   2.04582
   A43        2.10767   0.00042  -0.00004   0.00136   0.00106   2.10873
   A44        2.04384   0.00043   0.00058   0.00404   0.00461   2.04845
   A45        2.08094  -0.00052   0.00019  -0.00401  -0.00383   2.07710
   A46        1.98136  -0.00016   0.00038   0.00116   0.00154   1.98290
   A47        1.90405  -0.00125   0.00103   0.00382   0.00485   1.90890
   A48        1.91045   0.00046  -0.00062  -0.00834  -0.00896   1.90150
   A49        1.89482   0.00014   0.00043   0.00521   0.00565   1.90047
   A50        1.93984  -0.00125  -0.00021   0.00355   0.00335   1.94319
   A51        1.92358   0.00142  -0.00061  -0.00633  -0.00695   1.91663
   A52        1.89053   0.00052  -0.00002   0.00207   0.00206   1.89259
   A53        2.14109  -0.00368   0.00104   0.00800   0.00892   2.15001
   A54        2.02547   0.00751  -0.00098  -0.00857  -0.00966   2.01581
   A55        2.11654  -0.00380  -0.00002   0.00088   0.00076   2.11729
   A56        2.12028  -0.01129   0.00128   0.00876   0.00971   2.12999
   A57        2.11843   0.00555  -0.00015  -0.00176  -0.00224   2.11619
   A58        2.03678   0.00543  -0.00029  -0.00252  -0.00314   2.03364
   A59        1.91103   0.00366   0.00016   0.00239   0.00255   1.91358
   A60        1.93640  -0.00478  -0.00006  -0.00186  -0.00192   1.93448
   A61        1.87702  -0.00087   0.00063   0.00511   0.00574   1.88276
   A62        1.95865   0.00288   0.00005   0.00238   0.00243   1.96108
   A63        1.88214  -0.00057  -0.00056  -0.00422  -0.00478   1.87735
   A64        1.89594  -0.00040  -0.00021  -0.00380  -0.00400   1.89194
   A65        1.99426   0.00037  -0.00021  -0.00190  -0.00211   1.99215
   A66        1.89841  -0.00016   0.00033   0.00289   0.00322   1.90163
   A67        1.89689   0.00002  -0.00019  -0.00157  -0.00177   1.89512
   A68        1.92038  -0.00018   0.00024   0.00204   0.00229   1.92266
   A69        1.92143  -0.00011  -0.00020  -0.00122  -0.00143   1.92001
   A70        1.82458   0.00003   0.00004  -0.00007  -0.00002   1.82456
   A71        2.09521  -0.00019   0.00003   0.00032   0.00035   2.09556
   A72        2.10323   0.00010   0.00001  -0.00004  -0.00002   2.10320
   A73        2.08472   0.00009  -0.00004  -0.00028  -0.00033   2.08440
   A74        2.09740  -0.00004   0.00003   0.00011   0.00015   2.09755
   A75        2.09723   0.00003  -0.00004  -0.00042  -0.00047   2.09676
   A76        2.08845   0.00001   0.00001   0.00028   0.00028   2.08873
   A77        2.09843   0.00002  -0.00002  -0.00007  -0.00009   2.09835
   A78        2.09068   0.00000   0.00003   0.00036   0.00039   2.09107
   A79        2.09406  -0.00002  -0.00001  -0.00030  -0.00031   2.09376
   A80        2.08979  -0.00002   0.00001   0.00006   0.00007   2.08986
   A81        2.09638   0.00005  -0.00007  -0.00054  -0.00061   2.09577
   A82        2.09700  -0.00003   0.00006   0.00047   0.00053   2.09754
   A83        2.09914   0.00001   0.00000   0.00004   0.00003   2.09917
   A84        2.09254   0.00004  -0.00001   0.00013   0.00012   2.09266
   A85        2.09150  -0.00005   0.00002  -0.00017  -0.00015   2.09135
   A86        2.09682  -0.00005   0.00003   0.00013   0.00016   2.09698
   A87        2.09787   0.00002   0.00002   0.00008   0.00010   2.09796
   A88        2.08849   0.00003  -0.00005  -0.00020  -0.00025   2.08824
   A89        1.95538  -0.01070  -0.00022  -0.00884  -0.00906   1.94632
   A90        1.92882   0.00408   0.00021   0.00488   0.00511   1.93393
   A91        1.90956   0.00223   0.00023   0.00140   0.00160   1.91116
   A92        1.90061   0.00133   0.00063   0.00718   0.00783   1.90844
   A93        1.92694   0.00529  -0.00048  -0.00149  -0.00198   1.92495
   A94        1.83907  -0.00156  -0.00039  -0.00266  -0.00305   1.83601
   A95        1.88959  -0.00262   0.00192   0.01314   0.01506   1.90464
   A96        1.98114   0.00790   0.00180   0.01919   0.02099   2.00213
   A97        1.94805  -0.00211  -0.00080  -0.01073  -0.01143   1.93662
   A98        1.79643  -0.00102  -0.00168  -0.00861  -0.01058   1.78584
   A99        1.90184   0.00107  -0.00030   0.00025  -0.00011   1.90173
   A100       1.93871  -0.00331  -0.00094  -0.01260  -0.01353   1.92518
   A101       1.91968  -0.00037  -0.00017  -0.00394  -0.00412   1.91556
   A102       1.94121   0.00084   0.00064   0.00671   0.00723   1.94844
   A103       1.89292  -0.00626  -0.00177  -0.02146  -0.02321   1.86971
   A104       1.90555   0.00276   0.00023   0.00465   0.00485   1.91040
   A105       1.97065   0.00393   0.00034  -0.00189  -0.00158   1.96907
   A106       1.91600  -0.00195   0.00029   0.00504   0.00527   1.92127
   A107       1.83373   0.00069   0.00023   0.00695   0.00720   1.84092
   A108       1.94727   0.00015  -0.00006   0.00058   0.00051   1.94779
   A109       1.92562   0.00017   0.00033   0.00201   0.00235   1.92796
   A110       1.91736  -0.00043   0.00011  -0.00121  -0.00109   1.91626
   A111       1.91609   0.00006  -0.00009   0.00066   0.00057   1.91666
   A112       1.92584  -0.00006  -0.00014  -0.00305  -0.00318   1.92265
   A113       1.82814   0.00011  -0.00017   0.00101   0.00085   1.82899
   A114       2.09156   0.00042   0.00012   0.00225   0.00237   2.09393
   A115       2.10201  -0.00044  -0.00002  -0.00131  -0.00133   2.10068
   A116       2.08962   0.00002  -0.00010  -0.00094  -0.00104   2.08858
   A117       2.09510  -0.00009   0.00007   0.00061   0.00068   2.09578
   A118       2.08649   0.00006   0.00005   0.00071   0.00077   2.08726
   A119       2.10157   0.00003  -0.00013  -0.00133  -0.00145   2.10012
   A120       2.09781   0.00009  -0.00004  -0.00016  -0.00020   2.09761
   A121       2.09179  -0.00010   0.00005   0.00020   0.00025   2.09205
   A122       2.09358   0.00001  -0.00001  -0.00004  -0.00006   2.09352
   A123       2.09137  -0.00002   0.00000  -0.00011  -0.00010   2.09127
   A124       2.09540   0.00004  -0.00001   0.00006   0.00005   2.09545
   A125       2.09641  -0.00002   0.00001   0.00005   0.00005   2.09646
   A126       2.09866  -0.00001   0.00001   0.00012   0.00012   2.09878
   A127       2.09325  -0.00001  -0.00002  -0.00015  -0.00017   2.09308
   A128       2.09128   0.00001   0.00001   0.00003   0.00005   2.09133
   A129       2.09380   0.00000   0.00006   0.00047   0.00053   2.09433
   A130       2.09792   0.00010  -0.00015  -0.00059  -0.00074   2.09718
   A131       2.09146  -0.00010   0.00010   0.00012   0.00021   2.09167
   A132       2.07926  -0.00281  -0.00279  -0.02510  -0.02850   2.05076
   A133       1.94533   0.00073  -0.00124  -0.00459  -0.00657   1.93876
   A134       2.00160  -0.00038  -0.00148  -0.00511  -0.00738   1.99423
   A135       2.27152   0.00137  -0.00036  -0.00385  -0.00427   2.26725
   A136       1.87979  -0.00159   0.00057   0.00397   0.00448   1.88427
   A137       2.12724   0.00069  -0.00013   0.00157   0.00138   2.12862
   A138       2.02653   0.00012  -0.00060  -0.00762  -0.00822   2.01831
   A139       1.88823  -0.00461  -0.00068  -0.00293  -0.00364   1.88460
   A140       1.77490   0.00133   0.00052   0.00333   0.00384   1.77874
   A141       1.90486   0.00143  -0.00032  -0.00296  -0.00334   1.90153
   A142       1.97386   0.00062   0.00112   0.00878   0.00990   1.98376
   A143       1.98376   0.00158  -0.00082  -0.00655  -0.00740   1.97636
   A144       1.92517  -0.00047   0.00027   0.00091   0.00120   1.92636
   A145       2.25534  -0.00031   0.00039   0.00553   0.00583   2.26118
   A146       2.11657   0.00056  -0.00051  -0.00618  -0.00677   2.10980
   A147       1.90913  -0.00027  -0.00006  -0.00037  -0.00047   1.90866
   A148       2.01447   0.00039   0.00004  -0.00003   0.00003   2.01450
   A149       2.21191  -0.00018  -0.00014  -0.00131  -0.00146   2.21045
   A150       2.05678  -0.00021   0.00010   0.00132   0.00141   2.05819
   A151       1.95029  -0.00041  -0.00031  -0.00263  -0.00294   1.94735
   A152       1.97245   0.00021   0.00022   0.00206   0.00224   1.97469
   A153       2.18675  -0.00012  -0.00026  -0.00245  -0.00274   2.18402
   A154       2.12374  -0.00007   0.00004   0.00069   0.00070   2.12444
   A155       1.57821   0.00009   0.00011   0.00116   0.00129   1.57949
   A156       1.97160  -0.00176  -0.00034  -0.00564  -0.00599   1.96561
   A157       1.91562   0.00190  -0.00020   0.00148   0.00126   1.91688
   A158       1.85646  -0.00013   0.00045   0.00442   0.00484   1.86130
   A159       1.93770  -0.00065   0.00010  -0.00107  -0.00097   1.93673
   A160       1.88261   0.00126  -0.00056  -0.00497  -0.00551   1.87709
   A161       1.89642  -0.00060   0.00059   0.00640   0.00698   1.90339
   A162       1.95582  -0.00066  -0.00070  -0.00696  -0.00769   1.94813
   A163       1.96454  -0.00072  -0.00051  -0.00674  -0.00727   1.95728
   A164       1.94715  -0.00059   0.00082   0.00361   0.00441   1.95156
   A165       1.85847   0.00061   0.00067   0.00816   0.00880   1.86727
   A166       1.84301   0.00161  -0.00222  -0.01127  -0.01352   1.82949
   A167       1.88818  -0.00004   0.00193   0.01374   0.01566   1.90385
   A168       1.93310  -0.00006   0.00020   0.00286   0.00306   1.93616
   A169       1.96337   0.00005  -0.00024  -0.00304  -0.00328   1.96010
   A170       1.96094   0.00008   0.00007  -0.00043  -0.00036   1.96058
   A171       1.85011   0.00000  -0.00026  -0.00166  -0.00192   1.84818
   A172       1.86444  -0.00009   0.00011   0.00174   0.00185   1.86628
   A173       1.88575   0.00000   0.00012   0.00065   0.00077   1.88652
   A174       1.91559  -0.00004   0.00003   0.00010   0.00012   1.91571
   A175       2.24189  -0.00010  -0.00043  -0.00567  -0.00611   2.23578
   A176       2.12570   0.00014   0.00040   0.00554   0.00594   2.13164
   A177       1.58019   0.00006  -0.00001   0.00026   0.00025   1.58044
    D1        1.10846  -0.00003   0.00264   0.00673   0.00937   1.11784
    D2       -3.02307  -0.00002   0.00236   0.00388   0.00624  -3.01683
    D3       -0.97123  -0.00004   0.00249   0.00510   0.00759  -0.96364
    D4       -3.08957   0.00001   0.00243   0.00579   0.00821  -3.08135
    D5       -0.93792   0.00002   0.00215   0.00294   0.00508  -0.93283
    D6        1.11392   0.00000   0.00228   0.00416   0.00643   1.12035
    D7       -0.98319  -0.00005   0.00262   0.00630   0.00893  -0.97427
    D8        1.16846  -0.00004   0.00234   0.00345   0.00579   1.17425
    D9       -3.06289  -0.00006   0.00247   0.00467   0.00715  -3.05575
   D10        1.01341   0.00002   0.00192   0.00289   0.00481   1.01822
   D11        3.11978   0.00001   0.00180   0.00158   0.00338   3.12316
   D12       -1.07731   0.00002   0.00176   0.00182   0.00358  -1.07373
   D13       -1.13682   0.00001   0.00197   0.00390   0.00586  -1.13095
   D14        0.96955   0.00000   0.00184   0.00259   0.00443   0.97398
   D15        3.05565   0.00001   0.00181   0.00282   0.00463   3.06028
   D16        3.09447  -0.00006   0.00220   0.00499   0.00720   3.10167
   D17       -1.08234  -0.00007   0.00208   0.00368   0.00576  -1.07658
   D18        1.00375  -0.00005   0.00204   0.00392   0.00596   1.00971
   D19        2.04111  -0.00003   0.00243   0.01022   0.01265   2.05377
   D20       -1.10096  -0.00002   0.00169   0.00030   0.00199  -1.09897
   D21       -2.07629  -0.00001   0.00231   0.00874   0.01104  -2.06524
   D22        1.06482   0.00000   0.00157  -0.00119   0.00038   1.06520
   D23       -0.01827   0.00006   0.00212   0.00809   0.01021  -0.00806
   D24        3.12283   0.00007   0.00138  -0.00183  -0.00045   3.12238
   D25       -3.13863   0.00007  -0.00030  -0.00149  -0.00178  -3.14041
   D26        0.00341   0.00006   0.00039   0.00765   0.00804   0.01145
   D27        3.13746  -0.00001   0.00028   0.00064   0.00092   3.13838
   D28       -0.00455   0.00000  -0.00036  -0.00797  -0.00834  -0.01289
   D29        3.12811  -0.00006  -0.00041  -0.00175  -0.00216   3.12595
   D30       -0.00001  -0.00010  -0.00022  -0.00319  -0.00341  -0.00342
   D31        2.15341  -0.00008  -0.00134  -0.01528  -0.01662   2.13679
   D32       -1.96747  -0.00008  -0.00097  -0.01444  -0.01541  -1.98288
   D33        0.04535  -0.00001  -0.00140  -0.01633  -0.01772   0.02764
   D34       -1.00363  -0.00002  -0.00156  -0.01359  -0.01515  -1.01878
   D35        1.15868  -0.00002  -0.00118  -0.01275  -0.01394   1.14474
   D36       -3.11168   0.00004  -0.00161  -0.01464  -0.01625  -3.12793
   D37       -0.00343   0.00010  -0.00006  -0.00294  -0.00300  -0.00643
   D38       -3.13983   0.00003   0.00034   0.00324   0.00356  -3.13627
   D39       -3.12978   0.00004   0.00015  -0.00462  -0.00447  -3.13424
   D40        0.01701  -0.00003   0.00055   0.00155   0.00209   0.01909
   D41       -1.23910   0.00013   0.00033   0.00913   0.00944  -1.22966
   D42        1.30777   0.00020  -0.00265  -0.01466  -0.01729   1.29047
   D43        2.88489   0.00014   0.00042   0.01093   0.01133   2.89622
   D44       -0.85143   0.00021  -0.00256  -0.01287  -0.01540  -0.86684
   D45        0.88878   0.00009   0.00009   0.00771   0.00778   0.89655
   D46       -2.84755   0.00016  -0.00289  -0.01609  -0.01896  -2.86650
   D47       -1.14034  -0.00013  -0.00082  -0.01664  -0.01745  -1.15779
   D48        3.07720  -0.00011  -0.00081  -0.01658  -0.01739   3.05981
   D49        0.97161  -0.00025  -0.00066  -0.01634  -0.01700   0.95460
   D50        2.55686   0.00017   0.00196   0.00658   0.00853   2.56539
   D51        0.49121   0.00018   0.00196   0.00664   0.00860   0.49981
   D52       -1.61438   0.00005   0.00211   0.00688   0.00898  -1.60540
   D53       -2.84757  -0.00006   0.00410   0.02673   0.03080  -2.81677
   D54        0.32307   0.00005   0.00757   0.06532   0.07292   0.39600
   D55       -0.30750   0.00005   0.00101   0.00158   0.00256  -0.30494
   D56        2.86315   0.00016   0.00448   0.04017   0.04468   2.90783
   D57        2.81869  -0.00020   0.00099   0.00057   0.00159   2.82028
   D58        0.32035   0.00026  -0.00099  -0.00181  -0.00276   0.31760
   D59       -0.29408  -0.00010   0.00444   0.03878   0.04318  -0.25090
   D60       -2.79242   0.00036   0.00246   0.03641   0.03883  -2.75359
   D61       -1.65642  -0.00061   0.01048   0.07228   0.08274  -1.57369
   D62        2.50070   0.00143   0.01047   0.07072   0.08119   2.58188
   D63        0.44023   0.00046   0.01060   0.06995   0.08056   0.52080
   D64        0.87760  -0.00119   0.01227   0.07257   0.08483   0.96243
   D65       -1.24847   0.00085   0.01227   0.07101   0.08328  -1.16518
   D66        2.97426  -0.00012   0.01239   0.07025   0.08266   3.05691
   D67       -0.59324   0.00030   0.00389   0.05376   0.05761  -0.53563
   D68        2.53380   0.00249   0.00644   0.07828   0.08475   2.61854
   D69        1.51495  -0.00074   0.00366   0.04813   0.05176   1.56671
   D70       -1.64121   0.00145   0.00621   0.07265   0.07890  -1.56230
   D71       -2.67209   0.00004   0.00309   0.04885   0.05192  -2.62017
   D72        0.45494   0.00223   0.00565   0.07338   0.07906   0.53400
   D73        1.06677  -0.00012  -0.00409  -0.02678  -0.03089   1.03589
   D74       -3.04376  -0.00080  -0.00436  -0.03116  -0.03553  -3.07929
   D75       -0.99525  -0.00060  -0.00351  -0.02037  -0.02388  -1.01913
   D76       -1.03763   0.00193  -0.00484  -0.02833  -0.03317  -1.07080
   D77        1.13502   0.00126  -0.00510  -0.03271  -0.03781   1.09721
   D78       -3.09966   0.00146  -0.00425  -0.02192  -0.02616  -3.12582
   D79        3.12991   0.00061  -0.00394  -0.02404  -0.02798   3.10193
   D80       -0.98062  -0.00007  -0.00420  -0.02842  -0.03262  -1.01325
   D81        1.06789   0.00013  -0.00336  -0.01763  -0.02098   1.04691
   D82        3.12849  -0.00269  -0.00169  -0.00646  -0.00810   3.12039
   D83        0.12430  -0.00042  -0.00831  -0.04607  -0.05435   0.06995
   D84       -0.02744  -0.00053   0.00084   0.01776   0.01856  -0.00888
   D85       -3.03163   0.00174  -0.00578  -0.02185  -0.02769  -3.05932
   D86        2.56763   0.00157   0.00266   0.02450   0.02717   2.59479
   D87       -1.54420   0.00452   0.00279   0.02794   0.03073  -1.51346
   D88        0.52699   0.00077   0.00289   0.02539   0.02827   0.55527
   D89       -0.70524  -0.00051   0.00899   0.06235   0.07135  -0.63388
   D90        1.46613   0.00244   0.00912   0.06579   0.07492   1.54105
   D91       -2.74587  -0.00130   0.00922   0.06324   0.07246  -2.67341
   D92        1.05915  -0.00077  -0.00140  -0.00405  -0.00545   1.05370
   D93       -1.09398  -0.00068  -0.00182  -0.00759  -0.00941  -1.10338
   D94       -3.07068  -0.00064  -0.00195  -0.00818  -0.01012  -3.08080
   D95       -1.09917   0.00071  -0.00147  -0.00506  -0.00654  -1.10571
   D96        3.03088   0.00080  -0.00190  -0.00860  -0.01049   3.02039
   D97        1.05418   0.00084  -0.00202  -0.00919  -0.01121   1.04297
   D98        3.09656  -0.00015  -0.00088   0.00095   0.00007   3.09663
   D99        0.94343  -0.00006  -0.00130  -0.00258  -0.00389   0.93954
   D100      -1.03328  -0.00002  -0.00143  -0.00317  -0.00460  -1.03788
   D101       1.27398  -0.00523   0.00575   0.02543   0.03118   1.30516
   D102      -0.84892  -0.00244   0.00494   0.01889   0.02383  -0.82509
   D103      -2.86630  -0.00417   0.00516   0.01851   0.02367  -2.84263
   D104      -2.86513  -0.00192   0.00595   0.02888   0.03483  -2.83030
   D105       1.29516   0.00087   0.00513   0.02234   0.02748   1.32264
   D106      -0.72222  -0.00086   0.00535   0.02197   0.02732  -0.69491
   D107      -0.78576  -0.00112   0.00514   0.02261   0.02775  -0.75800
   D108      -2.90865   0.00167   0.00433   0.01607   0.02040  -2.88825
   D109       1.35715  -0.00007   0.00455   0.01570   0.02024   1.37739
   D110      -1.64658   0.00005  -0.00166  -0.01000  -0.01166  -1.65825
   D111       1.50274   0.00008  -0.00179  -0.01059  -0.01238   1.49036
   D112       0.49465  -0.00003  -0.00119  -0.00601  -0.00720   0.48745
   D113      -2.63921   0.00000  -0.00132  -0.00660  -0.00791  -2.64713
   D114       2.49656  -0.00016  -0.00111  -0.00562  -0.00674   2.48982
   D115      -0.63731  -0.00013  -0.00124  -0.00621  -0.00745  -0.64476
   D116       3.13917   0.00001  -0.00010  -0.00058  -0.00068   3.13848
   D117      -0.01828   0.00002  -0.00031  -0.00272  -0.00303  -0.02132
   D118      -0.01007  -0.00001   0.00002   0.00000   0.00002  -0.01005
   D119       3.11566  -0.00001  -0.00019  -0.00214  -0.00232   3.11334
   D120      -3.13873  -0.00002   0.00015   0.00109   0.00124  -3.13750
   D121       0.00754   0.00001   0.00002   0.00016   0.00017   0.00771
   D122       0.01054   0.00001   0.00002   0.00050   0.00052   0.01107
   D123      -3.12637   0.00004  -0.00011  -0.00043  -0.00054  -3.12692
   D124       0.00198   0.00001  -0.00006  -0.00059  -0.00066   0.00132
   D125       3.13918   0.00001  -0.00014  -0.00154  -0.00168   3.13750
   D126      -3.12384   0.00000   0.00015   0.00154   0.00169  -3.12215
   D127       0.01337   0.00000   0.00007   0.00059   0.00066   0.01403
   D128       0.00570   0.00000   0.00006   0.00068   0.00074   0.00644
   D129      -3.14103  -0.00001   0.00001  -0.00027  -0.00026  -3.14130
   D130      -3.13150   0.00000   0.00014   0.00163   0.00177  -3.12973
   D131       0.00495  -0.00001   0.00009   0.00067   0.00076   0.00571
   D132      -0.00523   0.00000  -0.00001  -0.00018  -0.00019  -0.00542
   D133       3.13414  -0.00001  -0.00002  -0.00043  -0.00045   3.13369
   D134       3.14151   0.00000   0.00004   0.00078   0.00082  -3.14086
   D135      -0.00230   0.00000   0.00003   0.00053   0.00056  -0.00175
   D136      -0.00293   0.00000  -0.00003  -0.00042  -0.00044  -0.00337
   D137       3.13401  -0.00003   0.00010   0.00051   0.00062   3.13463
   D138       3.14089   0.00001  -0.00002  -0.00017  -0.00018   3.14070
   D139      -0.00536  -0.00002   0.00011   0.00076   0.00088  -0.00448
   D140      -1.69630   0.00040  -0.00167  -0.02377  -0.02532  -1.72162
   D141       2.60402  -0.00108  -0.00178  -0.03195  -0.03380   2.57022
   D142       0.39687  -0.00125  -0.00129  -0.02148  -0.02278   0.37409
   D143       0.44270  -0.00061  -0.00110  -0.01844  -0.01944   0.42325
   D144      -1.54016  -0.00209  -0.00120  -0.02663  -0.02792  -1.56808
   D145       2.53587  -0.00227  -0.00072  -0.01616  -0.01690   2.51897
   D146       2.45385   0.00120  -0.00148  -0.01835  -0.01973   2.43412
   D147       0.47100  -0.00028  -0.00158  -0.02654  -0.02821   0.44278
   D148      -1.73616  -0.00045  -0.00110  -0.01607  -0.01719  -1.75335
   D149       1.76432  -0.00351  -0.01601  -0.05934  -0.07529   1.68903
   D150      -2.41663   0.00383  -0.01393  -0.03570  -0.04966  -2.46629
   D151      -0.35757   0.00000  -0.01602  -0.05443  -0.07047  -0.42804
   D152      -1.14373  -0.00025   0.01055   0.08074   0.09127  -1.05246
   D153       2.96233  -0.00139   0.01093   0.09371   0.10463   3.06696
   D154       0.97324  -0.00032   0.01148   0.09445   0.10593   1.07917
   D155       3.10130  -0.00028   0.00843   0.06114   0.06963  -3.11226
   D156       0.92417  -0.00142   0.00880   0.07412   0.08299   1.00716
   D157      -1.06492  -0.00035   0.00935   0.07485   0.08428  -0.98063
   D158       1.06835   0.00051   0.01014   0.07118   0.08126   1.14961
   D159      -1.10877  -0.00063   0.01052   0.08416   0.09462  -1.01416
   D160      -3.09787   0.00044   0.01107   0.08490   0.09591  -3.00195
   D161       2.92432   0.00226  -0.00052   0.00603   0.00554   2.92986
   D162      -1.22402   0.00257  -0.00044   0.00868   0.00827  -1.21575
   D163       0.78285   0.00255  -0.00039   0.01036   0.01000   0.79285
   D164      -1.22614  -0.00244  -0.00210  -0.01837  -0.02049  -1.24663
   D165       0.90870  -0.00214  -0.00202  -0.01571  -0.01776   0.89095
   D166       2.91557  -0.00216  -0.00197  -0.01404  -0.01602   2.89954
   D167       0.81347  -0.00044  -0.00142  -0.00755  -0.00898   0.80449
   D168       2.94832  -0.00013  -0.00134  -0.00490  -0.00625   2.94207
   D169      -1.32800  -0.00015  -0.00128  -0.00322  -0.00451  -1.33252
   D170       1.28066  -0.00431  -0.00480  -0.05613  -0.06076   1.21990
   D171      -1.11254  -0.00128   0.00274  -0.01246  -0.00978  -1.12232
   D172      -0.87893  -0.00349  -0.00457  -0.04775  -0.05225  -0.93118
   D173       3.01106  -0.00046   0.00297  -0.00408  -0.00127   3.00979
   D174      -2.96663  -0.00371  -0.00525  -0.05728  -0.06244  -3.02907
   D175       0.92336  -0.00068   0.00228  -0.01362  -0.01145   0.91190
   D176       1.65634   0.00035  -0.00129   0.01245   0.01116   1.66749
   D177      -1.48726   0.00031  -0.00132   0.01200   0.01069  -1.47658
   D178      -0.48397  -0.00002  -0.00162   0.00904   0.00742  -0.47655
   D179       2.65561  -0.00005  -0.00164   0.00859   0.00695   2.66256
   D180      -2.49023  -0.00015  -0.00129   0.00917   0.00788  -2.48235
   D181       0.64936  -0.00019  -0.00131   0.00872   0.00741   0.65677
   D182       3.13590  -0.00001  -0.00020  -0.00225  -0.00245   3.13344
   D183      -0.01288  -0.00002  -0.00024  -0.00323  -0.00347  -0.01635
   D184      -0.00370   0.00003  -0.00018  -0.00180  -0.00199  -0.00569
   D185       3.13071   0.00002  -0.00021  -0.00279  -0.00300   3.12770
   D186      -3.13574   0.00001   0.00015   0.00165   0.00179  -3.13395
   D187       0.00666   0.00002   0.00027   0.00250   0.00277   0.00944
   D188       0.00384  -0.00003   0.00013   0.00120   0.00133   0.00517
   D189      -3.13694  -0.00002   0.00025   0.00206   0.00231  -3.13463
   D190       0.00074  -0.00002   0.00010   0.00116   0.00126   0.00200
   D191       3.14111  -0.00002   0.00012   0.00117   0.00129  -3.14078
   D192      -3.13360  -0.00001   0.00014   0.00214   0.00228  -3.13133
   D193       0.00676  -0.00001   0.00015   0.00215   0.00231   0.00907
   D194       0.00209   0.00000   0.00003   0.00010   0.00013   0.00222
   D195      -3.14068   0.00000   0.00006   0.00039   0.00044  -3.14024
   D196      -3.13828   0.00000   0.00001   0.00009   0.00010  -3.13818
   D197       0.00214   0.00000   0.00004   0.00038   0.00042   0.00255
   D198      -0.00195   0.00001  -0.00008  -0.00071  -0.00079  -0.00274
   D199       3.13934   0.00001  -0.00011  -0.00082  -0.00093   3.13840
   D200       3.14082   0.00001  -0.00011  -0.00099  -0.00111   3.13972
   D201      -0.00108   0.00000  -0.00014  -0.00111  -0.00125  -0.00233
   D202      -0.00102   0.00001   0.00000   0.00005   0.00006  -0.00097
   D203       3.13976   0.00000  -0.00012  -0.00080  -0.00092   3.13883
   D204       3.14088   0.00001   0.00003   0.00017   0.00020   3.14108
   D205      -0.00153   0.00000  -0.00009  -0.00068  -0.00078  -0.00230
   D206       0.69961  -0.00058   0.01509   0.07397   0.08895   0.78856
   D207      -2.54588   0.00460   0.01601   0.09297   0.10884  -2.43704
   D208       3.07003  -0.00330   0.00739   0.02880   0.03632   3.10635
   D209      -0.17546   0.00187   0.00831   0.04780   0.05621  -0.11925
   D210       3.08656  -0.00768  -0.00221  -0.03041  -0.03265   3.05392
   D211      -0.14853  -0.00297  -0.00140  -0.01372  -0.01509  -0.16362
   D212      -1.43912  -0.00048   0.01236   0.08596   0.09831  -1.34081
   D213       2.76161   0.00011   0.01113   0.07560   0.08673   2.84834
   D214       0.72748  -0.00059   0.01070   0.07413   0.08484   0.81233
   D215      -1.27773   0.00003  -0.01319  -0.06291  -0.07608  -1.35381
   D216       1.78575  -0.00041  -0.01692  -0.08162  -0.09851   1.68723
   D217       0.67426  -0.00077  -0.01238  -0.05601  -0.06839   0.60587
   D218      -2.54545  -0.00121  -0.01611  -0.07473  -0.09082  -2.63627
   D219       2.88692   0.00047  -0.01175  -0.05278  -0.06455   2.82236
   D220      -0.33279   0.00003  -0.01547  -0.07149  -0.08698  -0.41978
   D221       3.08330  -0.00061  -0.00330  -0.01892  -0.02228   3.06102
   D222      -0.05011  -0.00051  -0.00258  -0.01726  -0.01989  -0.07000
   D223       0.01247  -0.00024   0.00010  -0.00171  -0.00161   0.01086
   D224      -3.12094  -0.00015   0.00081  -0.00006   0.00078  -3.12016
   D225      -3.09457   0.00081   0.00310   0.02085   0.02384  -3.07072
   D226      -0.01711   0.00044   0.00005   0.00579   0.00586  -0.01125
   D227       0.00184  -0.00018  -0.00026  -0.00526  -0.00551  -0.00368
   D228       3.13601  -0.00026  -0.00091  -0.00677  -0.00769   3.12832
   D229      -0.01540   0.00052   0.00029   0.00968   0.00999  -0.00541
   D230      -3.13352  -0.00004   0.00039  -0.00521  -0.00481  -3.13833
   D231       0.01919  -0.00055  -0.00020  -0.00913  -0.00936   0.00983
   D232       3.13827  -0.00003  -0.00030   0.00510   0.00482  -3.14010
   D233      -1.14202   0.00092  -0.00257  -0.00701  -0.00959  -1.15160
   D234       0.95221   0.00072  -0.00257  -0.00620  -0.00876   0.94344
   D235       3.07872  -0.00029   0.00016   0.00948   0.00963   3.08836
   D236       2.98063   0.00022  -0.00213  -0.00393  -0.00607   2.97456
   D237      -1.20834   0.00002  -0.00213  -0.00311  -0.00524  -1.21358
   D238       0.91818  -0.00099   0.00060   0.01256   0.01315   0.93133
   D239       0.90468   0.00055  -0.00257  -0.00804  -0.01060   0.89407
   D240       2.99890   0.00035  -0.00257  -0.00723  -0.00978   2.98912
   D241      -1.15777  -0.00066   0.00016   0.00845   0.00861  -1.14915
   D242       2.98506   0.00059   0.00115   0.02711   0.02828   3.01334
   D243      -1.23116   0.00058   0.00080   0.02496   0.02576  -1.20540
   D244       0.90154   0.00069   0.00083   0.02323   0.02406   0.92560
   D245      -1.10595  -0.00075   0.00064   0.02015   0.02079  -1.08516
   D246       0.96101  -0.00075   0.00029   0.01799   0.01828   0.97929
   D247       3.09371  -0.00065   0.00032   0.01626   0.01658   3.11030
   D248       0.96168   0.00004   0.00039   0.01740   0.01779   0.97947
   D249       3.02864   0.00003   0.00003   0.01525   0.01528   3.04392
   D250      -1.12185   0.00014   0.00007   0.01352   0.01358  -1.10826
   D251       0.00434  -0.00005   0.00023   0.00588   0.00611   0.01044
   D252       3.14115   0.00001  -0.00014   0.00015  -0.00003   3.14112
         Item               Value     Threshold  Converged?
 Maximum Force            0.011290     0.000450     NO 
 RMS     Force            0.001466     0.000300     NO 
 Maximum Displacement     2.531731     0.001800     NO 
 RMS     Displacement     0.404873     0.001200     NO 
 Predicted change in Energy=-1.609565D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        9.391040   -2.210593   -1.821676
      2          6           0        9.187840   -1.416385   -0.527693
      3          6           0       10.204113   -0.278893   -0.392735
      4          6           0        7.793619   -0.876275   -0.462604
      5          7           0        6.885484   -1.168336    0.439141
      6          6           0        5.663925   -0.484647    0.212530
      7          6           0        4.540091   -0.758882    1.174885
      8          7           0        4.019220    0.447561    1.858934
      9          6           0        4.960209    1.023990    2.855868
     10          6           0        3.208157    1.392733    1.175979
     11          8           0        3.048173    2.532640    1.598415
     12          7           0        2.513416    0.939937    0.024947
     13          6           0        1.371635    1.753110   -0.443078
     14          6           0        0.077749    1.258611    0.237749
     15          8           0       -0.100675    0.093144    0.573320
     16          7           0       -0.898478    2.224767    0.438866
     17          6           0       -2.215687    1.901552    1.059995
     18          6           0       -2.731105    3.123501    1.848143
     19          6           0       -2.939512    4.354538    1.008017
     20          6           0       -1.927598    5.325086    0.918245
     21          6           0       -2.117093    6.467067    0.136019
     22          6           0       -3.315673    6.652148   -0.561267
     23          6           0       -4.328464    5.692694   -0.466687
     24          6           0       -4.144721    4.548807    0.315472
     25          6           0       -3.228626    1.420838   -0.012645
     26          6           0       -2.923485   -0.014317   -0.473566
     27          8           0       -2.188142    0.033830   -1.716976
     28          6           0       -4.175100   -0.853125   -0.860382
     29          6           0       -5.145031   -1.004266    0.324331
     30          6           0       -6.475752   -1.553521   -0.115554
     31          6           0       -6.731041   -2.930343   -0.023317
     32          6           0       -7.968899   -3.441267   -0.421848
     33          6           0       -8.957528   -2.583819   -0.916364
     34          6           0       -8.703177   -1.211892   -1.013803
     35          6           0       -7.467229   -0.695030   -0.616158
     36          7           0       -3.683057   -2.164426   -1.376649
     37          6           0       -3.108427   -3.043195   -0.458804
     38          8           0       -3.483577   -3.366848    0.649511
     39          8           0       -2.000262   -3.635964   -1.066138
     40          6           0       -1.200795   -4.507602   -0.209197
     41          6           0       -0.376087   -3.651379    0.670303
     42          6           0        0.776658   -2.961088    0.387555
     43          7           0        1.266532   -2.150048    1.429263
     44          6           0        0.495634   -2.214202    2.497226
     45         16           0       -0.891869   -3.273754    2.285416
     46          6           0        1.273992    1.642690   -1.993379
     47          6           0        1.077641    0.205639   -2.468340
     48          6           0        0.152714    2.547774   -2.508684
     49          6           0        5.650329    0.340792   -0.876150
     50         16           0        7.194621    0.298588   -1.663128
     51          1           0       10.364568   -2.714530   -1.819920
     52          1           0        8.622958   -2.984699   -1.941956
     53          1           0        9.358141   -1.572313   -2.712416
     54          1           0        9.323928   -2.117025    0.345979
     55          1           0       10.158610    0.424808   -1.232306
     56          1           0       10.040349    0.296682    0.527206
     57          1           0       11.227304   -0.671474   -0.356243
     58          1           0        3.711176   -1.285866    0.639567
     59          1           0        4.889689   -1.474507    1.964108
     60          1           0        5.080506    0.310627    3.687355
     61          1           0        4.546422    1.966374    3.266787
     62          1           0        5.951130    1.244569    2.426623
     63          1           0        2.383719   -0.069935   -0.113680
     64          1           0        1.557447    2.834138   -0.172889
     65          1           0       -0.778654    3.175013    0.096912
     66          1           0       -2.053506    1.060142    1.801294
     67          1           0       -2.024322    3.341719    2.679625
     68          1           0       -3.679155    2.843931    2.354257
     69          1           0       -0.997353    5.198705    1.472315
     70          1           0       -1.329897    7.217628    0.073771
     71          1           0       -3.460567    7.542171   -1.169897
     72          1           0       -5.265576    5.837745   -1.002597
     73          1           0       -4.942005    3.812015    0.387030
     74          1           0       -3.223145    2.098564   -0.892036
     75          1           0       -4.255430    1.482834    0.394901
     76          1           0       -2.311970   -0.558505    0.289750
     77          1           0       -1.207706   -0.047895   -1.533509
     78          1           0       -4.699914   -0.365137   -1.730378
     79          1           0       -4.702643   -1.666099    1.109889
     80          1           0       -5.282698   -0.023263    0.824885
     81          1           0       -5.953988   -3.598962    0.354185
     82          1           0       -8.163458   -4.509718   -0.348102
     83          1           0       -9.920444   -2.983369   -1.224706
     84          1           0       -9.469987   -0.543728   -1.401048
     85          1           0       -7.275809    0.371517   -0.697120
     86          1           0       -3.135722   -2.040423   -2.247277
     87          1           0       -0.611394   -5.080216   -0.951786
     88          1           0       -1.879636   -5.184308    0.350001
     89          1           0        1.327871   -2.975526   -0.547799
     90          1           0        0.665720   -1.676892    3.421643
     91          1           0        2.256113    2.004504   -2.404555
     92          1           0        1.955714   -0.415789   -2.250547
     93          1           0        0.208821   -0.279895   -1.981885
     94          1           0        0.957097    0.149146   -3.555386
     95          1           0        0.151631    2.584975   -3.605961
     96          1           0       -0.844873    2.183684   -2.218391
     97          1           0        0.254552    3.578930   -2.154791
     98          1           0        4.840497    0.956621   -1.234381
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0774251      0.0285184      0.0232091
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3635.3863024101 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.245080605657     A.U. after   27 cycles
             Convg  =    0.7735D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000088289    0.000228567   -0.000279288
      2        6          -0.000203353   -0.000343123   -0.000020150
      3        6           0.000246457    0.000082775   -0.000202632
      4        6          -0.000207299    0.000624228   -0.001057330
      5        7           0.001195138    0.000082768    0.001289436
      6        6          -0.000390794   -0.001109246   -0.000516443
      7        6           0.000411312    0.000572503    0.001453210
      8        7           0.002848123   -0.000821044    0.000037250
      9        6           0.000921538   -0.000588733   -0.001090747
     10        6          -0.004642396    0.003333881   -0.004465797
     11        8           0.001874284   -0.001113136   -0.000036096
     12        7           0.002698778   -0.002769812    0.004730239
     13        6          -0.000401970    0.000196397    0.000236048
     14        6          -0.001105777   -0.000175708   -0.000962930
     15        8          -0.000450198   -0.004087426    0.000432219
     16        7          -0.003476016    0.001183569   -0.002486127
     17        6          -0.001047871    0.001589319    0.004309472
     18        6          -0.000329573   -0.001908721    0.000021231
     19        6           0.000367600   -0.000190049   -0.000385559
     20        6          -0.000479462    0.000470677   -0.000224187
     21        6          -0.000445744   -0.000074545    0.000127388
     22        6           0.000290473    0.000370128   -0.000194295
     23        6           0.000159661    0.000273537   -0.000092588
     24        6           0.000212829   -0.000020153    0.000117796
     25        6           0.003321845    0.003221966    0.000672024
     26        6           0.002358092   -0.002088138   -0.003961690
     27        8           0.001053457   -0.000221973   -0.002040192
     28        6          -0.002861639   -0.003582970   -0.002990287
     29        6          -0.001050337   -0.000770912    0.001092020
     30        6           0.000061571   -0.000213908    0.000347302
     31        6          -0.000127234   -0.000034666   -0.000048695
     32        6           0.000466698   -0.000289776   -0.000277875
     33        6           0.000245001   -0.000129419   -0.000214619
     34        6          -0.000215703    0.000199853    0.000152353
     35        6           0.000534188    0.000469723   -0.000127158
     36        7          -0.001225647   -0.005306962    0.003022908
     37        6          -0.001006948    0.009739378   -0.000659473
     38        8           0.001274118    0.000438809    0.000265054
     39        8          -0.000658412    0.001916739    0.001149159
     40        6           0.000615295    0.000884384   -0.001897635
     41        6           0.002129278   -0.001308485    0.002144355
     42        6          -0.001907189   -0.000033865    0.001195378
     43        7          -0.000277966    0.004758137   -0.000190920
     44        6           0.005712837   -0.001217692    0.001220554
     45       16          -0.003639974   -0.000263844   -0.000107547
     46        6           0.000608541   -0.002068970   -0.000046810
     47        6          -0.000595967    0.004511708    0.001117159
     48        6           0.000310171   -0.000430874    0.000820317
     49        6          -0.000633932    0.000337235   -0.000837694
     50       16           0.000227785   -0.000109350    0.000808730
     51        1           0.000176879    0.000027200    0.000120596
     52        1          -0.000090265    0.000026380    0.000070437
     53        1          -0.000038950   -0.000027076   -0.000019296
     54        1           0.000057787   -0.000085132    0.000363314
     55        1           0.000047318    0.000011044    0.000072718
     56        1           0.000115976    0.000009673    0.000010728
     57        1          -0.000005425    0.000019092   -0.000040456
     58        1          -0.001372710    0.000354460   -0.001259568
     59        1          -0.001168147    0.000169876   -0.000234318
     60        1          -0.000062011   -0.000059106    0.000106808
     61        1           0.000003194    0.000259817    0.000069516
     62        1           0.000007929    0.000204017   -0.000181614
     63        1          -0.002200666    0.002252621   -0.001879836
     64        1           0.000765461    0.001555317   -0.000418233
     65        1           0.000123570   -0.000761050   -0.000067794
     66        1           0.001408521   -0.001752759    0.001327562
     67        1           0.000121180   -0.000187626    0.000291367
     68        1          -0.000064330    0.000005278   -0.000439453
     69        1          -0.000189958   -0.000209239    0.000135593
     70        1           0.000012039   -0.000005121    0.000043466
     71        1          -0.000050469   -0.000080385    0.000040571
     72        1          -0.000064956    0.000010440    0.000019090
     73        1           0.000076274   -0.000051358   -0.000121538
     74        1           0.000576292    0.000845760    0.000112300
     75        1          -0.000421895    0.000153878   -0.000430604
     76        1           0.001385608   -0.000721719   -0.000259717
     77        1          -0.001046427   -0.000586511   -0.000032554
     78        1          -0.000126991    0.000618666   -0.000883007
     79        1           0.000009806   -0.000377685   -0.000016241
     80        1           0.000375123   -0.000458685    0.000158291
     81        1           0.000275010    0.000097857   -0.000013566
     82        1           0.000089415    0.000083654    0.000029544
     83        1          -0.000062422   -0.000076831    0.000047832
     84        1          -0.000004782    0.000035869    0.000009774
     85        1          -0.000100023   -0.000058207   -0.000001698
     86        1          -0.000089274   -0.001071698    0.001740395
     87        1           0.000245765   -0.000586109    0.000057016
     88        1           0.000149278    0.000014663    0.000892984
     89        1          -0.000555154    0.000380592   -0.000436011
     90        1           0.000674957   -0.000390178   -0.000568352
     91        1          -0.000932453   -0.000907955   -0.001251881
     92        1          -0.000444566    0.001056818   -0.001004288
     93        1           0.001569791   -0.001591456    0.001788039
     94        1          -0.002603226   -0.002104355   -0.000332265
     95        1           0.000300694    0.000123231   -0.000139250
     96        1           0.000251807   -0.000182084    0.000693996
     97        1           0.000068739   -0.000016199    0.000385131
     98        1           0.000131302   -0.000180463    0.000097634
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.009739378 RMS     0.001432434

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.026830729 RMS     0.003253356
 Search for a local minimum.
 Step number  43 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   40   39   41   43   42
 DE=  5.06D-03 DEPred=-1.61D-03 R=-3.14D+00
 Trust test=-3.14D+00 RLast= 5.76D-01 DXMaxT set to 4.43D-01
 Use linear search instead of GDIIS.
 Quartic linear search produced a step of -0.82018.
 Iteration  1 RMS(Cart)=  0.25421247 RMS(Int)=  0.00830363
 Iteration  2 RMS(Cart)=  0.08143968 RMS(Int)=  0.00063200
 Iteration  3 RMS(Cart)=  0.00195499 RMS(Int)=  0.00000960
 Iteration  4 RMS(Cart)=  0.00000117 RMS(Int)=  0.00000960
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000960
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89471  -0.00010   0.00011   0.00000   0.00011   2.89482
    R2        2.07157   0.00017   0.00000   0.00000   0.00000   2.07157
    R3        2.07324   0.00011   0.00022   0.00000   0.00022   2.07347
    R4        2.07173   0.00000   0.00038   0.00000   0.00038   2.07211
    R5        2.89376   0.00038   0.00020   0.00000   0.00020   2.89396
    R6        2.82816   0.00015   0.00059   0.00000   0.00059   2.82875
    R7        2.13189  -0.00022  -0.00021   0.00000  -0.00021   2.13168
    R8        2.07194   0.00003   0.00019   0.00000   0.00019   2.07213
    R9        2.07388  -0.00002  -0.00012   0.00000  -0.00012   2.07376
   R10        2.07214   0.00000   0.00007   0.00000   0.00007   2.07221
   R11        2.48062  -0.00064  -0.00080   0.00000  -0.00080   2.47982
   R12        3.37005   0.00023   0.00100   0.00000   0.00100   3.37105
   R13        2.67981   0.00108   0.00185   0.00000   0.00185   2.68166
   R14        2.84360   0.00046   0.00011   0.00000   0.00011   2.84372
   R15        2.58192  -0.00029  -0.00126   0.00000  -0.00126   2.58066
   R16        2.79956   0.00007   0.00110   0.00000   0.00110   2.80066
   R17        2.11394   0.00029  -0.00164   0.00000  -0.00164   2.11230
   R18        2.11886   0.00025   0.00057   0.00000   0.00057   2.11944
   R19        2.81030   0.00131   0.00001   0.00000   0.00001   2.81031
   R20        2.68421   0.00025  -0.00159   0.00000  -0.00159   2.68262
   R21        2.08276  -0.00008   0.00004   0.00000   0.00004   2.08280
   R22        2.09424  -0.00022  -0.00046   0.00000  -0.00046   2.09378
   R23        2.08284  -0.00005   0.00005   0.00000   0.00005   2.08289
   R24        2.31708   0.00101   0.00043   0.00000   0.00043   2.31751
   R25        2.68086   0.00506   0.00462   0.00000   0.00462   2.68548
   R26        2.79268   0.00098   0.00603   0.00000   0.00603   2.79872
   R27        1.94181   0.00135   0.00040   0.00000   0.00040   1.94220
   R28        2.91667  -0.00172  -0.00114   0.00000  -0.00114   2.91554
   R29        2.94286   0.00247   0.00187   0.00000   0.00187   2.94473
   R30        2.13476  -0.00027   0.00052   0.00000   0.00052   2.13528
   R31        2.31656  -0.00309   0.00173   0.00000   0.00173   2.31829
   R32        2.62320  -0.00404  -0.00200   0.00000  -0.00200   2.62120
   R33        2.81899  -0.00700  -0.00297   0.00000  -0.00297   2.81603
   R34        1.92182   0.00073   0.00179   0.00000   0.00179   1.92361
   R35        2.91532   0.00141   0.00258   0.00000   0.00258   2.91790
   R36        2.93224  -0.00581  -0.00893   0.00000  -0.00893   2.92331
   R37        2.14115  -0.00222  -0.00358   0.00000  -0.00358   2.13757
   R38        2.84383  -0.00054  -0.00115   0.00000  -0.00115   2.84269
   R39        2.10306  -0.00022  -0.00017   0.00000  -0.00017   2.10289
   R40        2.09846   0.00021  -0.00001   0.00000  -0.00001   2.09845
   R41        2.65504  -0.00078  -0.00107   0.00000  -0.00107   2.65398
   R42        2.65228  -0.00037   0.00006   0.00000   0.00006   2.65234
   R43        2.64015  -0.00016   0.00028   0.00000   0.00028   2.64042
   R44        2.05999  -0.00031  -0.00045   0.00000  -0.00045   2.05955
   R45        2.64363  -0.00046  -0.00070   0.00000  -0.00070   2.64292
   R46        2.05876   0.00000   0.00010   0.00000   0.00010   2.05885
   R47        2.64240  -0.00015   0.00025   0.00000   0.00025   2.64266
   R48        2.05587   0.00007   0.00018   0.00000   0.00018   2.05605
   R49        2.64157  -0.00034  -0.00053   0.00000  -0.00053   2.64104
   R50        2.05834   0.00004   0.00002   0.00000   0.00002   2.05837
   R51        2.05594  -0.00011  -0.00026   0.00000  -0.00026   2.05567
   R52        2.90627  -0.00127  -0.00518   0.00000  -0.00518   2.90108
   R53        2.09808  -0.00051   0.00155   0.00000   0.00155   2.09963
   R54        2.09092   0.00052   0.00118   0.00000   0.00118   2.09210
   R55        2.73137  -0.00136  -0.00016   0.00000  -0.00016   2.73120
   R56        2.93958   0.00317   0.00437   0.00000   0.00437   2.94395
   R57        2.11509  -0.00023  -0.00373   0.00000  -0.00373   2.11137
   R58        1.89123  -0.00120  -0.00232   0.00000  -0.00232   1.88891
   R59        2.90745  -0.00145  -0.00164   0.00000  -0.00164   2.90581
   R60        2.82079   0.01117   0.00386   0.00000   0.00386   2.82465
   R61        2.13000  -0.00090   0.00004   0.00000   0.00004   2.13004
   R62        2.84465  -0.00111  -0.00188   0.00000  -0.00188   2.84277
   R63        2.11348  -0.00036   0.00060   0.00000   0.00060   2.11409
   R64        2.09740   0.00016  -0.00110   0.00000  -0.00110   2.09630
   R65        2.65190  -0.00058  -0.00006   0.00000  -0.00006   2.65183
   R66        2.65279  -0.00056  -0.00093   0.00000  -0.00093   2.65185
   R67        2.64032  -0.00054  -0.00085   0.00000  -0.00085   2.63947
   R68        2.06437   0.00020   0.00003   0.00000   0.00003   2.06439
   R69        2.64369   0.00001   0.00035   0.00000   0.00035   2.64404
   R70        2.05701   0.00003   0.00006   0.00000   0.00006   2.05707
   R71        2.64317  -0.00034  -0.00060   0.00000  -0.00060   2.64257
   R72        2.05444   0.00009   0.00022   0.00000   0.00022   2.05466
   R73        2.64078   0.00000   0.00038   0.00000   0.00038   2.64116
   R74        2.05659  -0.00003   0.00000   0.00000   0.00000   2.05659
   R75        2.05339  -0.00001  -0.00007   0.00000  -0.00007   2.05332
   R76        2.63539   0.01345   0.00752   0.00000   0.00752   2.64291
   R77        1.95744   0.00150   0.00157   0.00000   0.00157   1.95901
   R78        2.29417  -0.00057  -0.00048   0.00000  -0.00048   2.29369
   R79        2.63768   0.00555   0.00140   0.00000   0.00140   2.63908
   R80        2.76007   0.00247  -0.00254   0.00000  -0.00254   2.75752
   R81        2.79448  -0.00104  -0.00087   0.00000  -0.00087   2.79361
   R82        2.09301  -0.00001   0.00236   0.00000   0.00236   2.09537
   R83        2.09705  -0.00027  -0.00099   0.00000  -0.00099   2.09606
   R84        2.59469  -0.00208  -0.00216   0.00000  -0.00217   2.59253
   R85        3.28248   0.00095   0.00241   0.00000   0.00241   3.28490
   R86        2.66104  -0.00115   0.00052   0.00000   0.00052   2.66156
   R87        2.05184  -0.00075   0.00049   0.00000   0.00049   2.05233
   R88        2.49196  -0.00274  -0.00338   0.00000  -0.00337   2.48859
   R89        3.32327   0.00517   0.00648   0.00000   0.00648   3.32975
   R90        2.04595   0.00066   0.00070   0.00000   0.00070   2.04666
   R91        2.88408   0.00302   0.00492   0.00000   0.00492   2.88900
   R92        2.89195  -0.00005  -0.00015   0.00000  -0.00015   2.89180
   R93        2.12503  -0.00107  -0.00192   0.00000  -0.00192   2.12310
   R94        2.07407   0.00049   0.00265   0.00000   0.00265   2.07672
   R95        2.09345  -0.00230  -0.00310   0.00000  -0.00310   2.09034
   R96        2.06957   0.00072   0.00031   0.00000   0.00031   2.06988
   R97        2.07475  -0.00014  -0.00029   0.00000  -0.00029   2.07446
   R98        2.08043  -0.00035   0.00006   0.00000   0.00006   2.08048
   R99        2.06914  -0.00025  -0.00019   0.00000  -0.00019   2.06895
   R100       3.27635   0.00063   0.00263   0.00000   0.00263   3.27898
   R101       2.03828   0.00010   0.00056   0.00000   0.00056   2.03884
    A1        1.93349   0.00012   0.00016   0.00000   0.00016   1.93365
    A2        1.94504   0.00004   0.00016   0.00000   0.00016   1.94520
    A3        1.96113  -0.00008   0.00019   0.00000   0.00019   1.96132
    A4        1.87292  -0.00003   0.00059   0.00000   0.00059   1.87351
    A5        1.87087  -0.00004  -0.00047   0.00000  -0.00047   1.87040
    A6        1.87623  -0.00001  -0.00064   0.00000  -0.00064   1.87559
    A7        1.95147  -0.00003   0.00016   0.00000   0.00016   1.95163
    A8        1.92563  -0.00009  -0.00071   0.00000  -0.00071   1.92492
    A9        1.89251  -0.00011  -0.00138   0.00000  -0.00138   1.89112
   A10        1.92448   0.00024   0.00230   0.00000   0.00230   1.92678
   A11        1.88917  -0.00002  -0.00054   0.00000  -0.00054   1.88863
   A12        1.87846   0.00002   0.00009   0.00000   0.00009   1.87855
   A13        1.96246  -0.00002   0.00042   0.00000   0.00042   1.96288
   A14        1.94382   0.00016   0.00085   0.00000   0.00085   1.94466
   A15        1.93506  -0.00004  -0.00050   0.00000  -0.00050   1.93456
   A16        1.87452  -0.00002   0.00022   0.00000   0.00022   1.87474
   A17        1.86920  -0.00001  -0.00074   0.00000  -0.00074   1.86846
   A18        1.87456  -0.00008  -0.00031   0.00000  -0.00031   1.87425
   A19        2.20690   0.00021   0.00123   0.00000   0.00124   2.20814
   A20        2.11927  -0.00004  -0.00111   0.00000  -0.00110   2.11816
   A21        1.95697  -0.00018  -0.00009   0.00000  -0.00009   1.95688
   A22        1.95940   0.00046   0.00051   0.00000   0.00051   1.95990
   A23        2.04124   0.00080  -0.00231   0.00000  -0.00231   2.03893
   A24        2.01216  -0.00042  -0.00004   0.00000  -0.00004   2.01212
   A25        2.22971  -0.00038   0.00234   0.00000   0.00234   2.23205
   A26        1.99267  -0.00034  -0.00057   0.00000  -0.00057   1.99211
   A27        1.91051   0.00135   0.00269   0.00000   0.00269   1.91320
   A28        1.91092   0.00099   0.00235   0.00000   0.00235   1.91327
   A29        1.92204  -0.00123  -0.00203   0.00000  -0.00203   1.92001
   A30        1.88007  -0.00017  -0.00174   0.00000  -0.00174   1.87834
   A31        1.84128  -0.00064  -0.00078   0.00000  -0.00077   1.84051
   A32        1.98528   0.00139   0.00532   0.00000   0.00534   1.99062
   A33        2.11839  -0.00026   0.00484   0.00000   0.00486   2.12325
   A34        2.01053  -0.00076   0.00235   0.00000   0.00238   2.01291
   A35        1.90067  -0.00032   0.00018   0.00000   0.00018   1.90086
   A36        1.91975   0.00014  -0.00048   0.00000  -0.00048   1.91927
   A37        1.96640   0.00038  -0.00087   0.00000  -0.00087   1.96554
   A38        1.88747  -0.00004   0.00018   0.00000   0.00018   1.88766
   A39        1.90203  -0.00011   0.00005   0.00000   0.00005   1.90208
   A40        1.88589  -0.00007   0.00097   0.00000   0.00097   1.88686
   A41        2.12641  -0.00167  -0.00451   0.00000  -0.00447   2.12194
   A42        2.04582   0.00338   0.00690   0.00000   0.00694   2.05275
   A43        2.10873  -0.00155  -0.00087   0.00000  -0.00083   2.10790
   A44        2.04845  -0.00487  -0.00378   0.00000  -0.00378   2.04467
   A45        2.07710   0.00168   0.00315   0.00000   0.00315   2.08025
   A46        1.98290   0.00164  -0.00126   0.00000  -0.00126   1.98163
   A47        1.90890  -0.00516  -0.00398   0.00000  -0.00398   1.90492
   A48        1.90150   0.00504   0.00735   0.00000   0.00735   1.90884
   A49        1.90047  -0.00208  -0.00463   0.00000  -0.00463   1.89583
   A50        1.94319  -0.00009  -0.00275   0.00000  -0.00275   1.94045
   A51        1.91663   0.00259   0.00570   0.00000   0.00570   1.92233
   A52        1.89259  -0.00028  -0.00169   0.00000  -0.00169   1.89090
   A53        2.15001  -0.00470  -0.00732   0.00000  -0.00730   2.14271
   A54        2.01581   0.01308   0.00792   0.00000   0.00794   2.02375
   A55        2.11729  -0.00836  -0.00062   0.00000  -0.00060   2.11669
   A56        2.12999  -0.01573  -0.00796   0.00000  -0.00792   2.12207
   A57        2.11619   0.00818   0.00183   0.00000   0.00188   2.11807
   A58        2.03364   0.00766   0.00258   0.00000   0.00262   2.03626
   A59        1.91358   0.00110  -0.00209   0.00000  -0.00209   1.91149
   A60        1.93448   0.00352   0.00157   0.00000   0.00157   1.93605
   A61        1.88276  -0.00318  -0.00471   0.00000  -0.00471   1.87805
   A62        1.96108  -0.00349  -0.00199   0.00000  -0.00199   1.95909
   A63        1.87735   0.00148   0.00392   0.00000   0.00392   1.88128
   A64        1.89194   0.00046   0.00328   0.00000   0.00328   1.89522
   A65        1.99215   0.00103   0.00173   0.00000   0.00173   1.99388
   A66        1.90163  -0.00043  -0.00264   0.00000  -0.00264   1.89899
   A67        1.89512   0.00000   0.00145   0.00000   0.00145   1.89657
   A68        1.92266  -0.00045  -0.00188   0.00000  -0.00188   1.92079
   A69        1.92001  -0.00033   0.00117   0.00000   0.00117   1.92118
   A70        1.82456   0.00011   0.00002   0.00000   0.00002   1.82458
   A71        2.09556  -0.00035  -0.00029   0.00000  -0.00029   2.09527
   A72        2.10320   0.00019   0.00002   0.00000   0.00002   2.10322
   A73        2.08440   0.00015   0.00027   0.00000   0.00027   2.08467
   A74        2.09755  -0.00003  -0.00012   0.00000  -0.00012   2.09743
   A75        2.09676   0.00003   0.00038   0.00000   0.00038   2.09715
   A76        2.08873   0.00000  -0.00023   0.00000  -0.00023   2.08850
   A77        2.09835   0.00003   0.00007   0.00000   0.00007   2.09842
   A78        2.09107   0.00000  -0.00032   0.00000  -0.00032   2.09075
   A79        2.09376  -0.00003   0.00025   0.00000   0.00025   2.09401
   A80        2.08986  -0.00008  -0.00006   0.00000  -0.00006   2.08980
   A81        2.09577   0.00012   0.00050   0.00000   0.00050   2.09627
   A82        2.09754  -0.00004  -0.00044   0.00000  -0.00044   2.09710
   A83        2.09917  -0.00001  -0.00003   0.00000  -0.00003   2.09915
   A84        2.09266   0.00006  -0.00010   0.00000  -0.00010   2.09256
   A85        2.09135  -0.00005   0.00012   0.00000   0.00012   2.09147
   A86        2.09698  -0.00007  -0.00013   0.00000  -0.00013   2.09685
   A87        2.09796   0.00004  -0.00008   0.00000  -0.00008   2.09788
   A88        2.08824   0.00003   0.00021   0.00000   0.00021   2.08844
   A89        1.94632   0.01183   0.00743   0.00000   0.00743   1.95375
   A90        1.93393  -0.00091  -0.00419   0.00000  -0.00419   1.92973
   A91        1.91116  -0.00648  -0.00131   0.00000  -0.00130   1.90985
   A92        1.90844  -0.00612  -0.00642   0.00000  -0.00643   1.90202
   A93        1.92495  -0.00121   0.00163   0.00000   0.00163   1.92658
   A94        1.83601   0.00222   0.00250   0.00000   0.00250   1.83852
   A95        1.90464  -0.00208  -0.01235   0.00000  -0.01235   1.89229
   A96        2.00213  -0.01038  -0.01722   0.00000  -0.01722   1.98491
   A97        1.93662   0.00555   0.00938   0.00000   0.00936   1.94598
   A98        1.78584   0.00726   0.00868   0.00000   0.00872   1.79456
   A99        1.90173  -0.00180   0.00009   0.00000   0.00010   1.90183
   A100       1.92518   0.00160   0.01109   0.00000   0.01109   1.93627
   A101       1.91556  -0.00018   0.00338   0.00000   0.00338   1.91894
   A102       1.94844  -0.00969  -0.00593   0.00000  -0.00591   1.94253
   A103       1.86971   0.01584   0.01904   0.00000   0.01903   1.88874
   A104       1.91040  -0.00022  -0.00398   0.00000  -0.00397   1.90643
   A105       1.96907  -0.00288   0.00129   0.00000   0.00130   1.97037
   A106       1.92127   0.00324  -0.00433   0.00000  -0.00432   1.91695
   A107       1.84092  -0.00576  -0.00590   0.00000  -0.00590   1.83502
   A108       1.94779  -0.00049  -0.00042   0.00000  -0.00042   1.94737
   A109       1.92796   0.00024  -0.00192   0.00000  -0.00192   1.92604
   A110       1.91626  -0.00031   0.00090   0.00000   0.00090   1.91716
   A111       1.91666   0.00005  -0.00046   0.00000  -0.00046   1.91619
   A112       1.92265   0.00050   0.00261   0.00000   0.00261   1.92526
   A113       1.82899   0.00005  -0.00069   0.00000  -0.00069   1.82829
   A114       2.09393  -0.00066  -0.00194   0.00000  -0.00194   2.09198
   A115       2.10068   0.00020   0.00109   0.00000   0.00109   2.10177
   A116       2.08858   0.00047   0.00085   0.00000   0.00085   2.08943
   A117       2.09578  -0.00023  -0.00056   0.00000  -0.00056   2.09522
   A118       2.08726  -0.00009  -0.00063   0.00000  -0.00063   2.08663
   A119       2.10012   0.00032   0.00119   0.00000   0.00119   2.10131
   A120       2.09761   0.00008   0.00016   0.00000   0.00016   2.09778
   A121       2.09205  -0.00016  -0.00021   0.00000  -0.00021   2.09184
   A122       2.09352   0.00008   0.00005   0.00000   0.00005   2.09357
   A123       2.09127  -0.00001   0.00008   0.00000   0.00008   2.09136
   A124       2.09545   0.00006  -0.00004   0.00000  -0.00004   2.09541
   A125       2.09646  -0.00005  -0.00004   0.00000  -0.00004   2.09642
   A126       2.09878  -0.00009  -0.00010   0.00000  -0.00010   2.09868
   A127       2.09308   0.00002   0.00014   0.00000   0.00014   2.09322
   A128       2.09133   0.00007  -0.00004   0.00000  -0.00004   2.09129
   A129       2.09433  -0.00022  -0.00044   0.00000  -0.00044   2.09390
   A130       2.09718   0.00022   0.00061   0.00000   0.00061   2.09779
   A131       2.09167  -0.00001  -0.00017   0.00000  -0.00017   2.09150
   A132       2.05076   0.02683   0.02337   0.00000   0.02346   2.07422
   A133       1.93876  -0.00325   0.00539   0.00000   0.00549   1.94425
   A134       1.99423  -0.01273   0.00605   0.00000   0.00615   2.00038
   A135       2.26725   0.00386   0.00350   0.00000   0.00351   2.27076
   A136       1.88427  -0.00579  -0.00368   0.00000  -0.00367   1.88060
   A137       2.12862   0.00098  -0.00113   0.00000  -0.00113   2.12750
   A138       2.01831   0.01470   0.00674   0.00000   0.00674   2.02505
   A139       1.88460   0.01457   0.00298   0.00000   0.00299   1.88758
   A140       1.77874  -0.00355  -0.00315   0.00000  -0.00315   1.77559
   A141       1.90153  -0.00643   0.00274   0.00000   0.00274   1.90427
   A142       1.98376  -0.00903  -0.00812   0.00000  -0.00812   1.97564
   A143       1.97636   0.00335   0.00607   0.00000   0.00607   1.98243
   A144       1.92636   0.00077  -0.00098   0.00000  -0.00098   1.92538
   A145       2.26118  -0.00740  -0.00479   0.00000  -0.00477   2.25640
   A146       2.10980   0.00760   0.00555   0.00000   0.00556   2.11536
   A147       1.90866  -0.00005   0.00039   0.00000   0.00039   1.90905
   A148       2.01450   0.00180  -0.00003   0.00000  -0.00003   2.01447
   A149       2.21045  -0.00110   0.00120   0.00000   0.00120   2.21165
   A150       2.05819  -0.00067  -0.00116   0.00000  -0.00116   2.05703
   A151       1.94735  -0.00021   0.00241   0.00000   0.00241   1.94976
   A152       1.97469   0.00004  -0.00184   0.00000  -0.00183   1.97286
   A153       2.18402  -0.00066   0.00224   0.00000   0.00225   2.18627
   A154       2.12444   0.00062  -0.00058   0.00000  -0.00057   2.12387
   A155       1.57949  -0.00159  -0.00105   0.00000  -0.00106   1.57844
   A156       1.96561  -0.00083   0.00491   0.00000   0.00491   1.97053
   A157       1.91688   0.00290  -0.00103   0.00000  -0.00103   1.91585
   A158       1.86130  -0.00098  -0.00397   0.00000  -0.00396   1.85733
   A159       1.93673  -0.00170   0.00079   0.00000   0.00079   1.93753
   A160       1.87709   0.00163   0.00452   0.00000   0.00452   1.88161
   A161       1.90339  -0.00106  -0.00572   0.00000  -0.00572   1.89767
   A162       1.94813   0.00041   0.00630   0.00000   0.00631   1.95444
   A163       1.95728   0.00062   0.00596   0.00000   0.00596   1.96324
   A164       1.95156  -0.00115  -0.00362   0.00000  -0.00362   1.94794
   A165       1.86727  -0.00028  -0.00722   0.00000  -0.00722   1.86005
   A166       1.82949   0.00172   0.01109   0.00000   0.01109   1.84058
   A167       1.90385  -0.00126  -0.01285   0.00000  -0.01285   1.89100
   A168       1.93616  -0.00049  -0.00251   0.00000  -0.00251   1.93365
   A169       1.96010   0.00035   0.00269   0.00000   0.00269   1.96279
   A170       1.96058   0.00016   0.00029   0.00000   0.00029   1.96088
   A171       1.84818  -0.00008   0.00158   0.00000   0.00158   1.84976
   A172       1.86628  -0.00007  -0.00151   0.00000  -0.00151   1.86477
   A173       1.88652   0.00011  -0.00063   0.00000  -0.00063   1.88589
   A174       1.91571   0.00006  -0.00010   0.00000  -0.00010   1.91561
   A175       2.23578   0.00020   0.00501   0.00000   0.00501   2.24079
   A176       2.13164  -0.00026  -0.00487   0.00000  -0.00487   2.12677
   A177       1.58044   0.00008  -0.00021   0.00000  -0.00021   1.58024
    D1        1.11784  -0.00018  -0.00769   0.00000  -0.00769   1.11015
    D2       -3.01683   0.00004  -0.00512   0.00000  -0.00512  -3.02195
    D3       -0.96364  -0.00006  -0.00623   0.00000  -0.00623  -0.96987
    D4       -3.08135  -0.00011  -0.00674   0.00000  -0.00674  -3.08809
    D5       -0.93283   0.00011  -0.00417   0.00000  -0.00417  -0.93700
    D6        1.12035   0.00001  -0.00528   0.00000  -0.00528   1.11508
    D7       -0.97427  -0.00015  -0.00732   0.00000  -0.00732  -0.98159
    D8        1.17425   0.00007  -0.00475   0.00000  -0.00475   1.16950
    D9       -3.05575  -0.00003  -0.00586   0.00000  -0.00586  -3.06161
   D10        1.01822   0.00001  -0.00395   0.00000  -0.00395   1.01427
   D11        3.12316   0.00008  -0.00277   0.00000  -0.00277   3.12038
   D12       -1.07373   0.00006  -0.00294   0.00000  -0.00294  -1.07667
   D13       -1.13095  -0.00002  -0.00481   0.00000  -0.00481  -1.13576
   D14        0.97398   0.00005  -0.00363   0.00000  -0.00363   0.97035
   D15        3.06028   0.00003  -0.00380   0.00000  -0.00380   3.05648
   D16        3.10167  -0.00016  -0.00590   0.00000  -0.00590   3.09576
   D17       -1.07658  -0.00009  -0.00473   0.00000  -0.00473  -1.08131
   D18        1.00971  -0.00011  -0.00489   0.00000  -0.00489   1.00482
   D19        2.05377  -0.00018  -0.01038   0.00000  -0.01038   2.04339
   D20       -1.09897   0.00006  -0.00163   0.00000  -0.00163  -1.10061
   D21       -2.06524  -0.00012  -0.00906   0.00000  -0.00906  -2.07430
   D22        1.06520   0.00012  -0.00031   0.00000  -0.00031   1.06489
   D23       -0.00806   0.00000  -0.00837   0.00000  -0.00837  -0.01644
   D24        3.12238   0.00024   0.00037   0.00000   0.00037   3.12275
   D25       -3.14041  -0.00002   0.00146   0.00000   0.00146  -3.13895
   D26        0.01145  -0.00024  -0.00660   0.00000  -0.00660   0.00485
   D27        3.13838   0.00007  -0.00076   0.00000  -0.00076   3.13763
   D28       -0.01289   0.00028   0.00684   0.00000   0.00684  -0.00605
   D29        3.12595   0.00003   0.00177   0.00000   0.00177   3.12772
   D30       -0.00342   0.00006   0.00280   0.00000   0.00280  -0.00063
   D31        2.13679   0.00042   0.01363   0.00000   0.01363   2.15042
   D32       -1.98288  -0.00040   0.01264   0.00000   0.01264  -1.97024
   D33        0.02764   0.00014   0.01453   0.00000   0.01453   0.04217
   D34       -1.01878   0.00039   0.01243   0.00000   0.01243  -1.00635
   D35        1.14474  -0.00043   0.01143   0.00000   0.01144   1.15617
   D36       -3.12793   0.00011   0.01333   0.00000   0.01333  -3.11460
   D37       -0.00643   0.00015   0.00246   0.00000   0.00246  -0.00397
   D38       -3.13627  -0.00003  -0.00292   0.00000  -0.00292  -3.13919
   D39       -3.13424   0.00017   0.00366   0.00000   0.00366  -3.13058
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   D41       -1.22966  -0.00054  -0.00774   0.00000  -0.00774  -1.23740
   D42        1.29047  -0.00016   0.01418   0.00000   0.01418   1.30465
   D43        2.89622  -0.00112  -0.00929   0.00000  -0.00929   2.88693
   D44       -0.86684  -0.00073   0.01263   0.00000   0.01263  -0.85421
   D45        0.89655   0.00037  -0.00638   0.00000  -0.00637   0.89018
   D46       -2.86650   0.00076   0.01555   0.00000   0.01554  -2.85096
   D47       -1.15779   0.00023   0.01431   0.00000   0.01431  -1.14348
   D48        3.05981   0.00038   0.01426   0.00000   0.01426   3.07408
   D49        0.95460   0.00012   0.01394   0.00000   0.01394   0.96855
   D50        2.56539  -0.00026  -0.00700   0.00000  -0.00700   2.55839
   D51        0.49981  -0.00011  -0.00705   0.00000  -0.00705   0.49276
   D52       -1.60540  -0.00037  -0.00737   0.00000  -0.00737  -1.61277
   D53       -2.81677  -0.00088  -0.02527   0.00000  -0.02526  -2.84203
   D54        0.39600  -0.00316  -0.05981   0.00000  -0.05981   0.33618
   D55       -0.30494   0.00022  -0.00210   0.00000  -0.00210  -0.30703
   D56        2.90783  -0.00206  -0.03665   0.00000  -0.03665   2.87118
   D57        2.82028  -0.00104  -0.00131   0.00000  -0.00131   2.81897
   D58        0.31760   0.00092   0.00226   0.00000   0.00225   0.31985
   D59       -0.25090  -0.00329  -0.03542   0.00000  -0.03541  -0.28631
   D60       -2.75359  -0.00132  -0.03185   0.00000  -0.03184  -2.78544
   D61       -1.57369  -0.00040  -0.06786   0.00000  -0.06786  -1.64154
   D62        2.58188  -0.00023  -0.06659   0.00000  -0.06659   2.51529
   D63        0.52080  -0.00159  -0.06607   0.00000  -0.06608   0.45472
   D64        0.96243  -0.00209  -0.06958   0.00000  -0.06958   0.89286
   D65       -1.16518  -0.00192  -0.06831   0.00000  -0.06831  -1.23349
   D66        3.05691  -0.00327  -0.06779   0.00000  -0.06780   2.98912
   D67       -0.53563  -0.00398  -0.04725   0.00000  -0.04724  -0.58287
   D68        2.61854  -0.00573  -0.06951   0.00000  -0.06951   2.54903
   D69        1.56671  -0.00116  -0.04246   0.00000  -0.04245   1.52426
   D70       -1.56230  -0.00291  -0.06471   0.00000  -0.06472  -1.62702
   D71       -2.62017   0.00014  -0.04259   0.00000  -0.04258  -2.66275
   D72        0.53400  -0.00160  -0.06484   0.00000  -0.06485   0.46916
   D73        1.03589  -0.00031   0.02533   0.00000   0.02533   1.06122
   D74       -3.07929  -0.00094   0.02914   0.00000   0.02914  -3.05015
   D75       -1.01913  -0.00122   0.01959   0.00000   0.01958  -0.99955
   D76       -1.07080   0.00286   0.02721   0.00000   0.02721  -1.04360
   D77        1.09721   0.00222   0.03101   0.00000   0.03101   1.12822
   D78       -3.12582   0.00195   0.02146   0.00000   0.02146  -3.10437
   D79        3.10193  -0.00012   0.02295   0.00000   0.02295   3.12488
   D80       -1.01325  -0.00075   0.02676   0.00000   0.02676  -0.98649
   D81        1.04691  -0.00103   0.01720   0.00000   0.01720   1.06411
   D82        3.12039   0.00228   0.00664   0.00000   0.00664   3.12703
   D83        0.06995   0.00045   0.04457   0.00000   0.04457   0.11452
   D84       -0.00888   0.00054  -0.01522   0.00000  -0.01522  -0.02410
   D85       -3.05932  -0.00129   0.02271   0.00000   0.02272  -3.03660
   D86        2.59479  -0.00184  -0.02228   0.00000  -0.02228   2.57251
   D87       -1.51346  -0.00307  -0.02521   0.00000  -0.02521  -1.53867
   D88        0.55527  -0.00242  -0.02319   0.00000  -0.02319   0.53208
   D89       -0.63388   0.00000  -0.05852   0.00000  -0.05853  -0.69241
   D90        1.54105  -0.00122  -0.06145   0.00000  -0.06145   1.47960
   D91       -2.67341  -0.00057  -0.05943   0.00000  -0.05943  -2.73284
   D92        1.05370   0.00160   0.00447   0.00000   0.00447   1.05817
   D93       -1.10338   0.00179   0.00771   0.00000   0.00771  -1.09567
   D94       -3.08080   0.00188   0.00830   0.00000   0.00830  -3.07250
   D95       -1.10571  -0.00129   0.00536   0.00000   0.00536  -1.10035
   D96        3.02039  -0.00111   0.00861   0.00000   0.00861   3.02900
   D97        1.04297  -0.00101   0.00919   0.00000   0.00919   1.05216
   D98        3.09663  -0.00075  -0.00006   0.00000  -0.00005   3.09657
   D99        0.93954  -0.00057   0.00319   0.00000   0.00319   0.94273
   D100      -1.03788  -0.00048   0.00377   0.00000   0.00377  -1.03410
   D101       1.30516  -0.00341  -0.02558   0.00000  -0.02558   1.27958
   D102      -0.82509  -0.00316  -0.01955   0.00000  -0.01955  -0.84463
   D103      -2.84263  -0.00151  -0.01941   0.00000  -0.01941  -2.86205
   D104      -2.83030  -0.00190  -0.02857   0.00000  -0.02857  -2.85887
   D105       1.32264  -0.00165  -0.02254   0.00000  -0.02254   1.30010
   D106      -0.69491   0.00000  -0.02240   0.00000  -0.02240  -0.71731
   D107      -0.75800  -0.00187  -0.02276   0.00000  -0.02276  -0.78077
   D108      -2.88825  -0.00162  -0.01673   0.00000  -0.01673  -2.90498
   D109       1.37739   0.00003  -0.01660   0.00000  -0.01660   1.36079
   D110      -1.65825   0.00013   0.00957   0.00000   0.00957  -1.64868
   D111       1.49036   0.00019   0.01015   0.00000   0.01015   1.50051
   D112       0.48745  -0.00003   0.00590   0.00000   0.00590   0.49335
   D113      -2.64713   0.00003   0.00649   0.00000   0.00649  -2.64064
   D114       2.48982  -0.00035   0.00553   0.00000   0.00553   2.49535
   D115      -0.64476  -0.00029   0.00611   0.00000   0.00611  -0.63865
   D116       3.13848   0.00002   0.00056   0.00000   0.00056   3.13905
   D117      -0.02132   0.00006   0.00249   0.00000   0.00249  -0.01883
   D118      -0.01005  -0.00004  -0.00002   0.00000  -0.00002  -0.01007
   D119       3.11334   0.00000   0.00191   0.00000   0.00191   3.11524
   D120      -3.13750  -0.00004  -0.00102   0.00000  -0.00102  -3.13851
   D121       0.00771   0.00001  -0.00014   0.00000  -0.00014   0.00757
   D122       0.01107   0.00002  -0.00043   0.00000  -0.00043   0.01064
   D123      -3.12692   0.00007   0.00045   0.00000   0.00045  -3.12647
   D124       0.00132   0.00003   0.00054   0.00000   0.00054   0.00186
   D125       3.13750   0.00004   0.00138   0.00000   0.00138   3.13888
   D126      -3.12215  -0.00001  -0.00138   0.00000  -0.00138  -3.12353
   D127       0.01403   0.00000  -0.00054   0.00000  -0.00054   0.01349
   D128       0.00644  -0.00001  -0.00061   0.00000  -0.00061   0.00584
   D129      -3.14130   0.00000   0.00022   0.00000   0.00022  -3.14108
   D130      -3.12973  -0.00002  -0.00145   0.00000  -0.00145  -3.13118
   D131       0.00571  -0.00001  -0.00062   0.00000  -0.00062   0.00509
   D132      -0.00542  -0.00001   0.00016   0.00000   0.00016  -0.00526
   D133       3.13369  -0.00001   0.00037   0.00000   0.00037   3.13406
   D134      -3.14086  -0.00002  -0.00067   0.00000  -0.00067  -3.14153
   D135      -0.00175  -0.00002  -0.00046   0.00000  -0.00046  -0.00220
   D136      -0.00337   0.00001   0.00036   0.00000   0.00036  -0.00301
   D137       3.13463  -0.00005  -0.00051   0.00000  -0.00051   3.13412
   D138       3.14070   0.00001   0.00015   0.00000   0.00015   3.14085
   D139      -0.00448  -0.00004  -0.00072   0.00000  -0.00072  -0.00520
   D140      -1.72162  -0.00282   0.02077   0.00000   0.02075  -1.70087
   D141       2.57022  -0.00442   0.02772   0.00000   0.02773   2.59796
   D142       0.37409  -0.00293   0.01868   0.00000   0.01868   0.39277
   D143       0.42325  -0.00028   0.01595   0.00000   0.01593   0.43919
   D144      -1.56808  -0.00187   0.02290   0.00000   0.02291  -1.54517
   D145       2.51897  -0.00039   0.01386   0.00000   0.01386   2.53283
   D146       2.43412  -0.00179   0.01618   0.00000   0.01617   2.45029
   D147       0.44278  -0.00338   0.02314   0.00000   0.02315   0.46594
   D148      -1.75335  -0.00190   0.01410   0.00000   0.01410  -1.73925
   D149       1.68903   0.00448   0.06176   0.00000   0.06175   1.75077
   D150      -2.46629  -0.00459   0.04073   0.00000   0.04073  -2.42556
   D151      -0.42804   0.00007   0.05780   0.00000   0.05780  -0.37024
   D152      -1.05246  -0.00225  -0.07486   0.00000  -0.07485  -1.12731
   D153       3.06696  -0.00332  -0.08581   0.00000  -0.08581   2.98115
   D154       1.07917  -0.00476  -0.08688   0.00000  -0.08688   0.99229
   D155      -3.11226   0.00074  -0.05711   0.00000  -0.05712   3.11381
   D156       1.00716  -0.00033  -0.06807   0.00000  -0.06807   0.93909
   D157      -0.98063  -0.00176  -0.06913   0.00000  -0.06914  -1.04977
   D158       1.14961  -0.00162  -0.06664   0.00000  -0.06664   1.08297
   D159      -1.01416  -0.00269  -0.07760   0.00000  -0.07759  -1.09175
   D160      -3.00195  -0.00413  -0.07867   0.00000  -0.07866  -3.08061
   D161       2.92986  -0.00515  -0.00454   0.00000  -0.00454   2.92531
   D162      -1.21575  -0.00525  -0.00678   0.00000  -0.00679  -1.22254
   D163       0.79285  -0.00523  -0.00820   0.00000  -0.00821   0.78464
   D164      -1.24663   0.00632   0.01680   0.00000   0.01681  -1.22982
   D165       0.89095   0.00622   0.01456   0.00000   0.01457   0.90551
   D166       2.89954   0.00624   0.01314   0.00000   0.01314   2.91269
   D167       0.80449  -0.00057   0.00737   0.00000   0.00737   0.81186
   D168       2.94207  -0.00067   0.00512   0.00000   0.00513   2.94719
   D169      -1.33252  -0.00065   0.00370   0.00000   0.00370  -1.32881
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   D171      -1.12232  -0.00783   0.00802   0.00000   0.00803  -1.11429
   D172      -0.93118  -0.00004   0.04286   0.00000   0.04285  -0.88833
   D173       3.00979  -0.00492   0.00104   0.00000   0.00106   3.01085
   D174      -3.02907   0.00136   0.05121   0.00000   0.05120  -2.97787
   D175       0.91190  -0.00352   0.00939   0.00000   0.00941   0.92131
   D176       1.66749   0.00006  -0.00915   0.00000  -0.00915   1.65834
   D177      -1.47658   0.00007  -0.00876   0.00000  -0.00876  -1.48534
   D178      -0.47655   0.00005  -0.00609   0.00000  -0.00609  -0.48264
   D179       2.66256   0.00006  -0.00570   0.00000  -0.00570   2.65686
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   D181       0.65677  -0.00032  -0.00608   0.00000  -0.00608   0.65069
   D182       3.13344   0.00003   0.00201   0.00000   0.00201   3.13546
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   D193       0.00907   0.00002  -0.00189   0.00000  -0.00189   0.00718
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   D199       3.13840  -0.00001   0.00077   0.00000   0.00077   3.13917
   D200       3.13972   0.00003   0.00091   0.00000   0.00091   3.14062
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   D211      -0.16362  -0.00355   0.01237   0.00000   0.01237  -0.15125
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   D213       2.84834  -0.00844  -0.07113   0.00000  -0.07113   2.77721
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   D216       1.68723   0.00081   0.08080   0.00000   0.08080   1.76803
   D217       0.60587  -0.00172   0.05610   0.00000   0.05610   0.66196
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   D219       2.82236  -0.00557   0.05295   0.00000   0.05295   2.87531
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   D233      -1.15160   0.00125   0.00786   0.00000   0.00786  -1.14374
   D234       0.94344   0.00161   0.00719   0.00000   0.00719   0.95063
   D235       3.08836  -0.00043  -0.00790   0.00000  -0.00790   3.08046
   D236       2.97456  -0.00066   0.00498   0.00000   0.00498   2.97953
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   D238       0.93133  -0.00234  -0.01079   0.00000  -0.01078   0.92055
   D239       0.89407   0.00060   0.00870   0.00000   0.00870   0.90277
   D240       2.98912   0.00096   0.00802   0.00000   0.00802   2.99714
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   D242       3.01334  -0.00016  -0.02319   0.00000  -0.02319   2.99015
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   D246       0.97929  -0.00054  -0.01499   0.00000  -0.01499   0.96430
   D247       3.11030  -0.00003  -0.01360   0.00000  -0.01360   3.09670
   D248       0.97947  -0.00001  -0.01459   0.00000  -0.01459   0.96488
   D249       3.04392  -0.00021  -0.01253   0.00000  -0.01253   3.03139
   D250      -1.10826   0.00030  -0.01114   0.00000  -0.01114  -1.11940
   D251       0.01044  -0.00023  -0.00501   0.00000  -0.00501   0.00543
   D252       3.14112  -0.00006   0.00002   0.00000   0.00003   3.14115
         Item               Value     Threshold  Converged?
 Maximum Force            0.026831     0.000450     NO 
 RMS     Force            0.003253     0.000300     NO 
 Maximum Displacement     2.025200     0.001800     NO 
 RMS     Displacement     0.330495     0.001200     NO 
 Predicted change in Energy=-1.000486D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.212120   -2.486831    1.323675
      2          6           0       -9.093123   -1.409016    0.241645
      3          6           0      -10.131739   -0.299028    0.427212
      4          6           0       -7.711116   -0.833952    0.231578
      5          7           0       -6.847346   -0.894390   -0.754467
      6          6           0       -5.623338   -0.249761   -0.438202
      7          6           0       -4.550606   -0.274262   -1.493266
      8          7           0       -4.068820    1.067263   -1.899030
      9          6           0       -5.052890    1.850215   -2.692888
     10          6           0       -3.212119    1.834353   -1.066660
     11          8           0       -3.060548    3.039235   -1.237783
     12          7           0       -2.495106    1.148579   -0.049253
     13          6           0       -1.316917    1.835898    0.527699
     14          6           0       -0.047995    1.380879   -0.222724
     15          8           0        0.085368    0.248660   -0.675819
     16          7           0        0.945362    2.337546   -0.371085
     17          6           0        2.230478    2.028117   -1.059094
     18          6           0        2.742422    3.289583   -1.787673
     19          6           0        3.013344    4.459147   -0.881255
     20          6           0        2.024804    5.436058   -0.679158
     21          6           0        2.272588    6.521868    0.164604
     22          6           0        3.506703    6.643915    0.811193
     23          6           0        4.496449    5.677766    0.604843
     24          6           0        4.254242    4.590021   -0.238585
     25          6           0        3.270075    1.465712   -0.061101
     26          6           0        2.942405    0.025605    0.357855
     27          8           0        2.247426    0.065370    1.624461
     28          6           0        4.200278   -0.834952    0.680590
     29          6           0        5.074353   -1.036805   -0.568301
     30          6           0        6.423430   -1.600334   -0.214138
     31          6           0        6.640411   -2.985339   -0.276611
     32          6           0        7.893590   -3.512086    0.044295
     33          6           0        8.936224   -2.662489    0.430003
     34          6           0        8.720493   -1.282435    0.496301
     35          6           0        7.468714   -0.749396    0.176426
     36          7           0        3.742590   -2.123406    1.284463
     37          6           0        3.135643   -3.076692    0.460537
     38          8           0        3.418366   -3.430542   -0.665558
     39          8           0        2.144374   -3.716234    1.207994
     40          6           0        1.337717   -4.699788    0.492978
     41          6           0        0.287255   -3.977415   -0.255438
     42          6           0       -0.851567   -3.371738    0.211856
     43          7           0       -1.616998   -2.694053   -0.756936
     44          6           0       -1.073847   -2.778756   -1.953619
     45         16           0        0.436707   -3.685889   -1.962581
     46          6           0       -1.220159    1.507508    2.047912
     47          6           0       -1.050547    0.013494    2.324244
     48          6           0       -0.084601    2.314927    2.680622
     49          6           0       -5.562235    0.307324    0.807132
     50         16           0       -7.061591    0.046424    1.640583
     51          1           0      -10.179914   -2.997659    1.259270
     52          1           0       -8.431459   -3.250445    1.216996
     53          1           0       -9.131399   -2.072883    2.335837
     54          1           0       -9.269374   -1.892478   -0.762179
     55          1           0      -10.052534    0.189586    1.405656
     56          1           0      -10.026811    0.480102   -0.338431
     57          1           0      -11.149405   -0.699973    0.349396
     58          1           0       -3.692648   -0.898578   -1.141734
     59          1           0       -4.937551   -0.788245   -2.411953
     60          1           0       -5.218396    1.342889   -3.657256
     61          1           0       -4.652552    2.862461   -2.899546
     62          1           0       -6.020124    1.963157   -2.176569
     63          1           0       -2.384242    0.128896   -0.114564
     64          1           0       -1.457829    2.951150    0.413128
     65          1           0        0.876341    3.247242    0.080441
     66          1           0        2.018338    1.239279   -1.841553
     67          1           0        2.004827    3.576067   -2.570110
     68          1           0        3.660580    3.025169   -2.353513
     69          1           0        1.066016    5.358999   -1.191595
     70          1           0        1.502182    7.277437    0.314918
     71          1           0        3.697332    7.489983    1.468156
     72          1           0        5.461030    5.774012    1.101599
     73          1           0        5.033693    3.848024   -0.397446
     74          1           0        3.323460    2.103054    0.847436
     75          1           0        4.279271    1.515560   -0.513522
     76          1           0        2.293656   -0.482706   -0.396517
     77          1           0        1.264230   -0.038697    1.477370
     78          1           0        4.799802   -0.327514    1.489034
     79          1           0        4.561134   -1.712536   -1.297370
     80          1           0        5.188693   -0.074139   -1.107544
     81          1           0        5.821807   -3.646294   -0.570599
     82          1           0        8.058355   -4.586967   -0.005011
     83          1           0        9.911130   -3.074816    0.678438
     84          1           0        9.529604   -0.620207    0.798288
     85          1           0        7.307947    0.323775    0.232024
     86          1           0        3.262908   -1.967312    2.190116
     87          1           0        0.937564   -5.312010    1.326377
     88          1           0        2.000030   -5.312902   -0.151796
     89          1           0       -1.206330   -3.359898    1.238255
     90          1           0       -1.475161   -2.333017   -2.855423
     91          1           0       -2.193044    1.833338    2.505709
     92          1           0       -1.935200   -0.563870    2.021367
     93          1           0       -0.189381   -0.421686    1.783315
     94          1           0       -0.923100   -0.187037    3.393493
     95          1           0       -0.098142    2.215807    3.773809
     96          1           0        0.908975    1.968230    2.357073
     97          1           0       -0.159898    3.384264    2.458084
     98          1           0       -4.744136    0.844274    1.261491
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0741106      0.0289935      0.0228545
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3611.6489230411 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 EnCoef did    10 forward-backward iterations
 SCF Done:  E(RPM6) = -0.250411931830     A.U. after   28 cycles
             Convg  =    0.9707D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000100252    0.000021402   -0.000194675
      2        6          -0.000300474   -0.000308037   -0.000080366
      3        6           0.000201555   -0.000008045   -0.000111117
      4        6          -0.000149077    0.000549812   -0.000441778
      5        7           0.001125663   -0.000024353    0.000647284
      6        6          -0.000779116   -0.000372258   -0.000591548
      7        6           0.001056372    0.000456811    0.000901801
      8        7          -0.000110477    0.000222727    0.000127025
      9        6           0.000787041   -0.000417895   -0.000674702
     10        6          -0.000717935   -0.000195616   -0.001672938
     11        8           0.000062889   -0.000307869    0.000210815
     12        7           0.000070888   -0.002113564    0.001884454
     13        6           0.000113630    0.000711874    0.000741007
     14        6           0.000005326    0.000778107   -0.001448985
     15        8          -0.000055845   -0.001165008    0.000436217
     16        7          -0.001564864    0.000400249   -0.000766079
     17        6          -0.000761031    0.001016006    0.002122284
     18        6          -0.000276419   -0.000980509    0.000034801
     19        6           0.000132409   -0.000185600   -0.000147773
     20        6          -0.000167239    0.000232573   -0.000134046
     21        6          -0.000235587    0.000005921    0.000059594
     22        6           0.000141144    0.000170876   -0.000070501
     23        6           0.000139625    0.000099424   -0.000052971
     24        6           0.000081674    0.000016262    0.000093614
     25        6           0.001944480    0.001366321    0.000314884
     26        6           0.001182339   -0.000816325   -0.001415229
     27        8           0.001021131    0.000282001   -0.000676785
     28        6          -0.001525632   -0.001257389   -0.001065570
     29        6          -0.000322891    0.000182987    0.000604323
     30        6          -0.000258435   -0.000228237    0.000239987
     31        6          -0.000376975   -0.000148307   -0.000031548
     32        6           0.000193583   -0.000217127   -0.000165286
     33        6           0.000123106   -0.000040914   -0.000086021
     34        6          -0.000147783    0.000077063    0.000089973
     35        6           0.000397107    0.000213501   -0.000104124
     36        7           0.000466068   -0.001282668   -0.000167562
     37        6          -0.000963957    0.003130791    0.000743721
     38        8           0.000974117   -0.000314882    0.000134931
     39        8          -0.000407278    0.000310043    0.000738786
     40        6           0.000653810    0.000592667   -0.000728231
     41        6           0.000670446   -0.000803288    0.000311992
     42        6          -0.000394454   -0.000414357    0.000410958
     43        7           0.001216574    0.000799996   -0.000217470
     44        6           0.000745754   -0.001183273    0.000009378
     45       16          -0.000846303    0.000280470   -0.000215145
     46        6           0.000274571   -0.000074939    0.000278606
     47        6          -0.000369296    0.002795709    0.000092079
     48        6          -0.000100192   -0.000165945    0.000543172
     49        6          -0.000175453   -0.000021681   -0.000359834
     50       16           0.000134191    0.000013868    0.000294409
     51        1           0.000098841    0.000059308    0.000112670
     52        1          -0.000101775    0.000034418    0.000008820
     53        1          -0.000066616    0.000024352   -0.000090749
     54        1          -0.000032484   -0.000023456    0.000256617
     55        1          -0.000075039    0.000038822    0.000036195
     56        1           0.000030611    0.000001897    0.000055571
     57        1          -0.000009615    0.000018411   -0.000041722
     58        1          -0.001394372    0.000103950    0.000614425
     59        1          -0.000396541   -0.000024477    0.000073073
     60        1           0.000017552   -0.000065582    0.000076871
     61        1           0.000091540    0.000114609   -0.000081791
     62        1          -0.000005550    0.000131657   -0.000093449
     63        1          -0.001416397    0.001776234    0.000013290
     64        1           0.000627109    0.000968913   -0.000359017
     65        1          -0.000028401   -0.000320784   -0.000017768
     66        1           0.000672726   -0.000838157    0.000683820
     67        1           0.000112117   -0.000058691    0.000093076
     68        1           0.000017587    0.000012379   -0.000245481
     69        1          -0.000076501   -0.000082035    0.000043403
     70        1           0.000012406   -0.000013828    0.000011433
     71        1          -0.000034917   -0.000039673    0.000009375
     72        1          -0.000053504    0.000011517    0.000010742
     73        1           0.000032879   -0.000024252   -0.000077128
     74        1           0.000281683    0.000338823    0.000054477
     75        1          -0.000138958    0.000024000   -0.000276056
     76        1           0.000588637   -0.000232150   -0.000045159
     77        1          -0.000741260   -0.000209004   -0.000051283
     78        1           0.000067721    0.000604824   -0.000350418
     79        1          -0.000005152   -0.000379380   -0.000084867
     80        1           0.000176232   -0.000489685    0.000044189
     81        1           0.000170905    0.000268297    0.000038444
     82        1           0.000041544    0.000059509    0.000023871
     83        1          -0.000036932   -0.000044915    0.000012700
     84        1          -0.000000709    0.000023146    0.000009171
     85        1          -0.000090046   -0.000049965    0.000008857
     86        1          -0.000474904   -0.000420420    0.000365190
     87        1           0.000033407   -0.000365546    0.000069665
     88        1          -0.000052894    0.000133008    0.000495096
     89        1          -0.000055986    0.000329259   -0.000087062
     90        1           0.000267417   -0.000051520   -0.000433666
     91        1          -0.000451773   -0.000365080   -0.000580838
     92        1          -0.000282534    0.000159949   -0.001534558
     93        1           0.000986448   -0.001256743    0.000574234
     94        1          -0.001476006   -0.001567055   -0.000143493
     95        1           0.000121634   -0.000019085   -0.000036977
     96        1           0.000068377   -0.000026238    0.000190698
     97        1           0.000005634    0.000013764    0.000245942
     98        1          -0.000033171    0.000037297   -0.000046248
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003130791 RMS     0.000610545

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.014046788 RMS     0.001599478
 Search for a local minimum.
 Step number  44 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   40   39   41   43   42
                                                     44
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00089   0.00146   0.00196   0.00237   0.00320
     Eigenvalues ---    0.00356   0.00454   0.00536   0.00585   0.00656
     Eigenvalues ---    0.00725   0.00753   0.00862   0.00912   0.00935
     Eigenvalues ---    0.00973   0.01066   0.01107   0.01196   0.01204
     Eigenvalues ---    0.01273   0.01317   0.01399   0.01413   0.01444
     Eigenvalues ---    0.01457   0.01495   0.01591   0.01609   0.01682
     Eigenvalues ---    0.01750   0.01782   0.01926   0.02013   0.02069
     Eigenvalues ---    0.02191   0.02194   0.02203   0.02219   0.02245
     Eigenvalues ---    0.02257   0.02268   0.02290   0.02322   0.02329
     Eigenvalues ---    0.02372   0.02404   0.02408   0.02414   0.02448
     Eigenvalues ---    0.02482   0.02485   0.02527   0.02528   0.02587
     Eigenvalues ---    0.02661   0.02692   0.02780   0.02977   0.03343
     Eigenvalues ---    0.03776   0.04017   0.04054   0.04152   0.04258
     Eigenvalues ---    0.04305   0.04435   0.04701   0.04834   0.04945
     Eigenvalues ---    0.05017   0.05067   0.05141   0.05177   0.05232
     Eigenvalues ---    0.05334   0.05365   0.05406   0.05444   0.05531
     Eigenvalues ---    0.05617   0.05680   0.05719   0.05742   0.05790
     Eigenvalues ---    0.05832   0.05894   0.05942   0.05985   0.06029
     Eigenvalues ---    0.06305   0.06510   0.06716   0.06902   0.07094
     Eigenvalues ---    0.07445   0.07530   0.07998   0.08302   0.08549
     Eigenvalues ---    0.08635   0.09365   0.09723   0.09843   0.10347
     Eigenvalues ---    0.11914   0.12894   0.13115   0.13309   0.13451
     Eigenvalues ---    0.13685   0.13995   0.14277   0.14706   0.15554
     Eigenvalues ---    0.15626   0.15708   0.15947   0.15963   0.15975
     Eigenvalues ---    0.15982   0.15992   0.15998   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16002   0.16003   0.16009
     Eigenvalues ---    0.16015   0.16021   0.16030   0.16064   0.16079
     Eigenvalues ---    0.16092   0.16136   0.16231   0.16868   0.17035
     Eigenvalues ---    0.17172   0.17731   0.17972   0.18101   0.18413
     Eigenvalues ---    0.19042   0.19214   0.19982   0.20338   0.21394
     Eigenvalues ---    0.21760   0.21958   0.21981   0.22000   0.22001
     Eigenvalues ---    0.22008   0.22073   0.22366   0.22523   0.23011
     Eigenvalues ---    0.23444   0.23480   0.23578   0.23683   0.23823
     Eigenvalues ---    0.24131   0.24216   0.24534   0.24612   0.24778
     Eigenvalues ---    0.24943   0.25006   0.25041   0.25117   0.25346
     Eigenvalues ---    0.25597   0.26286   0.27526   0.28851   0.29331
     Eigenvalues ---    0.29664   0.29784   0.29919   0.30103   0.30219
     Eigenvalues ---    0.30338   0.30519   0.30677   0.30748   0.30960
     Eigenvalues ---    0.31333   0.31371   0.31427   0.31488   0.31501
     Eigenvalues ---    0.31630   0.31671   0.31791   0.32019   0.32165
     Eigenvalues ---    0.32331   0.32446   0.32562   0.32654   0.32767
     Eigenvalues ---    0.32812   0.32835   0.32879   0.32971   0.33020
     Eigenvalues ---    0.33068   0.33115   0.33169   0.33208   0.33342
     Eigenvalues ---    0.33484   0.33573   0.33592   0.33671   0.33688
     Eigenvalues ---    0.33761   0.33918   0.33970   0.34001   0.34101
     Eigenvalues ---    0.34168   0.34242   0.34353   0.34394   0.34473
     Eigenvalues ---    0.34497   0.34615   0.34762   0.34886   0.35661
     Eigenvalues ---    0.36248   0.36311   0.36376   0.36444   0.36637
     Eigenvalues ---    0.36842   0.36957   0.37241   0.38255   0.38636
     Eigenvalues ---    0.39434   0.40110   0.40762   0.41189   0.42429
     Eigenvalues ---    0.42524   0.42919   0.43299   0.43484   0.44176
     Eigenvalues ---    0.44481   0.45157   0.46130   0.47463   0.48049
     Eigenvalues ---    0.48326   0.48424   0.48537   0.48683   0.48947
     Eigenvalues ---    0.49195   0.49820   0.50042   0.50879   0.50970
     Eigenvalues ---    0.51240   0.51401   0.56358   0.57665   0.59294
     Eigenvalues ---    0.62133   0.64419   0.65168   0.75891   0.78788
     Eigenvalues ---    0.83753   1.12156   1.901121000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-2.87976206D-03 EMin= 8.90706293D-04
 Quartic linear search produced a step of  0.29302.
 Maximum step size (   0.443) exceeded in Quadratic search.
    -- Step size scaled by   0.954
 Iteration  1 RMS(Cart)=  0.14932736 RMS(Int)=  0.00301661
 Iteration  2 RMS(Cart)=  0.00816238 RMS(Int)=  0.00009502
 Iteration  3 RMS(Cart)=  0.00002442 RMS(Int)=  0.00009479
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00009479
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89482  -0.00013  -0.00001  -0.00106  -0.00107   2.89375
    R2        2.07157   0.00014   0.00000   0.00087   0.00087   2.07245
    R3        2.07347   0.00011  -0.00001   0.00072   0.00070   2.07417
    R4        2.07211  -0.00008  -0.00002  -0.00102  -0.00104   2.07107
    R5        2.89396   0.00013  -0.00001   0.00029   0.00028   2.89423
    R6        2.82875  -0.00021  -0.00004  -0.00331  -0.00335   2.82540
    R7        2.13168  -0.00014   0.00001  -0.00055  -0.00054   2.13114
    R8        2.07213  -0.00003  -0.00001  -0.00043  -0.00044   2.07170
    R9        2.07376  -0.00005   0.00001  -0.00052  -0.00051   2.07325
   R10        2.07221   0.00000   0.00000  -0.00003  -0.00004   2.07217
   R11        2.47982  -0.00062   0.00005  -0.00028  -0.00023   2.47958
   R12        3.37105   0.00013  -0.00006  -0.00212  -0.00219   3.36886
   R13        2.68166   0.00068  -0.00012  -0.00118  -0.00130   2.68036
   R14        2.84372  -0.00037  -0.00001  -0.00549  -0.00550   2.83822
   R15        2.58066  -0.00021   0.00008   0.00113   0.00121   2.58187
   R16        2.80066   0.00114  -0.00007   0.00128   0.00121   2.80187
   R17        2.11230   0.00151   0.00011   0.00100   0.00110   2.11340
   R18        2.11944  -0.00007  -0.00004  -0.00020  -0.00024   2.11920
   R19        2.81031   0.00114   0.00000   0.00550   0.00550   2.81580
   R20        2.68262   0.00047   0.00010   0.00440   0.00450   2.68712
   R21        2.08280  -0.00010   0.00000  -0.00016  -0.00016   2.08264
   R22        2.09378  -0.00003   0.00003   0.00046   0.00049   2.09427
   R23        2.08289  -0.00004   0.00000  -0.00073  -0.00073   2.08216
   R24        2.31751   0.00010  -0.00003  -0.00341  -0.00344   2.31407
   R25        2.68548   0.00056  -0.00030   0.00089   0.00059   2.68607
   R26        2.79872  -0.00128  -0.00039  -0.01485  -0.01524   2.78348
   R27        1.94220   0.00199  -0.00003   0.00501   0.00498   1.94718
   R28        2.91554  -0.00221   0.00007  -0.00283  -0.00276   2.91278
   R29        2.94473  -0.00018  -0.00012  -0.01004  -0.01016   2.93457
   R30        2.13528  -0.00014  -0.00003  -0.00069  -0.00072   2.13456
   R31        2.31829  -0.00089  -0.00011  -0.00296  -0.00307   2.31522
   R32        2.62120  -0.00080   0.00013   0.00091   0.00104   2.62224
   R33        2.81603  -0.00423   0.00019   0.00059   0.00078   2.81680
   R34        1.92361   0.00027  -0.00012  -0.00226  -0.00238   1.92123
   R35        2.91790   0.00076  -0.00017   0.00118   0.00101   2.91891
   R36        2.92331  -0.00389   0.00057   0.00057   0.00114   2.92445
   R37        2.13757  -0.00106   0.00023   0.00068   0.00091   2.13848
   R38        2.84269  -0.00021   0.00007   0.00088   0.00095   2.84364
   R39        2.10289  -0.00002   0.00001   0.00138   0.00139   2.10428
   R40        2.09845   0.00007   0.00000  -0.00089  -0.00089   2.09756
   R41        2.65398  -0.00033   0.00007   0.00101   0.00108   2.65505
   R42        2.65234  -0.00019   0.00000  -0.00006  -0.00006   2.65228
   R43        2.64042  -0.00009  -0.00002  -0.00023  -0.00025   2.64018
   R44        2.05955  -0.00012   0.00003   0.00026   0.00029   2.05984
   R45        2.64292  -0.00021   0.00005   0.00056   0.00060   2.64353
   R46        2.05885   0.00001  -0.00001   0.00010   0.00010   2.05895
   R47        2.64266  -0.00008  -0.00002  -0.00023  -0.00024   2.64242
   R48        2.05605   0.00003  -0.00001  -0.00010  -0.00011   2.05594
   R49        2.64104  -0.00015   0.00003   0.00059   0.00062   2.64166
   R50        2.05837   0.00003   0.00000   0.00018   0.00018   2.05854
   R51        2.05567  -0.00005   0.00002   0.00001   0.00003   2.05570
   R52        2.90108  -0.00248   0.00033   0.00141   0.00174   2.90283
   R53        2.09963  -0.00020  -0.00010  -0.00099  -0.00109   2.09854
   R54        2.09210   0.00024  -0.00008  -0.00126  -0.00134   2.09076
   R55        2.73120  -0.00041   0.00001  -0.00182  -0.00181   2.72940
   R56        2.94395   0.00003  -0.00028   0.00165   0.00137   2.94532
   R57        2.11137  -0.00004   0.00024   0.00339   0.00363   2.11499
   R58        1.88891  -0.00074   0.00015   0.00029   0.00043   1.88935
   R59        2.90581  -0.00053   0.00011   0.00123   0.00133   2.90714
   R60        2.82465   0.00167  -0.00025  -0.01285  -0.01309   2.81156
   R61        2.13004  -0.00068   0.00000  -0.00494  -0.00495   2.12509
   R62        2.84277   0.00001   0.00012   0.00585   0.00597   2.84874
   R63        2.11409  -0.00035  -0.00004  -0.00375  -0.00379   2.11030
   R64        2.09630   0.00020   0.00007   0.00297   0.00304   2.09935
   R65        2.65183  -0.00005   0.00000   0.00126   0.00126   2.65309
   R66        2.65185  -0.00022   0.00006   0.00084   0.00090   2.65275
   R67        2.63947  -0.00022   0.00005   0.00070   0.00075   2.64022
   R68        2.06439   0.00032   0.00000   0.00136   0.00136   2.06575
   R69        2.64404  -0.00004  -0.00002  -0.00049  -0.00051   2.64353
   R70        2.05707   0.00003   0.00000   0.00041   0.00040   2.05747
   R71        2.64257  -0.00020   0.00004   0.00007   0.00010   2.64267
   R72        2.05466   0.00005  -0.00001   0.00005   0.00003   2.05469
   R73        2.64116   0.00004  -0.00002   0.00043   0.00041   2.64157
   R74        2.05659  -0.00002   0.00000  -0.00004  -0.00004   2.05655
   R75        2.05332  -0.00001   0.00000  -0.00010  -0.00010   2.05322
   R76        2.64291   0.00244  -0.00048  -0.02484  -0.02533   2.61758
   R77        1.95901   0.00012  -0.00010  -0.01320  -0.01330   1.94570
   R78        2.29369  -0.00073   0.00003  -0.00152  -0.00149   2.29220
   R79        2.63908   0.00119  -0.00009   0.00289   0.00280   2.64187
   R80        2.75752  -0.00022   0.00016   0.00311   0.00328   2.76080
   R81        2.79361   0.00118   0.00006   0.00242   0.00248   2.79609
   R82        2.09537   0.00001  -0.00015  -0.00011  -0.00026   2.09511
   R83        2.09606   0.00000   0.00006   0.00197   0.00203   2.09810
   R84        2.59253   0.00041   0.00014   0.00310   0.00315   2.59567
   R85        3.28490   0.00042  -0.00016  -0.00169  -0.00190   3.28299
   R86        2.66156   0.00068  -0.00003   0.00129   0.00124   2.66281
   R87        2.05233  -0.00022  -0.00003  -0.00078  -0.00081   2.05152
   R88        2.48859  -0.00007   0.00022   0.00299   0.00329   2.49188
   R89        3.32975   0.00147  -0.00042  -0.00589  -0.00623   3.32352
   R90        2.04666   0.00047  -0.00005  -0.00102  -0.00106   2.04560
   R91        2.88900  -0.00012  -0.00032  -0.01624  -0.01656   2.87244
   R92        2.89180   0.00015   0.00001   0.00203   0.00204   2.89384
   R93        2.12310  -0.00054   0.00012   0.00010   0.00022   2.12333
   R94        2.07672  -0.00017  -0.00017  -0.00469  -0.00486   2.07186
   R95        2.09034  -0.00139   0.00020  -0.00564  -0.00544   2.08491
   R96        2.06988   0.00055  -0.00002   0.00317   0.00315   2.07303
   R97        2.07446  -0.00001   0.00002   0.00024   0.00026   2.07472
   R98        2.08048  -0.00010   0.00000   0.00012   0.00011   2.08060
   R99        2.06895  -0.00018   0.00001  -0.00062  -0.00061   2.06834
   R100       3.27898   0.00033  -0.00017  -0.00320  -0.00336   3.27561
   R101       2.03884  -0.00002  -0.00004   0.00092   0.00088   2.03972
    A1        1.93365   0.00013  -0.00001   0.00288   0.00287   1.93652
    A2        1.94520  -0.00003  -0.00001  -0.00094  -0.00095   1.94425
    A3        1.96132  -0.00010  -0.00001  -0.00075  -0.00077   1.96055
    A4        1.87351  -0.00002  -0.00004   0.00022   0.00018   1.87369
    A5        1.87040  -0.00001   0.00003   0.00005   0.00008   1.87048
    A6        1.87559   0.00003   0.00004  -0.00149  -0.00145   1.87414
    A7        1.95163   0.00001  -0.00001   0.00001  -0.00001   1.95163
    A8        1.92492  -0.00002   0.00005   0.00111   0.00115   1.92607
    A9        1.89112  -0.00010   0.00009  -0.00176  -0.00167   1.88945
   A10        1.92678   0.00004  -0.00015  -0.00376  -0.00391   1.92287
   A11        1.88863   0.00004   0.00003   0.00274   0.00278   1.89141
   A12        1.87855   0.00003  -0.00001   0.00182   0.00182   1.88037
   A13        1.96288  -0.00013  -0.00003  -0.00392  -0.00395   1.95893
   A14        1.94466   0.00007  -0.00005   0.00016   0.00010   1.94476
   A15        1.93456   0.00000   0.00003   0.00098   0.00102   1.93557
   A16        1.87474   0.00003  -0.00001   0.00075   0.00074   1.87548
   A17        1.86846   0.00006   0.00005   0.00215   0.00220   1.87066
   A18        1.87425  -0.00003   0.00002   0.00010   0.00012   1.87438
   A19        2.20814   0.00007  -0.00008  -0.00167  -0.00176   2.20638
   A20        2.11816   0.00003   0.00007   0.00149   0.00156   2.11972
   A21        1.95688  -0.00010   0.00001   0.00016   0.00014   1.95702
   A22        1.95990   0.00031  -0.00003  -0.00106  -0.00111   1.95879
   A23        2.03893   0.00054   0.00015   0.00535   0.00550   2.04442
   A24        2.01212  -0.00026   0.00000   0.00089   0.00088   2.01300
   A25        2.23205  -0.00028  -0.00015  -0.00616  -0.00631   2.22574
   A26        1.99211  -0.00070   0.00004  -0.00062  -0.00059   1.99152
   A27        1.91320   0.00037  -0.00017  -0.00140  -0.00159   1.91162
   A28        1.91327   0.00032  -0.00015   0.00225   0.00210   1.91537
   A29        1.92001   0.00014   0.00013  -0.00532  -0.00519   1.91482
   A30        1.87834   0.00017   0.00011   0.00042   0.00054   1.87887
   A31        1.84051  -0.00028   0.00005   0.00525   0.00530   1.84581
   A32        1.99062   0.00069  -0.00034  -0.00563  -0.00612   1.98450
   A33        2.12325  -0.00076  -0.00031  -0.00924  -0.00967   2.11358
   A34        2.01291   0.00009  -0.00014  -0.00089  -0.00123   2.01168
   A35        1.90086  -0.00013  -0.00001  -0.00186  -0.00187   1.89898
   A36        1.91927   0.00025   0.00003   0.00247   0.00250   1.92177
   A37        1.96554   0.00012   0.00006   0.00181   0.00186   1.96740
   A38        1.88766  -0.00008  -0.00001  -0.00190  -0.00191   1.88575
   A39        1.90208  -0.00010   0.00000  -0.00163  -0.00163   1.90045
   A40        1.88686  -0.00008  -0.00006   0.00095   0.00088   1.88774
   A41        2.12194   0.00106   0.00030   0.00895   0.00880   2.13074
   A42        2.05275  -0.00145  -0.00043  -0.01013  -0.01101   2.04174
   A43        2.10790   0.00039   0.00007  -0.00051  -0.00088   2.10702
   A44        2.04467   0.00027   0.00024  -0.01496  -0.01522   2.02944
   A45        2.08025  -0.00050  -0.00020  -0.01370  -0.01443   2.06582
   A46        1.98163  -0.00018   0.00008  -0.00391  -0.00445   1.97718
   A47        1.90492  -0.00225   0.00026  -0.00794  -0.00766   1.89725
   A48        1.90884   0.00103  -0.00047  -0.01526  -0.01570   1.89314
   A49        1.89583   0.00016   0.00030  -0.00443  -0.00406   1.89178
   A50        1.94045  -0.00083   0.00018   0.00817   0.00819   1.94864
   A51        1.92233   0.00164  -0.00037   0.00422   0.00370   1.92603
   A52        1.89090   0.00030   0.00011   0.01493   0.01495   1.90584
   A53        2.14271  -0.00452   0.00047  -0.00051  -0.00037   2.14234
   A54        2.02375   0.00960  -0.00050  -0.00037  -0.00121   2.02254
   A55        2.11669  -0.00507   0.00004   0.00127   0.00098   2.11767
   A56        2.12207  -0.01405   0.00052   0.00061   0.00114   2.12321
   A57        2.11807   0.00696  -0.00010   0.00145   0.00134   2.11942
   A58        2.03626   0.00683  -0.00015  -0.00256  -0.00272   2.03354
   A59        1.91149   0.00397   0.00013  -0.00415  -0.00402   1.90747
   A60        1.93605  -0.00408  -0.00010  -0.00354  -0.00364   1.93241
   A61        1.87805  -0.00158   0.00030   0.00540   0.00571   1.88376
   A62        1.95909   0.00231   0.00013   0.00117   0.00128   1.96037
   A63        1.88128  -0.00030  -0.00025   0.00192   0.00167   1.88294
   A64        1.89522  -0.00043  -0.00021  -0.00037  -0.00058   1.89464
   A65        1.99388   0.00049  -0.00011  -0.00083  -0.00095   1.99293
   A66        1.89899  -0.00021   0.00017  -0.00082  -0.00065   1.89833
   A67        1.89657   0.00002  -0.00009   0.00159   0.00150   1.89806
   A68        1.92079  -0.00023   0.00012  -0.00148  -0.00136   1.91943
   A69        1.92118  -0.00015  -0.00007   0.00231   0.00223   1.92341
   A70        1.82458   0.00004   0.00000  -0.00076  -0.00076   1.82382
   A71        2.09527  -0.00022   0.00002  -0.00091  -0.00089   2.09438
   A72        2.10322   0.00012   0.00000   0.00039   0.00039   2.10361
   A73        2.08467   0.00010  -0.00002   0.00051   0.00049   2.08516
   A74        2.09743  -0.00004   0.00001  -0.00055  -0.00054   2.09688
   A75        2.09715   0.00003  -0.00002  -0.00025  -0.00028   2.09687
   A76        2.08850   0.00001   0.00001   0.00079   0.00080   2.08930
   A77        2.09842   0.00002   0.00000   0.00028   0.00027   2.09869
   A78        2.09075   0.00000   0.00002   0.00037   0.00039   2.09114
   A79        2.09401  -0.00002  -0.00002  -0.00065  -0.00067   2.09334
   A80        2.08980  -0.00003   0.00000  -0.00002  -0.00001   2.08979
   A81        2.09627   0.00006  -0.00003   0.00012   0.00009   2.09636
   A82        2.09710  -0.00003   0.00003  -0.00011  -0.00008   2.09701
   A83        2.09915   0.00000   0.00000   0.00021   0.00021   2.09935
   A84        2.09256   0.00004   0.00001   0.00073   0.00073   2.09330
   A85        2.09147  -0.00005  -0.00001  -0.00094  -0.00094   2.09053
   A86        2.09685  -0.00005   0.00001  -0.00043  -0.00042   2.09643
   A87        2.09788   0.00002   0.00001  -0.00006  -0.00006   2.09783
   A88        2.08844   0.00003  -0.00001   0.00048   0.00047   2.08891
   A89        1.95375  -0.01017  -0.00048  -0.00573  -0.00622   1.94753
   A90        1.92973   0.00452   0.00027   0.00473   0.00501   1.93474
   A91        1.90985   0.00146   0.00009  -0.00419  -0.00412   1.90574
   A92        1.90202   0.00057   0.00041   0.00668   0.00710   1.90912
   A93        1.92658   0.00571  -0.00010   0.00034   0.00021   1.92679
   A94        1.83852  -0.00143  -0.00016  -0.00147  -0.00163   1.83689
   A95        1.89229  -0.00330   0.00079   0.00560   0.00634   1.89864
   A96        1.98491   0.00773   0.00111   0.01106   0.01214   1.99705
   A97        1.94598  -0.00166  -0.00061  -0.00903  -0.00960   1.93638
   A98        1.79456  -0.00027  -0.00055   0.00044  -0.00020   1.79436
   A99        1.90183   0.00110   0.00000   0.00198   0.00199   1.90381
   A100       1.93627  -0.00368  -0.00071  -0.00894  -0.00963   1.92664
   A101       1.91894  -0.00032  -0.00022  -0.00922  -0.00944   1.90950
   A102       1.94253  -0.00035   0.00039   0.00757   0.00793   1.95046
   A103       1.88874  -0.00504  -0.00122  -0.01857  -0.01977   1.86897
   A104       1.90643   0.00312   0.00026   0.00624   0.00649   1.91292
   A105       1.97037   0.00392  -0.00008   0.00347   0.00340   1.97377
   A106       1.91695  -0.00173   0.00028  -0.00251  -0.00228   1.91468
   A107       1.83502   0.00014   0.00038   0.00357   0.00398   1.83900
   A108       1.94737   0.00002   0.00003   0.00422   0.00415   1.95152
   A109       1.92604   0.00019   0.00012   0.00610   0.00616   1.93220
   A110       1.91716  -0.00040  -0.00006  -0.01319  -0.01329   1.90388
   A111       1.91619   0.00006   0.00003   0.00946   0.00943   1.92562
   A112       1.92526   0.00005  -0.00017  -0.01157  -0.01177   1.91349
   A113       1.82829   0.00010   0.00004   0.00491   0.00502   1.83332
   A114       2.09198   0.00018   0.00012   0.00770   0.00782   2.09980
   A115       2.10177  -0.00030  -0.00007  -0.00648  -0.00655   2.09522
   A116       2.08943   0.00011  -0.00005  -0.00124  -0.00129   2.08814
   A117       2.09522  -0.00011   0.00004   0.00006   0.00010   2.09532
   A118       2.08663   0.00002   0.00004   0.00198   0.00202   2.08866
   A119       2.10131   0.00009  -0.00008  -0.00205  -0.00212   2.09919
   A120       2.09778   0.00009  -0.00001   0.00078   0.00077   2.09855
   A121       2.09184  -0.00011   0.00001  -0.00082  -0.00081   2.09103
   A122       2.09357   0.00002   0.00000   0.00004   0.00004   2.09361
   A123       2.09136  -0.00001  -0.00001  -0.00054  -0.00054   2.09081
   A124       2.09541   0.00004   0.00000   0.00056   0.00056   2.09598
   A125       2.09642  -0.00003   0.00000  -0.00002  -0.00002   2.09640
   A126       2.09868  -0.00002   0.00001   0.00022   0.00023   2.09891
   A127       2.09322   0.00000  -0.00001  -0.00014  -0.00015   2.09307
   A128       2.09129   0.00002   0.00000  -0.00008  -0.00008   2.09121
   A129       2.09390  -0.00005   0.00003   0.00071   0.00074   2.09464
   A130       2.09779   0.00013  -0.00004   0.00135   0.00131   2.09910
   A131       2.09150  -0.00008   0.00001  -0.00206  -0.00205   2.08944
   A132       2.07422  -0.00098  -0.00148   0.00094  -0.00055   2.07367
   A133       1.94425   0.00073  -0.00032   0.00139   0.00105   1.94530
   A134       2.00038  -0.00168  -0.00036   0.00552   0.00514   2.00553
   A135       2.27076   0.00205  -0.00022  -0.00130  -0.00187   2.26890
   A136       1.88060  -0.00255   0.00024  -0.00180  -0.00190   1.87870
   A137       2.12750   0.00086   0.00008   0.00719   0.00693   2.13443
   A138       2.02505   0.00185  -0.00043  -0.00559  -0.00603   2.01902
   A139       1.88758  -0.00388  -0.00019   0.00330   0.00310   1.89068
   A140       1.77559   0.00121   0.00020  -0.00049  -0.00031   1.77528
   A141       1.90427   0.00100  -0.00017  -0.00177  -0.00194   1.90233
   A142       1.97564  -0.00047   0.00052   0.00782   0.00833   1.98397
   A143       1.98243   0.00236  -0.00039  -0.00384  -0.00422   1.97821
   A144       1.92538  -0.00043   0.00006  -0.00471  -0.00464   1.92074
   A145       2.25640  -0.00139   0.00031   0.00908   0.00940   2.26580
   A146       2.11536   0.00172  -0.00035  -0.00900  -0.00937   2.10600
   A147       1.90905  -0.00034  -0.00002   0.00137   0.00115   1.91020
   A148       2.01447   0.00067   0.00000  -0.00207  -0.00218   2.01230
   A149       2.21165  -0.00033  -0.00008   0.00001  -0.00004   2.21161
   A150       2.05703  -0.00034   0.00007   0.00215   0.00224   2.05927
   A151       1.94976  -0.00048  -0.00015  -0.00150  -0.00154   1.94822
   A152       1.97286   0.00017   0.00012   0.00259   0.00208   1.97494
   A153       2.18627  -0.00022  -0.00014  -0.00087  -0.00185   2.18441
   A154       2.12387   0.00005   0.00004  -0.00040  -0.00121   2.12266
   A155       1.57844  -0.00002   0.00007   0.00035   0.00046   1.57889
   A156       1.97053  -0.00161  -0.00032  -0.02007  -0.02036   1.95016
   A157       1.91585   0.00205   0.00007   0.01026   0.01020   1.92605
   A158       1.85733  -0.00026   0.00026   0.00421   0.00439   1.86173
   A159       1.93753  -0.00080  -0.00005  -0.00377  -0.00380   1.93373
   A160       1.88161   0.00130  -0.00029   0.00430   0.00402   1.88563
   A161       1.89767  -0.00067   0.00037   0.00620   0.00652   1.90419
   A162       1.95444  -0.00055  -0.00040  -0.00729  -0.00772   1.94672
   A163       1.96324  -0.00048  -0.00038  -0.01511  -0.01564   1.94760
   A164       1.94794  -0.00068   0.00023  -0.00766  -0.00752   1.94042
   A165       1.86005   0.00047   0.00046   0.01072   0.01112   1.87117
   A166       1.84058   0.00167  -0.00071   0.02736   0.02668   1.86726
   A167       1.89100  -0.00025   0.00083  -0.00467  -0.00405   1.88695
   A168       1.93365  -0.00013   0.00016   0.00301   0.00317   1.93683
   A169       1.96279   0.00008  -0.00017  -0.00145  -0.00163   1.96116
   A170       1.96088   0.00010  -0.00002  -0.00126  -0.00128   1.95960
   A171       1.84976  -0.00001  -0.00010   0.00247   0.00236   1.85212
   A172       1.86477  -0.00009   0.00010   0.00003   0.00013   1.86490
   A173       1.88589   0.00003   0.00004  -0.00262  -0.00259   1.88330
   A174       1.91561   0.00000   0.00001  -0.00116  -0.00116   1.91445
   A175       2.24079  -0.00006  -0.00032  -0.00894  -0.00927   2.23152
   A176       2.12677   0.00007   0.00031   0.01014   0.01045   2.13722
   A177       1.58024   0.00006   0.00001   0.00111   0.00111   1.58135
    D1        1.11015  -0.00005   0.00049  -0.02310  -0.02260   1.08755
    D2       -3.02195  -0.00001   0.00033  -0.02714  -0.02681  -3.04876
    D3       -0.96987  -0.00004   0.00040  -0.02535  -0.02495  -0.99482
    D4       -3.08809  -0.00001   0.00043  -0.02153  -0.02109  -3.10918
    D5       -0.93700   0.00004   0.00027  -0.02557  -0.02530  -0.96230
    D6        1.11508   0.00000   0.00034  -0.02378  -0.02344   1.09164
    D7       -0.98159  -0.00007   0.00047  -0.02465  -0.02418  -1.00577
    D8        1.16950  -0.00002   0.00031  -0.02869  -0.02838   1.14112
    D9       -3.06161  -0.00005   0.00038  -0.02690  -0.02652  -3.08813
   D10        1.01427   0.00002   0.00025  -0.01521  -0.01496   0.99932
   D11        3.12038   0.00002   0.00018  -0.01688  -0.01670   3.10369
   D12       -1.07667   0.00003   0.00019  -0.01599  -0.01580  -1.09247
   D13       -1.13576   0.00000   0.00031  -0.01392  -0.01362  -1.14938
   D14        0.97035   0.00001   0.00023  -0.01559  -0.01536   0.95499
   D15        3.05648   0.00002   0.00024  -0.01470  -0.01446   3.04202
   D16        3.09576  -0.00007   0.00038  -0.01562  -0.01524   3.08053
   D17       -1.08131  -0.00007   0.00030  -0.01728  -0.01698  -1.09829
   D18        1.00482  -0.00006   0.00031  -0.01640  -0.01608   0.98874
   D19        2.04339  -0.00006   0.00067   0.00946   0.01012   2.05351
   D20       -1.10061  -0.00001   0.00010   0.00011   0.00021  -1.10039
   D21       -2.07430  -0.00003   0.00058   0.00761   0.00819  -2.06611
   D22        1.06489   0.00002   0.00002  -0.00174  -0.00171   1.06318
   D23       -0.01644   0.00005   0.00054   0.00989   0.01042  -0.00601
   D24        3.12275   0.00010  -0.00002   0.00054   0.00052   3.12327
   D25       -3.13895   0.00005  -0.00009   0.00331   0.00322  -3.13573
   D26        0.00485   0.00001   0.00042   0.01193   0.01234   0.01720
   D27        3.13763   0.00001   0.00005  -0.00176  -0.00171   3.13592
   D28       -0.00605   0.00005  -0.00044  -0.00987  -0.01032  -0.01637
   D29        3.12772  -0.00004  -0.00011  -0.00256  -0.00264   3.12508
   D30       -0.00063  -0.00008  -0.00018  -0.00855  -0.00873  -0.00936
   D31        2.15042  -0.00004  -0.00088   0.01898   0.01810   2.16852
   D32       -1.97024  -0.00008  -0.00081   0.01043   0.00961  -1.96063
   D33        0.04217  -0.00002  -0.00093   0.01721   0.01627   0.05844
   D34       -1.00635   0.00000  -0.00080   0.02592   0.02513  -0.98122
   D35        1.15617  -0.00004  -0.00073   0.01737   0.01664   1.17281
   D36       -3.11460   0.00002  -0.00086   0.02415   0.02330  -3.09130
   D37       -0.00397   0.00011  -0.00016   0.00083   0.00068  -0.00329
   D38       -3.13919   0.00002   0.00019  -0.00622  -0.00600   3.13799
   D39       -3.13058   0.00007  -0.00024  -0.00605  -0.00628  -3.13686
   D40        0.01738  -0.00002   0.00011  -0.01310  -0.01296   0.00442
   D41       -1.23740   0.00003   0.00050   0.04655   0.04701  -1.19039
   D42        1.30465   0.00013  -0.00091   0.01926   0.01840   1.32305
   D43        2.88693  -0.00006   0.00060   0.05302   0.05356   2.94049
   D44       -0.85421   0.00004  -0.00081   0.02573   0.02496  -0.82925
   D45        0.89018   0.00010   0.00041   0.04932   0.04969   0.93987
   D46       -2.85096   0.00021  -0.00100   0.02203   0.02108  -2.82988
   D47       -1.14348  -0.00009  -0.00092  -0.01670  -0.01764  -1.16112
   D48        3.07408  -0.00007  -0.00092  -0.01473  -0.01566   3.05841
   D49        0.96855  -0.00022  -0.00090  -0.01887  -0.01979   0.94876
   D50        2.55839   0.00014   0.00045   0.01166   0.01212   2.57052
   D51        0.49276   0.00016   0.00045   0.01362   0.01410   0.50686
   D52       -1.61277   0.00001   0.00047   0.00948   0.00997  -1.60280
   D53       -2.84203  -0.00025   0.00162   0.00520   0.00675  -2.83528
   D54        0.33618  -0.00048   0.00384   0.05775   0.06166   0.39784
   D55       -0.30703   0.00003   0.00014  -0.02395  -0.02388  -0.33092
   D56        2.87118  -0.00020   0.00235   0.02859   0.03103   2.90220
   D57        2.81897  -0.00043   0.00008  -0.01376  -0.01343   2.80554
   D58        0.31985   0.00029  -0.00015   0.04009   0.03988   0.35973
   D59       -0.28631  -0.00067   0.00228   0.03813   0.04047  -0.24584
   D60       -2.78544   0.00004   0.00205   0.09198   0.09378  -2.69166
   D61       -1.64154  -0.00052   0.00436   0.03245   0.03684  -1.60470
   D62        2.51529   0.00128   0.00428   0.03694   0.04118   2.55647
   D63        0.45472   0.00024   0.00424   0.03023   0.03443   0.48915
   D64        0.89286  -0.00132   0.00447  -0.02168  -0.01714   0.87572
   D65       -1.23349   0.00047   0.00439  -0.01718  -0.01280  -1.24629
   D66        2.98912  -0.00056   0.00435  -0.02389  -0.01955   2.96957
   D67       -0.58287   0.00003   0.00304   0.00331   0.00637  -0.57650
   D68        2.54903   0.00176   0.00446   0.04957   0.05404   2.60307
   D69        1.52426  -0.00070   0.00273  -0.01574  -0.01302   1.51124
   D70       -1.62702   0.00104   0.00416   0.03052   0.03465  -1.59237
   D71       -2.66275   0.00022   0.00274   0.01106   0.01381  -2.64894
   D72        0.46916   0.00196   0.00416   0.05732   0.06147   0.53063
   D73        1.06122  -0.00044  -0.00163   0.04238   0.04078   1.10201
   D74       -3.05015  -0.00109  -0.00187   0.03067   0.02879  -3.02136
   D75       -0.99955  -0.00097  -0.00126   0.04568   0.04445  -0.95509
   D76       -1.04360   0.00222  -0.00175   0.05711   0.05544  -0.98816
   D77        1.12822   0.00157  -0.00199   0.04541   0.04344   1.17166
   D78       -3.10437   0.00170  -0.00138   0.06042   0.05911  -3.04526
   D79        3.12488   0.00050  -0.00147   0.03704   0.03551  -3.12279
   D80       -0.98649  -0.00015  -0.00172   0.02534   0.02352  -0.96297
   D81        1.06411  -0.00002  -0.00111   0.04035   0.03918   1.10330
   D82        3.12703  -0.00204  -0.00043  -0.01591  -0.01635   3.11068
   D83        0.11452  -0.00014  -0.00286  -0.01101  -0.01389   0.10064
   D84       -0.02410  -0.00033   0.00098   0.02959   0.03058   0.00648
   D85       -3.03660   0.00157  -0.00146   0.03449   0.03304  -3.00356
   D86        2.57251   0.00123   0.00143  -0.01691  -0.01549   2.55702
   D87       -1.53867   0.00415   0.00162  -0.02081  -0.01918  -1.55785
   D88        0.53208   0.00034   0.00149  -0.01999  -0.01850   0.51358
   D89       -0.69241  -0.00049   0.00376  -0.02132  -0.01757  -0.70998
   D90        1.47960   0.00244   0.00395  -0.02522  -0.02126   1.45834
   D91       -2.73284  -0.00137   0.00382  -0.02439  -0.02057  -2.75341
   D92        1.05817  -0.00037  -0.00029   0.00567   0.00539   1.06356
   D93       -1.09567  -0.00026  -0.00050   0.00882   0.00832  -1.08735
   D94       -3.07250  -0.00021  -0.00053   0.00931   0.00877  -3.06373
   D95       -1.10035   0.00038  -0.00034   0.01243   0.01209  -1.08826
   D96        3.02900   0.00049  -0.00055   0.01557   0.01502   3.04402
   D97        1.05216   0.00054  -0.00059   0.01606   0.01547   1.06764
   D98        3.09657  -0.00028   0.00000   0.01094   0.01094   3.10752
   D99        0.94273  -0.00017  -0.00020   0.01408   0.01388   0.95661
   D100      -1.03410  -0.00012  -0.00024   0.01457   0.01433  -1.01977
   D101       1.27958  -0.00622   0.00164   0.00290   0.00453   1.28412
   D102      -0.84463  -0.00312   0.00126  -0.00503  -0.00378  -0.84841
   D103      -2.86205  -0.00481   0.00125  -0.00350  -0.00224  -2.86429
   D104      -2.85887  -0.00240   0.00184  -0.00425  -0.00242  -2.86129
   D105       1.30010   0.00070   0.00145  -0.01218  -0.01073   1.28937
   D106      -0.71731  -0.00100   0.00144  -0.01065  -0.00920  -0.72651
   D107      -0.78077  -0.00164   0.00146  -0.00140   0.00005  -0.78071
   D108      -2.90498   0.00146   0.00107  -0.00933  -0.00826  -2.91324
   D109       1.36079  -0.00024   0.00107  -0.00780  -0.00672   1.35407
   D110      -1.64868   0.00007  -0.00061   0.00848   0.00787  -1.64081
   D111       1.50051   0.00010  -0.00065   0.00963   0.00898   1.50949
   D112       0.49335  -0.00003  -0.00038   0.00567   0.00529   0.49864
   D113      -2.64064   0.00000  -0.00042   0.00681   0.00640  -2.63424
   D114       2.49535  -0.00019  -0.00035   0.00523   0.00487   2.50022
   D115      -0.63865  -0.00016  -0.00039   0.00638   0.00598  -0.63266
   D116       3.13905   0.00001  -0.00004   0.00056   0.00052   3.13957
   D117      -0.01883   0.00003  -0.00016  -0.00050  -0.00066  -0.01948
   D118      -0.01007  -0.00002   0.00000  -0.00058  -0.00058  -0.01065
   D119       3.11524  -0.00001  -0.00012  -0.00163  -0.00176   3.11349
   D120      -3.13851  -0.00002   0.00007  -0.00035  -0.00029  -3.13880
   D121       0.00757   0.00001   0.00001   0.00135   0.00136   0.00893
   D122       0.01064   0.00001   0.00003   0.00079   0.00082   0.01146
   D123      -3.12647   0.00005  -0.00003   0.00250   0.00247  -3.12400
   D124       0.00186   0.00001  -0.00003  -0.00003  -0.00007   0.00179
   D125       3.13888   0.00001  -0.00009  -0.00105  -0.00114   3.13774
   D126      -3.12353   0.00000   0.00009   0.00102   0.00111  -3.12242
   D127       0.01349   0.00000   0.00003   0.00000   0.00004   0.01353
   D128       0.00584   0.00000   0.00004   0.00043   0.00047   0.00631
   D129      -3.14108  -0.00001  -0.00001  -0.00110  -0.00111   3.14099
   D130      -3.13118   0.00000   0.00009   0.00145   0.00154  -3.12964
   D131       0.00509  -0.00001   0.00004  -0.00008  -0.00004   0.00505
   D132      -0.00526  -0.00001  -0.00001  -0.00022  -0.00023  -0.00549
   D133       3.13406  -0.00001  -0.00002  -0.00097  -0.00099   3.13307
   D134      -3.14153   0.00000   0.00004   0.00131   0.00136  -3.14017
   D135      -0.00220  -0.00001   0.00003   0.00056   0.00059  -0.00161
   D136      -0.00301   0.00000  -0.00002  -0.00040  -0.00042  -0.00343
   D137       3.13412  -0.00003   0.00003  -0.00209  -0.00206   3.13206
   D138       3.14085   0.00001  -0.00001   0.00035   0.00034   3.14119
   D139      -0.00520  -0.00003   0.00005  -0.00134  -0.00130  -0.00650
   D140      -1.70087  -0.00011  -0.00134  -0.00747  -0.00878  -1.70965
   D141       2.59796  -0.00202  -0.00178  -0.01766  -0.01946   2.57849
   D142       0.39277  -0.00190  -0.00120  -0.00693  -0.00813   0.38464
   D143       0.43919  -0.00076  -0.00103  -0.00063  -0.00163   0.43755
   D144      -1.54517  -0.00267  -0.00147  -0.01083  -0.01232  -1.55749
   D145       2.53283  -0.00255  -0.00089  -0.00009  -0.00099   2.53184
   D146       2.45029   0.00101  -0.00104   0.00162   0.00061   2.45090
   D147       0.46594  -0.00090  -0.00148  -0.00858  -0.01008   0.45585
   D148      -1.73925  -0.00078  -0.00090   0.00216   0.00125  -1.73800
   D149       1.75077  -0.00345  -0.00397   0.05913   0.05517   1.80594
   D150      -2.42556   0.00378  -0.00262   0.07468   0.07206  -2.35350
   D151      -0.37024  -0.00008  -0.00371   0.06553   0.06181  -0.30843
   D152      -1.12731  -0.00065   0.00481  -0.03846  -0.03366  -1.16097
   D153       2.98115  -0.00184   0.00551  -0.03489  -0.02937   2.95178
   D154       0.99229  -0.00095   0.00558  -0.03252  -0.02690   0.96539
   D155       3.11381  -0.00025   0.00367  -0.05070  -0.04706   3.06675
   D156       0.93909  -0.00145   0.00437  -0.04714  -0.04277   0.89631
   D157      -1.04977  -0.00055   0.00444  -0.04476  -0.04030  -1.09008
   D158       1.08297   0.00025   0.00428  -0.04926  -0.04501   1.03796
   D159      -1.09175  -0.00095   0.00499  -0.04570  -0.04072  -1.13247
   D160      -3.08061  -0.00005   0.00506  -0.04332  -0.03825  -3.11886
   D161       2.92531   0.00206   0.00029  -0.00273  -0.00244   2.92287
   D162      -1.22254   0.00228   0.00043   0.01655   0.01701  -1.20553
   D163       0.78464   0.00227   0.00053   0.01836   0.01887   0.80351
   D164      -1.22982  -0.00193  -0.00108  -0.01884  -0.01992  -1.24974
   D165       0.90551  -0.00172  -0.00093   0.00045  -0.00047   0.90504
   D166       2.91269  -0.00173  -0.00084   0.00226   0.00139   2.91408
   D167       0.81186  -0.00047  -0.00047  -0.01387  -0.01434   0.79752
   D168       2.94719  -0.00025  -0.00033   0.00542   0.00511   2.95231
   D169      -1.32881  -0.00026  -0.00024   0.00723   0.00698  -1.32184
   D170       1.26971  -0.00537  -0.00321  -0.06401  -0.06721   1.20250
   D171      -1.11429  -0.00240  -0.00051  -0.07573  -0.07624  -1.19053
   D172      -0.88833  -0.00392  -0.00276  -0.06254  -0.06531  -0.95364
   D173       3.01085  -0.00095  -0.00006  -0.07427  -0.07434   2.93651
   D174      -2.97787  -0.00407  -0.00329  -0.06370  -0.06699  -3.04486
   D175       0.92131  -0.00110  -0.00060  -0.07542  -0.07602   0.84530
   D176       1.65834   0.00028   0.00059   0.04897   0.04957   1.70791
   D177      -1.48534   0.00026   0.00056   0.04359   0.04416  -1.44118
   D178      -0.48264  -0.00001   0.00039   0.03170   0.03205  -0.45059
   D179       2.65686  -0.00003   0.00037   0.02632   0.02665   2.68351
   D180      -2.48881  -0.00018   0.00042   0.02690   0.02734  -2.46147
   D181       0.65069  -0.00021   0.00039   0.02152   0.02193   0.67262
   D182       3.13546   0.00000  -0.00013  -0.00336  -0.00351   3.13195
   D183      -0.01350  -0.00002  -0.00018  -0.00328  -0.00348  -0.01698
   D184      -0.00406   0.00003  -0.00010   0.00199   0.00188  -0.00218
   D185       3.13017   0.00001  -0.00016   0.00207   0.00191   3.13208
   D186      -3.13542   0.00001   0.00009   0.00297   0.00304  -3.13238
   D187       0.00716   0.00001   0.00015   0.00396   0.00409   0.01125
   D188       0.00408  -0.00002   0.00007  -0.00240  -0.00232   0.00176
   D189      -3.13652  -0.00002   0.00012  -0.00140  -0.00127  -3.13779
   D190       0.00097  -0.00002   0.00007  -0.00029  -0.00023   0.00074
   D191       3.14134  -0.00002   0.00007   0.00013   0.00020   3.14154
   D192      -3.13319   0.00000   0.00012  -0.00039  -0.00028  -3.13348
   D193       0.00718   0.00000   0.00012   0.00003   0.00015   0.00733
   D194       0.00211   0.00000   0.00001  -0.00099  -0.00098   0.00113
   D195      -3.14060   0.00000   0.00002   0.00017   0.00020  -3.14040
   D196      -3.13826   0.00000   0.00001  -0.00141  -0.00141  -3.13967
   D197       0.00221   0.00000   0.00002  -0.00025  -0.00023   0.00198
   D198      -0.00209   0.00001  -0.00004   0.00057   0.00053  -0.00155
   D199       3.13917   0.00000  -0.00005   0.00076   0.00071   3.13988
   D200       3.14062   0.00001  -0.00006  -0.00059  -0.00064   3.13998
   D201      -0.00130   0.00001  -0.00007  -0.00040  -0.00047  -0.00177
   D202      -0.00101   0.00000   0.00000   0.00112   0.00112   0.00011
   D203       3.13959   0.00000  -0.00005   0.00013   0.00008   3.13967
   D204       3.14091   0.00001   0.00001   0.00094   0.00095  -3.14132
   D205      -0.00167   0.00001  -0.00004  -0.00005  -0.00010  -0.00176
   D206       0.71562  -0.00139   0.00469  -0.06730  -0.06257   0.65305
   D207      -2.52629   0.00280   0.00574  -0.01955  -0.01385  -2.54014
   D208       3.07655  -0.00346   0.00191  -0.05698  -0.05503   3.02152
   D209      -0.16537   0.00073   0.00296  -0.00923  -0.00631  -0.17167
   D210       3.08070  -0.00805  -0.00172  -0.01157  -0.01339   3.06731
   D211      -0.15125  -0.00417  -0.00080   0.03090   0.03021  -0.12104
   D212      -1.42144  -0.00254   0.00518   0.01668   0.02186  -1.39959
   D213       2.77721  -0.00097   0.00457   0.00665   0.01122   2.78843
   D214       0.74274  -0.00148   0.00447   0.01294   0.01741   0.76015
   D215      -1.29141   0.00003  -0.00401   0.03264   0.02864  -1.26277
   D216       1.76803  -0.00027  -0.00519   0.05777   0.05254   1.82057
   D217       0.66196  -0.00105  -0.00360   0.03812   0.03455   0.69652
   D218      -2.56178  -0.00135  -0.00479   0.06325   0.05846  -2.50332
   D219       2.87531  -0.00002  -0.00340   0.03503   0.03165   2.90696
   D220      -0.34843  -0.00032  -0.00458   0.06016   0.05556  -0.29288
   D221       3.07930  -0.00026  -0.00117   0.01064   0.00960   3.08890
   D222      -0.05368  -0.00040  -0.00105  -0.00244  -0.00339  -0.05707
   D223       0.01218  -0.00008  -0.00009  -0.01169  -0.01175   0.00043
   D224      -3.12080  -0.00022   0.00004  -0.02477  -0.02473   3.13765
   D225      -3.09026   0.00064   0.00126   0.00418   0.00560  -3.08466
   D226      -0.01606   0.00033   0.00031   0.02524   0.02555   0.00949
   D227       0.00084  -0.00032  -0.00029  -0.01502  -0.01525  -0.01441
   D228       3.13463  -0.00020  -0.00040  -0.00317  -0.00348   3.13115
   D229      -0.01360   0.00057   0.00053   0.03462   0.03513   0.02153
   D230      -3.13439   0.00014  -0.00025  -0.03700  -0.03722   3.11158
   D231       0.01751  -0.00052  -0.00049  -0.03538  -0.03587  -0.01836
   D232       3.13914  -0.00012   0.00025   0.03333   0.03358  -3.11047
   D233      -1.14374   0.00097  -0.00050   0.03684   0.03636  -1.10739
   D234       0.95063   0.00085  -0.00046   0.03484   0.03439   0.98502
   D235       3.08046  -0.00032   0.00051   0.01215   0.01276   3.09322
   D236       2.97953   0.00008  -0.00032   0.04117   0.04078   3.02032
   D237      -1.20928  -0.00004  -0.00028   0.03917   0.03881  -1.17046
   D238       0.92055  -0.00121   0.00069   0.01648   0.01719   0.93773
   D239       0.90277   0.00055  -0.00056   0.03315   0.03256   0.93533
   D240       2.99714   0.00043  -0.00052   0.03115   0.03060   3.02774
   D241      -1.15622  -0.00074   0.00045   0.00845   0.00897  -1.14725
   D242       2.99015   0.00047   0.00149   0.03423   0.03575   3.02589
   D243      -1.22653   0.00043   0.00136   0.03843   0.03982  -1.18671
   D244       0.90587   0.00060   0.00127   0.03296   0.03426   0.94013
   D245      -1.10221  -0.00068   0.00110   0.01314   0.01421  -1.08800
   D246       0.96430  -0.00072   0.00096   0.01734   0.01829   0.98258
   D247       3.09670  -0.00055   0.00087   0.01187   0.01273   3.10943
   D248       0.96488   0.00003   0.00094   0.02001   0.02093   0.98580
   D249       3.03139  -0.00001   0.00081   0.02421   0.02500   3.05638
   D250      -1.11940   0.00016   0.00072   0.01874   0.01944  -1.09996
   D251       0.00543  -0.00009   0.00032   0.00477   0.00509   0.01053
   D252       3.14115  -0.00001   0.00000   0.01120   0.01126  -3.13077
         Item               Value     Threshold  Converged?
 Maximum Force            0.014047     0.000450     NO 
 RMS     Force            0.001599     0.000300     NO 
 Maximum Displacement     0.815056     0.001800     NO 
 RMS     Displacement     0.152949     0.001200     NO 
 Predicted change in Energy=-1.703909D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.283782   -2.356100    1.348161
      2          6           0       -9.104742   -1.390490    0.173240
      3          6           0      -10.149289   -0.270564    0.192532
      4          6           0       -7.726722   -0.810472    0.182088
      5          7           0       -6.814621   -0.955302   -0.750009
      6          6           0       -5.608511   -0.280997   -0.429968
      7          6           0       -4.479426   -0.392485   -1.414095
      8          7           0       -3.960441    0.912096   -1.890619
      9          6           0       -4.921902    1.662772   -2.746396
     10          6           0       -3.126069    1.716016   -1.066293
     11          8           0       -2.942946    2.905929   -1.290144
     12          7           0       -2.415196    1.054571   -0.028242
     13          6           0       -1.251931    1.769826    0.523857
     14          6           0        0.007676    1.338801   -0.252959
     15          8           0        0.150941    0.211126   -0.709949
     16          7           0        1.005187    2.296438   -0.368786
     17          6           0        2.293260    2.004528   -1.059808
     18          6           0        2.795449    3.283838   -1.764813
     19          6           0        3.063019    4.435895   -0.834461
     20          6           0        2.065158    5.397177   -0.601612
     21          6           0        2.309518    6.466692    0.263473
     22          6           0        3.548720    6.588358    0.901028
     23          6           0        4.547053    5.638493    0.663649
     24          6           0        4.308921    4.566680   -0.201601
     25          6           0        3.332291    1.435882   -0.063829
     26          6           0        3.006973   -0.013926    0.325864
     27          8           0        2.312105   -0.010424    1.592060
     28          6           0        4.256421   -0.898058    0.619820
     29          6           0        5.102216   -1.128190   -0.644425
     30          6           0        6.451310   -1.715550   -0.316585
     31          6           0        6.667999   -3.098245   -0.427465
     32          6           0        7.923746   -3.635483   -0.133371
     33          6           0        8.969664   -2.800230    0.273231
     34          6           0        8.755187   -1.422978    0.386442
     35          6           0        7.501384   -0.878906    0.093240
     36          7           0        3.763508   -2.162229    1.230145
     37          6           0        3.045576   -3.047814    0.443382
     38          8           0        3.190113   -3.348387   -0.722846
     39          8           0        2.082928   -3.652813    1.256857
     40          6           0        1.157029   -4.555954    0.577569
     41          6           0        0.110632   -3.741784   -0.079302
     42          6           0       -0.934426   -3.041453    0.472140
     43          7           0       -1.717818   -2.309536   -0.442272
     44          6           0       -1.268042   -2.433439   -1.675630
     45         16           0        0.132825   -3.489716   -1.798060
     46          6           0       -1.137338    1.430241    2.034841
     47          6           0       -0.874918   -0.049813    2.260836
     48          6           0       -0.047015    2.282099    2.691022
     49          6           0       -5.613362    0.393619    0.758120
     50         16           0       -7.155442    0.209485    1.527984
     51          1           0      -10.257356   -2.858471    1.298101
     52          1           0       -8.512112   -3.136651    1.346163
     53          1           0       -9.231888   -1.846925    2.317276
     54          1           0       -9.226091   -1.973209   -0.784641
     55          1           0      -10.128138    0.300453    1.128135
     56          1           0       -9.991701    0.438678   -0.629545
     57          1           0      -11.161612   -0.677925    0.084498
     58          1           0       -3.647066   -0.987261   -0.962261
     59          1           0       -4.815919   -0.973246   -2.312480
     60          1           0       -5.068784    1.107499   -3.686973
     61          1           0       -4.509936    2.660489   -2.997482
     62          1           0       -5.900460    1.807513   -2.261107
     63          1           0       -2.268592    0.037643   -0.106348
     64          1           0       -1.426433    2.879452    0.404756
     65          1           0        0.939373    3.191124    0.109575
     66          1           0        2.092987    1.225100   -1.855409
     67          1           0        2.050834    3.583280   -2.536728
     68          1           0        3.710589    3.037078   -2.342468
     69          1           0        1.102758    5.320719   -1.107657
     70          1           0        1.533113    7.211053    0.437365
     71          1           0        3.736857    7.422383    1.573821
     72          1           0        5.515947    5.734449    1.152203
     73          1           0        5.095508    3.838263   -0.386173
     74          1           0        3.384729    2.060947    0.852552
     75          1           0        4.340379    1.496790   -0.515632
     76          1           0        2.358380   -0.499806   -0.446064
     77          1           0        1.337034   -0.167210    1.436325
     78          1           0        4.885933   -0.409657    1.413412
     79          1           0        4.559769   -1.782615   -1.368681
     80          1           0        5.235007   -0.160526   -1.173718
     81          1           0        5.848167   -3.751282   -0.737933
     82          1           0        8.087339   -4.708344   -0.220657
     83          1           0        9.946267   -3.220748    0.500438
     84          1           0        9.566930   -0.771439    0.704125
     85          1           0        7.344012    0.192154    0.185909
     86          1           0        3.371658   -1.999783    2.168328
     87          1           0        0.780210   -5.168475    1.421374
     88          1           0        1.727663   -5.193147   -0.130282
     89          1           0       -1.208299   -3.003816    1.521968
     90          1           0       -1.719706   -1.985965   -2.551721
     91          1           0       -2.129518    1.682384    2.498002
     92          1           0       -1.708776   -0.665584    1.903687
     93          1           0        0.031113   -0.387248    1.729347
     94          1           0       -0.746937   -0.271242    3.327605
     95          1           0       -0.036216    2.136481    3.779162
     96          1           0        0.961353    2.017185    2.337150
     97          1           0       -0.194837    3.352303    2.515585
     98          1           0       -4.811461    0.967205    1.197442
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0772485      0.0289757      0.0230240
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3636.4258095073 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.249464461582     A.U. after   19 cycles
             Convg  =    0.6479D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000160911    0.000292660    0.000322558
      2        6           0.000607321    0.000312014    0.000099804
      3        6           0.000247388    0.000260897    0.000010779
      4        6          -0.000383624    0.000117621   -0.001125321
      5        7           0.000095988    0.000519362    0.000872619
      6        6           0.000226888   -0.001125791   -0.000328849
      7        6           0.000773174    0.001145874   -0.000313539
      8        7           0.003151505   -0.000322397   -0.001992631
      9        6          -0.000527712   -0.000844120   -0.000149608
     10        6          -0.005021124    0.004292247   -0.003358542
     11        8           0.003746381   -0.001458494   -0.001326079
     12        7           0.005103295    0.002836763    0.000666685
     13        6          -0.000425799   -0.002902519   -0.002460588
     14        6          -0.002447260   -0.005560249    0.001626029
     15        8          -0.001164279    0.001723222   -0.001717241
     16        7          -0.002097720    0.002137932   -0.001613552
     17        6          -0.000095132    0.000147710    0.002198775
     18        6          -0.000078404   -0.000921709   -0.000026273
     19        6           0.000179907    0.000044074   -0.000347939
     20        6          -0.000574616    0.000161941   -0.000119405
     21        6          -0.000295553   -0.000077601    0.000048527
     22        6           0.000110915    0.000313640   -0.000161425
     23        6           0.000006981    0.000281288   -0.000058113
     24        6           0.000323514    0.000001195   -0.000022621
     25        6           0.000618469    0.002249841    0.000754236
     26        6           0.000615806   -0.001339665   -0.003898514
     27        8          -0.002323293   -0.002328713   -0.002837447
     28        6          -0.001858254   -0.003102090   -0.004872591
     29        6          -0.001460644   -0.002379808    0.000195141
     30        6           0.001120628    0.000702724    0.000056340
     31        6           0.001205959    0.000103351   -0.000327943
     32        6           0.000486826    0.000065050   -0.000175177
     33        6           0.000189799   -0.000093049   -0.000222386
     34        6           0.000106776    0.000211000    0.000054397
     35        6          -0.000067036    0.000328978    0.000357510
     36        7          -0.005082980   -0.008338624    0.004159812
     37        6           0.003725236    0.011463466   -0.002046182
     38        8          -0.001193552    0.002441723    0.000247881
     39        8          -0.000551472    0.003932577    0.001154589
     40        6           0.000564571   -0.000538546   -0.000834615
     41        6           0.001535867    0.000042886    0.001957312
     42        6          -0.002211562    0.001035167   -0.000136474
     43        7          -0.001987021   -0.000597463    0.000734985
     44        6           0.001423136    0.004575424    0.002000485
     45       16          -0.000885229   -0.002222252   -0.001281912
     46        6           0.001300205   -0.005442294   -0.001190912
     47        6           0.000042755    0.001158992    0.005866909
     48        6           0.000432854   -0.000401475   -0.000521014
     49        6          -0.000897251    0.000133319   -0.000696973
     50       16           0.000333968   -0.000592169    0.001192491
     51        1          -0.000071968   -0.000120337   -0.000149149
     52        1           0.000041611    0.000030410   -0.000028211
     53        1           0.000133514   -0.000176322    0.000175103
     54        1           0.000107299    0.000002319   -0.000008274
     55        1           0.000274806   -0.000077174    0.000006592
     56        1           0.000099890    0.000029631   -0.000086446
     57        1          -0.000045471   -0.000065351    0.000000687
     58        1          -0.000427026    0.000411695    0.001136754
     59        1          -0.000357848   -0.000365527    0.000090906
     60        1          -0.000060100   -0.000053883    0.000174273
     61        1          -0.000140960    0.000167924    0.000526155
     62        1           0.000004815   -0.000022274   -0.000037585
     63        1          -0.000543817    0.002535490    0.001991814
     64        1          -0.000212117   -0.000702665   -0.000102981
     65        1           0.000716834   -0.000614377   -0.000266677
     66        1           0.001163014   -0.001284969    0.000776534
     67        1          -0.000101468   -0.000118426    0.000308945
     68        1          -0.000079165   -0.000113250   -0.000134892
     69        1          -0.000131111   -0.000158329    0.000104751
     70        1          -0.000008756    0.000038885    0.000052127
     71        1           0.000002978   -0.000025897    0.000053975
     72        1           0.000049613    0.000001357    0.000006881
     73        1           0.000103080   -0.000042314    0.000003270
     74        1           0.000616815    0.000763109    0.000298685
     75        1          -0.000446147   -0.000052853    0.000020298
     76        1           0.000815022   -0.000392069    0.000274994
     77        1          -0.000541137   -0.000626053   -0.000869123
     78        1          -0.000047800   -0.000683126   -0.000497449
     79        1           0.000042956   -0.000004980    0.000682555
     80        1           0.000154684    0.000638077   -0.000110392
     81        1          -0.000087817   -0.000850424   -0.000096854
     82        1           0.000061542   -0.000011390    0.000014633
     83        1          -0.000029500   -0.000025954    0.000047236
     84        1          -0.000013936   -0.000020528   -0.000007915
     85        1           0.000061764    0.000011152   -0.000066950
     86        1           0.001025163   -0.002241776    0.003838893
     87        1           0.000632567   -0.000541591   -0.000290266
     88        1           0.000194668   -0.000237983    0.000631778
     89        1          -0.000209519    0.000132206    0.000007922
     90        1           0.000095635   -0.001819705   -0.001886433
     91        1          -0.000293395   -0.001270474   -0.000753357
     92        1          -0.000072423    0.001707359    0.000271635
     93        1           0.000941235    0.002975324    0.002465514
     94        1          -0.000956076    0.000237154    0.000179510
     95        1           0.000144276    0.000326746   -0.000220350
     96        1           0.000309380    0.000200220    0.000689843
     97        1           0.000196217    0.000024871    0.000068407
     98        1           0.000402493    0.000042160    0.000298637
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.011463466 RMS     0.001637287

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.017514100 RMS     0.002714779
 Search for a local minimum.
 Step number  45 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   40   39   41   43   42
                                                     45   44
 DE=  9.47D-04 DEPred=-1.70D-03 R=-5.56D-01
 Trust test=-5.56D-01 RLast= 4.37D-01 DXMaxT set to 2.21D-01
 Use linear search instead of GDIIS.
 Quartic linear search produced a step of -0.55258.
 Iteration  1 RMS(Cart)=  0.08427874 RMS(Int)=  0.00094357
 Iteration  2 RMS(Cart)=  0.00231941 RMS(Int)=  0.00002343
 Iteration  3 RMS(Cart)=  0.00000163 RMS(Int)=  0.00002343
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002343
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89375   0.00032   0.00059   0.00000   0.00059   2.89434
    R2        2.07245  -0.00017  -0.00048   0.00000  -0.00048   2.07196
    R3        2.07417  -0.00004  -0.00039   0.00000  -0.00039   2.07378
    R4        2.07107   0.00027   0.00057   0.00000   0.00057   2.07165
    R5        2.89423   0.00049  -0.00015   0.00000  -0.00015   2.89408
    R6        2.82540   0.00128   0.00185   0.00000   0.00185   2.82725
    R7        2.13114  -0.00002   0.00030   0.00000   0.00030   2.13144
    R8        2.07170   0.00015   0.00024   0.00000   0.00024   2.07194
    R9        2.07325   0.00008   0.00028   0.00000   0.00028   2.07354
   R10        2.07217  -0.00008   0.00002   0.00000   0.00002   2.07219
   R11        2.47958   0.00033   0.00013   0.00000   0.00013   2.47971
   R12        3.36886   0.00063   0.00121   0.00000   0.00121   3.37007
   R13        2.68036   0.00100   0.00072   0.00000   0.00072   2.68108
   R14        2.83822   0.00119   0.00304   0.00000   0.00304   2.84126
   R15        2.58187   0.00007  -0.00067   0.00000  -0.00067   2.58120
   R16        2.80187   0.00168  -0.00067   0.00000  -0.00067   2.80120
   R17        2.11340   0.00096  -0.00061   0.00000  -0.00061   2.11279
   R18        2.11920  -0.00036   0.00013   0.00000   0.00013   2.11933
   R19        2.81580  -0.00098  -0.00304   0.00000  -0.00304   2.81277
   R20        2.68712   0.00056  -0.00249   0.00000  -0.00249   2.68463
   R21        2.08264  -0.00011   0.00009   0.00000   0.00009   2.08273
   R22        2.09427  -0.00048  -0.00027   0.00000  -0.00027   2.09400
   R23        2.08216  -0.00001   0.00040   0.00000   0.00040   2.08256
   R24        2.31407   0.00262   0.00190   0.00000   0.00190   2.31597
   R25        2.68607   0.00555  -0.00033   0.00000  -0.00033   2.68574
   R26        2.78348   0.01019   0.00842   0.00000   0.00842   2.79190
   R27        1.94718   0.00305  -0.00275   0.00000  -0.00275   1.94443
   R28        2.91278   0.00768   0.00153   0.00000   0.00153   2.91430
   R29        2.93457   0.00655   0.00561   0.00000   0.00561   2.94018
   R30        2.13456   0.00041   0.00040   0.00000   0.00040   2.13496
   R31        2.31522   0.00174   0.00170   0.00000   0.00170   2.31691
   R32        2.62224   0.00298  -0.00058   0.00000  -0.00058   2.62166
   R33        2.81680   0.00294  -0.00043   0.00000  -0.00043   2.81637
   R34        1.92123   0.00089   0.00131   0.00000   0.00131   1.92255
   R35        2.91891   0.00060  -0.00056   0.00000  -0.00056   2.91836
   R36        2.92445   0.00028  -0.00063   0.00000  -0.00063   2.92382
   R37        2.13848  -0.00162  -0.00050   0.00000  -0.00050   2.13798
   R38        2.84364  -0.00061  -0.00053   0.00000  -0.00053   2.84311
   R39        2.10428  -0.00032  -0.00077   0.00000  -0.00077   2.10351
   R40        2.09756   0.00011   0.00049   0.00000   0.00049   2.09805
   R41        2.65505  -0.00072  -0.00059   0.00000  -0.00059   2.65446
   R42        2.65228  -0.00041   0.00004   0.00000   0.00004   2.65232
   R43        2.64018  -0.00020   0.00014   0.00000   0.00014   2.64031
   R44        2.05984  -0.00022  -0.00016   0.00000  -0.00016   2.05968
   R45        2.64353  -0.00041  -0.00033   0.00000  -0.00033   2.64319
   R46        2.05895  -0.00003  -0.00005   0.00000  -0.00005   2.05889
   R47        2.64242  -0.00019   0.00013   0.00000   0.00013   2.64255
   R48        2.05594   0.00003   0.00006   0.00000   0.00006   2.05600
   R49        2.64166  -0.00035  -0.00034   0.00000  -0.00034   2.64132
   R50        2.05854  -0.00003  -0.00010   0.00000  -0.00010   2.05845
   R51        2.05570  -0.00011  -0.00002   0.00000  -0.00002   2.05569
   R52        2.90283  -0.00432  -0.00096   0.00000  -0.00096   2.90186
   R53        2.09854  -0.00038   0.00060   0.00000   0.00060   2.09915
   R54        2.09076   0.00039   0.00074   0.00000   0.00074   2.09150
   R55        2.72940  -0.00369   0.00100   0.00000   0.00100   2.73040
   R56        2.94532   0.00418  -0.00076   0.00000  -0.00076   2.94456
   R57        2.11499  -0.00022  -0.00200   0.00000  -0.00200   2.11299
   R58        1.88935  -0.00082  -0.00024   0.00000  -0.00024   1.88911
   R59        2.90714  -0.00191  -0.00074   0.00000  -0.00074   2.90640
   R60        2.81156   0.01061   0.00724   0.00000   0.00724   2.81879
   R61        2.12509   0.00048   0.00273   0.00000   0.00273   2.12782
   R62        2.84874  -0.00301  -0.00330   0.00000  -0.00330   2.84544
   R63        2.11030  -0.00013   0.00209   0.00000   0.00209   2.11239
   R64        2.09935  -0.00018  -0.00168   0.00000  -0.00168   2.09767
   R65        2.65309  -0.00169  -0.00070   0.00000  -0.00070   2.65240
   R66        2.65275  -0.00055  -0.00050   0.00000  -0.00050   2.65226
   R67        2.64022  -0.00059  -0.00042   0.00000  -0.00042   2.63981
   R68        2.06575  -0.00081  -0.00075   0.00000  -0.00075   2.06500
   R69        2.64353   0.00005   0.00028   0.00000   0.00028   2.64382
   R70        2.05747  -0.00003  -0.00022   0.00000  -0.00022   2.05725
   R71        2.64267  -0.00018  -0.00006   0.00000  -0.00006   2.64261
   R72        2.05469   0.00005  -0.00002   0.00000  -0.00002   2.05467
   R73        2.64157  -0.00027  -0.00022   0.00000  -0.00022   2.64134
   R74        2.05655   0.00003   0.00002   0.00000   0.00002   2.05657
   R75        2.05322   0.00005   0.00005   0.00000   0.00005   2.05328
   R76        2.61758   0.01751   0.01399   0.00000   0.01399   2.63158
   R77        1.94570   0.00428   0.00735   0.00000   0.00735   1.95306
   R78        2.29220   0.00182   0.00082   0.00000   0.00082   2.29302
   R79        2.64187   0.00188  -0.00154   0.00000  -0.00154   2.64033
   R80        2.76080  -0.00042  -0.00181   0.00000  -0.00181   2.75899
   R81        2.79609  -0.00251  -0.00137   0.00000  -0.00137   2.79472
   R82        2.09511  -0.00022   0.00014   0.00000   0.00014   2.09526
   R83        2.09810  -0.00045  -0.00112   0.00000  -0.00112   2.09697
   R84        2.59567  -0.00352  -0.00174   0.00000  -0.00172   2.59396
   R85        3.28299   0.00082   0.00105   0.00000   0.00106   3.28406
   R86        2.66281  -0.00093  -0.00069   0.00000  -0.00068   2.66212
   R87        2.05152  -0.00013   0.00045   0.00000   0.00045   2.05196
   R88        2.49188  -0.00004  -0.00182   0.00000  -0.00184   2.49004
   R89        3.32352  -0.00001   0.00344   0.00000   0.00343   3.32695
   R90        2.04560   0.00120   0.00059   0.00000   0.00059   2.04618
   R91        2.87244   0.00926   0.00915   0.00000   0.00915   2.88159
   R92        2.89384  -0.00056  -0.00113   0.00000  -0.00113   2.89271
   R93        2.12333  -0.00044  -0.00012   0.00000  -0.00012   2.12320
   R94        2.07186   0.00151   0.00269   0.00000   0.00269   2.07454
   R95        2.08491  -0.00112   0.00300   0.00000   0.00300   2.08791
   R96        2.07303   0.00010  -0.00174   0.00000  -0.00174   2.07129
   R97        2.07472  -0.00032  -0.00015   0.00000  -0.00015   2.07457
   R98        2.08060  -0.00044  -0.00006   0.00000  -0.00006   2.08053
   R99        2.06834   0.00003   0.00034   0.00000   0.00034   2.06867
   R100       3.27561   0.00078   0.00186   0.00000   0.00186   3.27747
   R101       2.03972  -0.00021  -0.00049   0.00000  -0.00049   2.03924
    A1        1.93652  -0.00019  -0.00158   0.00000  -0.00158   1.93494
    A2        1.94425   0.00001   0.00053   0.00000   0.00053   1.94478
    A3        1.96055   0.00012   0.00042   0.00000   0.00042   1.96098
    A4        1.87369   0.00006  -0.00010   0.00000  -0.00010   1.87359
    A5        1.87048   0.00001  -0.00005   0.00000  -0.00004   1.87043
    A6        1.87414   0.00000   0.00080   0.00000   0.00080   1.87494
    A7        1.95163  -0.00016   0.00000   0.00000   0.00000   1.95163
    A8        1.92607  -0.00019  -0.00064   0.00000  -0.00064   1.92543
    A9        1.88945   0.00010   0.00093   0.00000   0.00093   1.89038
   A10        1.92287   0.00052   0.00216   0.00000   0.00216   1.92503
   A11        1.89141  -0.00018  -0.00153   0.00000  -0.00154   1.88987
   A12        1.88037  -0.00009  -0.00101   0.00000  -0.00101   1.87936
   A13        1.95893   0.00032   0.00218   0.00000   0.00218   1.96111
   A14        1.94476   0.00008  -0.00006   0.00000  -0.00005   1.94471
   A15        1.93557  -0.00009  -0.00056   0.00000  -0.00056   1.93501
   A16        1.87548  -0.00013  -0.00041   0.00000  -0.00041   1.87507
   A17        1.87066  -0.00015  -0.00122   0.00000  -0.00122   1.86944
   A18        1.87438  -0.00005  -0.00007   0.00000  -0.00007   1.87431
   A19        2.20638   0.00027   0.00097   0.00000   0.00097   2.20736
   A20        2.11972  -0.00010  -0.00086   0.00000  -0.00086   2.11886
   A21        1.95702  -0.00017  -0.00008   0.00000  -0.00007   1.95695
   A22        1.95879   0.00034   0.00061   0.00000   0.00062   1.95941
   A23        2.04442   0.00049  -0.00304   0.00000  -0.00304   2.04138
   A24        2.01300  -0.00045  -0.00048   0.00000  -0.00048   2.01252
   A25        2.22574  -0.00003   0.00349   0.00000   0.00349   2.22923
   A26        1.99152  -0.00077   0.00033   0.00000   0.00033   1.99184
   A27        1.91162  -0.00050   0.00088   0.00000   0.00088   1.91250
   A28        1.91537   0.00060  -0.00116   0.00000  -0.00116   1.91421
   A29        1.91482   0.00111   0.00287   0.00000   0.00287   1.91769
   A30        1.87887  -0.00014  -0.00030   0.00000  -0.00030   1.87858
   A31        1.84581  -0.00026  -0.00293   0.00000  -0.00293   1.84288
   A32        1.98450  -0.00008   0.00338   0.00000   0.00342   1.98792
   A33        2.11358   0.00117   0.00534   0.00000   0.00538   2.11896
   A34        2.01168  -0.00135   0.00068   0.00000   0.00073   2.01241
   A35        1.89898  -0.00014   0.00104   0.00000   0.00104   1.90002
   A36        1.92177  -0.00043  -0.00138   0.00000  -0.00138   1.92039
   A37        1.96740   0.00015  -0.00103   0.00000  -0.00103   1.96637
   A38        1.88575   0.00026   0.00105   0.00000   0.00105   1.88680
   A39        1.90045   0.00006   0.00090   0.00000   0.00090   1.90135
   A40        1.88774   0.00011  -0.00048   0.00000  -0.00048   1.88726
   A41        2.13074  -0.00360  -0.00486   0.00000  -0.00475   2.12599
   A42        2.04174   0.00438   0.00608   0.00000   0.00619   2.04794
   A43        2.10702  -0.00051   0.00049   0.00000   0.00060   2.10761
   A44        2.02944  -0.00077   0.00841   0.00000   0.00854   2.03798
   A45        2.06582  -0.00028   0.00797   0.00000   0.00810   2.07393
   A46        1.97718   0.00186   0.00246   0.00000   0.00262   1.97980
   A47        1.89725   0.00406   0.00423   0.00000   0.00423   1.90148
   A48        1.89314  -0.00444   0.00867   0.00000   0.00866   1.90181
   A49        1.89178  -0.00014   0.00224   0.00000   0.00222   1.89400
   A50        1.94864   0.00622  -0.00453   0.00000  -0.00449   1.94415
   A51        1.92603  -0.00559  -0.00204   0.00000  -0.00200   1.92402
   A52        1.90584  -0.00025  -0.00826   0.00000  -0.00824   1.89760
   A53        2.14234   0.00640   0.00020   0.00000   0.00029   2.14263
   A54        2.02254  -0.00995   0.00067   0.00000   0.00075   2.02329
   A55        2.11767   0.00376  -0.00054   0.00000  -0.00046   2.11721
   A56        2.12321   0.01673  -0.00063   0.00000  -0.00063   2.12258
   A57        2.11942  -0.00821  -0.00074   0.00000  -0.00074   2.11867
   A58        2.03354  -0.00784   0.00150   0.00000   0.00150   2.03504
   A59        1.90747  -0.00618   0.00222   0.00000   0.00222   1.90969
   A60        1.93241   0.01226   0.00201   0.00000   0.00201   1.93442
   A61        1.88376  -0.00125  -0.00316   0.00000  -0.00316   1.88060
   A62        1.96037  -0.00787  -0.00071   0.00000  -0.00070   1.95967
   A63        1.88294   0.00258  -0.00092   0.00000  -0.00092   1.88202
   A64        1.89464   0.00050   0.00032   0.00000   0.00032   1.89496
   A65        1.99293   0.00082   0.00052   0.00000   0.00052   1.99346
   A66        1.89833  -0.00028   0.00036   0.00000   0.00036   1.89870
   A67        1.89806  -0.00014  -0.00083   0.00000  -0.00083   1.89724
   A68        1.91943  -0.00023   0.00075   0.00000   0.00075   1.92018
   A69        1.92341  -0.00036  -0.00123   0.00000  -0.00123   1.92218
   A70        1.82382   0.00013   0.00042   0.00000   0.00042   1.82424
   A71        2.09438   0.00001   0.00049   0.00000   0.00049   2.09487
   A72        2.10361  -0.00004  -0.00022   0.00000  -0.00022   2.10340
   A73        2.08516   0.00004  -0.00027   0.00000  -0.00027   2.08489
   A74        2.09688   0.00005   0.00030   0.00000   0.00030   2.09718
   A75        2.09687   0.00000   0.00015   0.00000   0.00015   2.09702
   A76        2.08930  -0.00006  -0.00044   0.00000  -0.00044   2.08886
   A77        2.09869  -0.00002  -0.00015   0.00000  -0.00015   2.09854
   A78        2.09114  -0.00002  -0.00021   0.00000  -0.00021   2.09092
   A79        2.09334   0.00003   0.00037   0.00000   0.00037   2.09371
   A80        2.08979  -0.00006   0.00001   0.00000   0.00001   2.08980
   A81        2.09636   0.00005  -0.00005   0.00000  -0.00005   2.09631
   A82        2.09701   0.00002   0.00005   0.00000   0.00005   2.09706
   A83        2.09935  -0.00004  -0.00011   0.00000  -0.00011   2.09924
   A84        2.09330  -0.00001  -0.00041   0.00000  -0.00041   2.09289
   A85        2.09053   0.00005   0.00052   0.00000   0.00052   2.09105
   A86        2.09643   0.00003   0.00023   0.00000   0.00023   2.09666
   A87        2.09783   0.00000   0.00003   0.00000   0.00003   2.09786
   A88        2.08891  -0.00003  -0.00026   0.00000  -0.00026   2.08865
   A89        1.94753   0.01622   0.00344   0.00000   0.00344   1.95097
   A90        1.93474  -0.00519  -0.00277   0.00000  -0.00277   1.93197
   A91        1.90574  -0.00457   0.00227   0.00000   0.00228   1.90801
   A92        1.90912  -0.00306  -0.00392   0.00000  -0.00392   1.90519
   A93        1.92679  -0.00720  -0.00011   0.00000  -0.00011   1.92668
   A94        1.83689   0.00279   0.00090   0.00000   0.00090   1.83779
   A95        1.89864  -0.00006  -0.00350   0.00000  -0.00349   1.89514
   A96        1.99705  -0.00932  -0.00671   0.00000  -0.00670   1.99035
   A97        1.93638   0.00297   0.00531   0.00000   0.00530   1.94168
   A98        1.79436   0.00335   0.00011   0.00000   0.00014   1.79450
   A99        1.90381  -0.00049  -0.00110   0.00000  -0.00110   1.90271
   A100       1.92664   0.00373   0.00532   0.00000   0.00532   1.93196
   A101       1.90950  -0.00107   0.00522   0.00000   0.00522   1.91472
   A102       1.95046  -0.00289  -0.00438   0.00000  -0.00438   1.94608
   A103       1.86897   0.01128   0.01093   0.00000   0.01092   1.87989
   A104       1.91292  -0.00348  -0.00359   0.00000  -0.00358   1.90933
   A105       1.97377  -0.00640  -0.00188   0.00000  -0.00188   1.97188
   A106       1.91468   0.00275   0.00126   0.00000   0.00127   1.91595
   A107       1.83900  -0.00110  -0.00220   0.00000  -0.00220   1.83679
   A108       1.95152  -0.00114  -0.00229   0.00000  -0.00227   1.94925
   A109       1.93220  -0.00031  -0.00340   0.00000  -0.00338   1.92881
   A110       1.90388   0.00081   0.00734   0.00000   0.00735   1.91123
   A111       1.92562   0.00007  -0.00521   0.00000  -0.00519   1.92042
   A112       1.91349   0.00082   0.00651   0.00000   0.00652   1.92000
   A113       1.83332  -0.00014  -0.00278   0.00000  -0.00279   1.83052
   A114       2.09980  -0.00191  -0.00432   0.00000  -0.00432   2.09548
   A115       2.09522   0.00122   0.00362   0.00000   0.00362   2.09884
   A116       2.08814   0.00069   0.00071   0.00000   0.00072   2.08886
   A117       2.09532  -0.00007  -0.00006   0.00000  -0.00006   2.09526
   A118       2.08866  -0.00023  -0.00112   0.00000  -0.00112   2.08754
   A119       2.09919   0.00030   0.00117   0.00000   0.00117   2.10036
   A120       2.09855  -0.00009  -0.00043   0.00000  -0.00043   2.09812
   A121       2.09103   0.00001   0.00045   0.00000   0.00045   2.09148
   A122       2.09361   0.00009  -0.00002   0.00000  -0.00002   2.09359
   A123       2.09081  -0.00003   0.00030   0.00000   0.00030   2.09111
   A124       2.09598   0.00002  -0.00031   0.00000  -0.00031   2.09567
   A125       2.09640   0.00001   0.00001   0.00000   0.00001   2.09641
   A126       2.09891  -0.00020  -0.00013   0.00000  -0.00013   2.09878
   A127       2.09307   0.00010   0.00008   0.00000   0.00008   2.09315
   A128       2.09121   0.00010   0.00004   0.00000   0.00004   2.09125
   A129       2.09464  -0.00030  -0.00041   0.00000  -0.00041   2.09423
   A130       2.09910   0.00009  -0.00072   0.00000  -0.00072   2.09838
   A131       2.08944   0.00022   0.00113   0.00000   0.00113   2.09058
   A132       2.07367   0.00562   0.00030   0.00000   0.00030   2.07398
   A133       1.94530  -0.00097  -0.00058   0.00000  -0.00058   1.94472
   A134       2.00553  -0.00030  -0.00284   0.00000  -0.00284   2.00269
   A135       2.26890  -0.00176   0.00103   0.00000   0.00112   2.27001
   A136       1.87870   0.00618   0.00105   0.00000   0.00113   1.87984
   A137       2.13443  -0.00471  -0.00383   0.00000  -0.00375   2.13068
   A138       2.01902  -0.00317   0.00333   0.00000   0.00333   2.02235
   A139       1.89068   0.00386  -0.00171   0.00000  -0.00171   1.88897
   A140       1.77528  -0.00028   0.00017   0.00000   0.00018   1.77546
   A141       1.90233  -0.00235   0.00107   0.00000   0.00107   1.90340
   A142       1.98397  -0.00120  -0.00460   0.00000  -0.00460   1.97937
   A143       1.97821  -0.00041   0.00233   0.00000   0.00233   1.98054
   A144       1.92074   0.00041   0.00256   0.00000   0.00256   1.92330
   A145       2.26580  -0.00088  -0.00519   0.00000  -0.00519   2.26061
   A146       2.10600   0.00024   0.00518   0.00000   0.00518   2.11118
   A147       1.91020   0.00064  -0.00064   0.00000  -0.00059   1.90961
   A148       2.01230  -0.00010   0.00120   0.00000   0.00123   2.01352
   A149       2.21161  -0.00015   0.00002   0.00000   0.00002   2.21163
   A150       2.05927   0.00025  -0.00124   0.00000  -0.00124   2.05803
   A151       1.94822   0.00100   0.00085   0.00000   0.00082   1.94904
   A152       1.97494  -0.00110  -0.00115   0.00000  -0.00100   1.97394
   A153       2.18441   0.00046   0.00102   0.00000   0.00123   2.18565
   A154       2.12266   0.00079   0.00067   0.00000   0.00088   2.12354
   A155       1.57889  -0.00041  -0.00025   0.00000  -0.00026   1.57863
   A156       1.95016   0.00362   0.01125   0.00000   0.01125   1.96141
   A157       1.92605  -0.00195  -0.00563   0.00000  -0.00560   1.92044
   A158       1.86173  -0.00082  -0.00243   0.00000  -0.00241   1.85932
   A159       1.93373   0.00105   0.00210   0.00000   0.00209   1.93582
   A160       1.88563  -0.00240  -0.00222   0.00000  -0.00223   1.88341
   A161       1.90419   0.00035  -0.00360   0.00000  -0.00359   1.90060
   A162       1.94672  -0.00016   0.00426   0.00000   0.00427   1.95099
   A163       1.94760   0.00479   0.00864   0.00000   0.00868   1.95628
   A164       1.94042   0.00021   0.00416   0.00000   0.00418   1.94460
   A165       1.87117  -0.00277  -0.00614   0.00000  -0.00613   1.86504
   A166       1.86726  -0.00033  -0.01474   0.00000  -0.01475   1.85251
   A167       1.88695  -0.00210   0.00224   0.00000   0.00229   1.88924
   A168       1.93683  -0.00044  -0.00175   0.00000  -0.00175   1.93507
   A169       1.96116  -0.00007   0.00090   0.00000   0.00090   1.96206
   A170       1.95960   0.00001   0.00071   0.00000   0.00071   1.96031
   A171       1.85212   0.00006  -0.00131   0.00000  -0.00131   1.85082
   A172       1.86490   0.00013  -0.00007   0.00000  -0.00007   1.86483
   A173       1.88330   0.00033   0.00143   0.00000   0.00143   1.88473
   A174       1.91445   0.00034   0.00064   0.00000   0.00064   1.91509
   A175       2.23152   0.00030   0.00512   0.00000   0.00512   2.23664
   A176       2.13722  -0.00063  -0.00578   0.00000  -0.00577   2.13145
   A177       1.58135  -0.00005  -0.00062   0.00000  -0.00061   1.58074
    D1        1.08755  -0.00022   0.01249   0.00000   0.01249   1.10004
    D2       -3.04876   0.00020   0.01481   0.00000   0.01481  -3.03394
    D3       -0.99482   0.00003   0.01379   0.00000   0.01379  -0.98103
    D4       -3.10918  -0.00026   0.01166   0.00000   0.01166  -3.09753
    D5       -0.96230   0.00015   0.01398   0.00000   0.01398  -0.94832
    D6        1.09164  -0.00001   0.01295   0.00000   0.01295   1.10459
    D7       -1.00577  -0.00017   0.01336   0.00000   0.01336  -0.99241
    D8        1.14112   0.00024   0.01568   0.00000   0.01568   1.15680
    D9       -3.08813   0.00008   0.01466   0.00000   0.01466  -3.07347
   D10        0.99932  -0.00002   0.00826   0.00000   0.00826   1.00758
   D11        3.10369   0.00010   0.00923   0.00000   0.00923   3.11291
   D12       -1.09247   0.00002   0.00873   0.00000   0.00873  -1.08374
   D13       -1.14938  -0.00003   0.00752   0.00000   0.00752  -1.14185
   D14        0.95499   0.00009   0.00849   0.00000   0.00849   0.96348
   D15        3.04202   0.00001   0.00799   0.00000   0.00799   3.05001
   D16        3.08053  -0.00011   0.00842   0.00000   0.00842   3.08895
   D17       -1.09829   0.00001   0.00938   0.00000   0.00938  -1.08891
   D18        0.98874  -0.00007   0.00889   0.00000   0.00889   0.99763
   D19        2.05351  -0.00014  -0.00559   0.00000  -0.00559   2.04792
   D20       -1.10039   0.00012  -0.00012   0.00000  -0.00012  -1.10051
   D21       -2.06611  -0.00012  -0.00453   0.00000  -0.00453  -2.07063
   D22        1.06318   0.00015   0.00095   0.00000   0.00095   1.06412
   D23       -0.00601  -0.00010  -0.00576   0.00000  -0.00576  -0.01177
   D24        3.12327   0.00017  -0.00029   0.00000  -0.00029   3.12298
   D25       -3.13573  -0.00013  -0.00178   0.00000  -0.00178  -3.13751
   D26        0.01720  -0.00037  -0.00682   0.00000  -0.00682   0.01038
   D27        3.13592   0.00013   0.00094   0.00000   0.00094   3.13686
   D28       -0.01637   0.00037   0.00570   0.00000   0.00570  -0.01066
   D29        3.12508   0.00007   0.00146   0.00000   0.00145   3.12653
   D30       -0.00936   0.00019   0.00483   0.00000   0.00483  -0.00453
   D31        2.16852  -0.00030  -0.01000   0.00000  -0.01000   2.15852
   D32       -1.96063   0.00022  -0.00531   0.00000  -0.00531  -1.96594
   D33        0.05844  -0.00004  -0.00899   0.00000  -0.00899   0.04945
   D34       -0.98122  -0.00044  -0.01388   0.00000  -0.01388  -0.99511
   D35        1.17281   0.00008  -0.00919   0.00000  -0.00920   1.16362
   D36       -3.09130  -0.00018  -0.01287   0.00000  -0.01288  -3.10418
   D37       -0.00329   0.00009  -0.00038   0.00000  -0.00038  -0.00366
   D38        3.13799  -0.00012   0.00332   0.00000   0.00331   3.14130
   D39       -3.13686   0.00022   0.00347   0.00000   0.00346  -3.13339
   D40        0.00442   0.00001   0.00716   0.00000   0.00715   0.01158
   D41       -1.19039   0.00025  -0.02598   0.00000  -0.02597  -1.21635
   D42        1.32305  -0.00067  -0.01017   0.00000  -0.01018   1.31287
   D43        2.94049   0.00060  -0.02960   0.00000  -0.02959   2.91091
   D44       -0.82925  -0.00032  -0.01379   0.00000  -0.01380  -0.84305
   D45        0.93987   0.00042  -0.02746   0.00000  -0.02744   0.91242
   D46       -2.82988  -0.00050  -0.01165   0.00000  -0.01166  -2.84154
   D47       -1.16112   0.00000   0.00975   0.00000   0.00975  -1.15136
   D48        3.05841   0.00001   0.00866   0.00000   0.00866   3.06707
   D49        0.94876   0.00007   0.01094   0.00000   0.01094   0.95970
   D50        2.57052  -0.00005  -0.00670   0.00000  -0.00670   2.56381
   D51        0.50686  -0.00004  -0.00779   0.00000  -0.00780   0.49906
   D52       -1.60280   0.00002  -0.00551   0.00000  -0.00551  -1.60831
   D53       -2.83528   0.00301  -0.00373   0.00000  -0.00371  -2.83899
   D54        0.39784  -0.00032  -0.03407   0.00000  -0.03409   0.36375
   D55       -0.33092   0.00252   0.01320   0.00000   0.01321  -0.31770
   D56        2.90220  -0.00081  -0.01715   0.00000  -0.01717   2.88504
   D57        2.80554   0.00379   0.00742   0.00000   0.00736   2.81290
   D58        0.35973   0.00192  -0.02203   0.00000  -0.02202   0.33771
   D59       -0.24584   0.00068  -0.02236   0.00000  -0.02238  -0.26822
   D60       -2.69166  -0.00119  -0.05182   0.00000  -0.05176  -2.74342
   D61       -1.60470   0.00368  -0.02036   0.00000  -0.02037  -1.62507
   D62        2.55647  -0.00364  -0.02275   0.00000  -0.02275   2.53373
   D63        0.48915  -0.00078  -0.01903   0.00000  -0.01902   0.47014
   D64        0.87572   0.00469   0.00947   0.00000   0.00946   0.88517
   D65       -1.24629  -0.00263   0.00707   0.00000   0.00708  -1.23922
   D66        2.96957   0.00023   0.01080   0.00000   0.01080   2.98038
   D67       -0.57650  -0.00013  -0.00352   0.00000  -0.00353  -0.58003
   D68        2.60307  -0.00639  -0.02986   0.00000  -0.02986   2.57321
   D69        1.51124   0.00083   0.00719   0.00000   0.00720   1.51844
   D70       -1.59237  -0.00543  -0.01915   0.00000  -0.01914  -1.61151
   D71       -2.64894   0.00086  -0.00763   0.00000  -0.00763  -2.65657
   D72        0.53063  -0.00540  -0.03397   0.00000  -0.03397   0.49666
   D73        1.10201  -0.00047  -0.02254   0.00000  -0.02254   1.07946
   D74       -3.02136   0.00205  -0.01591   0.00000  -0.01591  -3.03726
   D75       -0.95509   0.00094  -0.02456   0.00000  -0.02457  -0.97966
   D76       -0.98816  -0.00642  -0.03063   0.00000  -0.03065  -1.01881
   D77        1.17166  -0.00391  -0.02401   0.00000  -0.02401   1.14765
   D78       -3.04526  -0.00502  -0.03266   0.00000  -0.03268  -3.07794
   D79       -3.12279  -0.00330  -0.01962   0.00000  -0.01961   3.14079
   D80       -0.96297  -0.00079  -0.01300   0.00000  -0.01297  -0.97594
   D81        1.10330  -0.00190  -0.02165   0.00000  -0.02164   1.08166
   D82        3.11068   0.00826   0.00903   0.00000   0.00904   3.11972
   D83        0.10064   0.00256   0.00767   0.00000   0.00768   0.10831
   D84        0.00648   0.00203  -0.01690   0.00000  -0.01690  -0.01042
   D85       -3.00356  -0.00367  -0.01826   0.00000  -0.01826  -3.02182
   D86        2.55702  -0.00353   0.00856   0.00000   0.00856   2.56558
   D87       -1.55785  -0.00946   0.01060   0.00000   0.01060  -1.54725
   D88        0.51358  -0.00256   0.01022   0.00000   0.01022   0.52380
   D89       -0.70998   0.00176   0.00971   0.00000   0.00971  -0.70027
   D90        1.45834  -0.00416   0.01175   0.00000   0.01175   1.47008
   D91       -2.75341   0.00274   0.01137   0.00000   0.01137  -2.74204
   D92        1.06356   0.00311  -0.00298   0.00000  -0.00298   1.06058
   D93       -1.08735   0.00304  -0.00460   0.00000  -0.00460  -1.09195
   D94       -3.06373   0.00311  -0.00485   0.00000  -0.00485  -3.06858
   D95       -1.08826  -0.00273  -0.00668   0.00000  -0.00668  -1.09494
   D96        3.04402  -0.00280  -0.00830   0.00000  -0.00830   3.03572
   D97        1.06764  -0.00273  -0.00855   0.00000  -0.00855   1.05909
   D98        3.10752  -0.00029  -0.00605   0.00000  -0.00605   3.10147
   D99        0.95661  -0.00035  -0.00767   0.00000  -0.00767   0.94894
   D100      -1.01977  -0.00029  -0.00792   0.00000  -0.00792  -1.02769
   D101       1.28412   0.00715  -0.00251   0.00000  -0.00250   1.28161
   D102      -0.84841   0.00341   0.00209   0.00000   0.00209  -0.84632
   D103      -2.86429   0.00565   0.00124   0.00000   0.00124  -2.86305
   D104      -2.86129   0.00250   0.00134   0.00000   0.00134  -2.85995
   D105       1.28937  -0.00124   0.00593   0.00000   0.00593   1.29530
   D106      -0.72651   0.00100   0.00508   0.00000   0.00508  -0.72143
   D107      -0.78071   0.00121  -0.00003   0.00000  -0.00003  -0.78074
   D108      -2.91324  -0.00254   0.00456   0.00000   0.00456  -2.90868
   D109       1.35407  -0.00029   0.00371   0.00000   0.00371   1.35778
   D110      -1.64081  -0.00006  -0.00435   0.00000  -0.00435  -1.64516
   D111       1.50949  -0.00004  -0.00496   0.00000  -0.00496   1.50453
   D112       0.49864  -0.00001  -0.00292   0.00000  -0.00292   0.49572
   D113      -2.63424   0.00001  -0.00354   0.00000  -0.00354  -2.63778
   D114       2.50022  -0.00019  -0.00269   0.00000  -0.00269   2.49753
   D115      -0.63266  -0.00017  -0.00331   0.00000  -0.00331  -0.63597
   D116       3.13957   0.00000  -0.00029   0.00000  -0.00029   3.13928
   D117      -0.01948   0.00004   0.00036   0.00000   0.00036  -0.01912
   D118      -0.01065  -0.00002   0.00032   0.00000   0.00032  -0.01033
   D119       3.11349   0.00002   0.00097   0.00000   0.00097   3.11446
   D120      -3.13880  -0.00001   0.00016   0.00000   0.00016  -3.13864
   D121       0.00893  -0.00002  -0.00075   0.00000  -0.00075   0.00818
   D122       0.01146   0.00001  -0.00045   0.00000  -0.00045   0.01100
   D123      -3.12400   0.00000  -0.00136   0.00000  -0.00136  -3.12537
   D124       0.00179   0.00002   0.00004   0.00000   0.00004   0.00183
   D125       3.13774   0.00005   0.00063   0.00000   0.00063   3.13837
   D126      -3.12242  -0.00002  -0.00061   0.00000  -0.00061  -3.12304
   D127       0.01353   0.00001  -0.00002   0.00000  -0.00002   0.01351
   D128       0.00631  -0.00001  -0.00026   0.00000  -0.00026   0.00605
   D129       3.14099   0.00003   0.00061   0.00000   0.00061  -3.14158
   D130      -3.12964  -0.00004  -0.00085   0.00000  -0.00085  -3.13049
   D131       0.00505   0.00000   0.00002   0.00000   0.00002   0.00507
   D132      -0.00549   0.00000   0.00013   0.00000   0.00013  -0.00537
   D133       3.13307   0.00002   0.00055   0.00000   0.00055   3.13362
   D134      -3.14017  -0.00004  -0.00075   0.00000  -0.00075  -3.14092
   D135      -0.00161  -0.00002  -0.00033   0.00000  -0.00033  -0.00194
   D136      -0.00343   0.00000   0.00023   0.00000   0.00023  -0.00320
   D137       3.13206   0.00001   0.00114   0.00000   0.00114   3.13320
   D138       3.14119  -0.00002  -0.00019   0.00000  -0.00019   3.14101
   D139      -0.00650  -0.00001   0.00072   0.00000   0.00072  -0.00578
   D140      -1.70965  -0.00149   0.00485   0.00000   0.00484  -1.70481
   D141       2.57849  -0.00022   0.01076   0.00000   0.01076   2.58925
   D142       0.38464  -0.00032   0.00449   0.00000   0.00449   0.38913
   D143       0.43755   0.00075   0.00090   0.00000   0.00090   0.43845
   D144      -1.55749   0.00202   0.00681   0.00000   0.00682  -1.55068
   D145       2.53184   0.00192   0.00055   0.00000   0.00055   2.53239
   D146       2.45090  -0.00172  -0.00033   0.00000  -0.00034   2.45056
   D147       0.45585  -0.00045   0.00557   0.00000   0.00558   0.46143
   D148      -1.73800  -0.00055  -0.00069   0.00000  -0.00069  -1.73869
   D149       1.80594   0.00371  -0.03048   0.00000  -0.03049   1.77546
   D150      -2.35350  -0.00532  -0.03982   0.00000  -0.03982  -2.39332
   D151      -0.30843   0.00043  -0.03415   0.00000  -0.03415  -0.34258
   D152      -1.16097  -0.00043   0.01860   0.00000   0.01860  -1.14237
   D153       2.95178   0.00164   0.01623   0.00000   0.01623   2.96801
   D154       0.96539  -0.00127   0.01487   0.00000   0.01486   0.98025
   D155       3.06675   0.00215   0.02600   0.00000   0.02601   3.09276
   D156       0.89631   0.00422   0.02363   0.00000   0.02363   0.91995
   D157      -1.09008   0.00130   0.02227   0.00000   0.02226  -1.06781
   D158       1.03796  -0.00068   0.02487   0.00000   0.02488   1.06284
   D159      -1.13247   0.00139   0.02250   0.00000   0.02250  -1.10997
   D160      -3.11886  -0.00152   0.02114   0.00000   0.02113  -3.09773
   D161       2.92287  -0.00341   0.00135   0.00000   0.00135   2.92422
   D162      -1.20553  -0.00437  -0.00940   0.00000  -0.00940  -1.21493
   D163       0.80351  -0.00425  -0.01043   0.00000  -0.01042   0.79309
   D164      -1.24974   0.00457   0.01101   0.00000   0.01101  -1.23874
   D165       0.90504   0.00360   0.00026   0.00000   0.00025   0.90530
   D166       2.91408   0.00372  -0.00077   0.00000  -0.00076   2.91332
   D167       0.79752   0.00102   0.00792   0.00000   0.00792   0.80544
   D168       2.95231   0.00006  -0.00283   0.00000  -0.00283   2.94948
   D169      -1.32184   0.00018  -0.00385   0.00000  -0.00385  -1.32569
   D170       1.20250   0.00434   0.03714   0.00000   0.03714   1.23964
   D171      -1.19053  -0.00055   0.04213   0.00000   0.04213  -1.14840
   D172      -0.95364   0.00409   0.03609   0.00000   0.03609  -0.91755
   D173       2.93651  -0.00080   0.04108   0.00000   0.04108   2.97759
   D174      -3.04486   0.00504   0.03702   0.00000   0.03701  -3.00784
   D175       0.84530   0.00015   0.04201   0.00000   0.04200   0.88730
   D176       1.70791  -0.00085  -0.02739   0.00000  -0.02739   1.68052
   D177      -1.44118  -0.00072  -0.02440   0.00000  -0.02440  -1.46559
   D178      -0.45059   0.00032  -0.01771   0.00000  -0.01770  -0.46829
   D179       2.68351   0.00045  -0.01472   0.00000  -0.01471   2.66879
   D180      -2.46147  -0.00001  -0.01511   0.00000  -0.01511  -2.47659
   D181       0.67262   0.00011  -0.01212   0.00000  -0.01212   0.66049
   D182       3.13195   0.00007   0.00194   0.00000   0.00194   3.13389
   D183      -0.01698   0.00000   0.00192   0.00000   0.00193  -0.01506
   D184      -0.00218  -0.00006  -0.00104   0.00000  -0.00104  -0.00322
   D185       3.13208  -0.00013  -0.00106   0.00000  -0.00106   3.13102
   D186      -3.13238  -0.00004  -0.00168   0.00000  -0.00167  -3.13406
   D187       0.01125  -0.00008  -0.00226   0.00000  -0.00225   0.00899
   D188       0.00176   0.00007   0.00128   0.00000   0.00128   0.00304
   D189      -3.13779   0.00003   0.00070   0.00000   0.00070  -3.13709
   D190       0.00074   0.00000   0.00013   0.00000   0.00013   0.00087
   D191       3.14154  -0.00003  -0.00011   0.00000  -0.00011   3.14143
   D192      -3.13348   0.00008   0.00015   0.00000   0.00016  -3.13332
   D193       0.00733   0.00005  -0.00008   0.00000  -0.00008   0.00725
   D194       0.00113   0.00004   0.00054   0.00000   0.00054   0.00167
   D195      -3.14040  -0.00002  -0.00011   0.00000  -0.00011  -3.14051
   D196      -3.13967   0.00007   0.00078   0.00000   0.00078  -3.13889
   D197       0.00198   0.00001   0.00013   0.00000   0.00013   0.00211
   D198      -0.00155  -0.00002  -0.00030   0.00000  -0.00030  -0.00185
   D199       3.13988  -0.00003  -0.00039   0.00000  -0.00039   3.13948
   D200       3.13998   0.00004   0.00035   0.00000   0.00035   3.14034
   D201      -0.00177   0.00003   0.00026   0.00000   0.00026  -0.00151
   D202       0.00011  -0.00003  -0.00062   0.00000  -0.00062  -0.00051
   D203       3.13967   0.00001  -0.00004   0.00000  -0.00004   3.13963
   D204      -3.14132  -0.00003  -0.00052   0.00000  -0.00052   3.14134
   D205      -0.00176   0.00002   0.00005   0.00000   0.00005  -0.00171
   D206       0.65305  -0.00056   0.03458   0.00000   0.03457   0.68762
   D207      -2.54014  -0.00702   0.00765   0.00000   0.00766  -2.53248
   D208       3.02152   0.00434   0.03041   0.00000   0.03040   3.05192
   D209      -0.17167  -0.00212   0.00349   0.00000   0.00349  -0.16818
   D210       3.06731   0.00721   0.00740   0.00000   0.00742   3.07473
   D211      -0.12104   0.00142  -0.01669   0.00000  -0.01672  -0.13776
   D212      -1.39959   0.00005  -0.01208   0.00000  -0.01208  -1.41166
   D213       2.78843  -0.00010  -0.00620   0.00000  -0.00620   2.78223
   D214       0.76015   0.00051  -0.00962   0.00000  -0.00962   0.75053
   D215      -1.26277  -0.00161  -0.01583   0.00000  -0.01583  -1.27860
   D216       1.82057  -0.00181  -0.02904   0.00000  -0.02903   1.79155
   D217       0.69652  -0.00026  -0.01909   0.00000  -0.01910   0.67741
   D218      -2.50332  -0.00045  -0.03230   0.00000  -0.03230  -2.53563
   D219       2.90696  -0.00109  -0.01749   0.00000  -0.01749   2.88947
   D220      -0.29288  -0.00128  -0.03070   0.00000  -0.03069  -0.32357
   D221       3.08890   0.00042  -0.00530   0.00000  -0.00533   3.08356
   D222      -0.05707   0.00011   0.00187   0.00000   0.00185  -0.05522
   D223       0.00043   0.00059   0.00649   0.00000   0.00649   0.00692
   D224       3.13765   0.00029   0.01367   0.00000   0.01367  -3.13186
   D225      -3.08466  -0.00076  -0.00309   0.00000  -0.00314  -3.08780
   D226       0.00949  -0.00097  -0.01412   0.00000  -0.01412  -0.00462
   D227      -0.01441   0.00030   0.00843   0.00000   0.00842  -0.00599
   D228       3.13115   0.00057   0.00192   0.00000   0.00190   3.13305
   D229       0.02153  -0.00107  -0.01941   0.00000  -0.01941   0.00212
   D230       3.11158   0.00211   0.02057   0.00000   0.02056   3.13214
   D231      -0.01836   0.00122   0.01982   0.00000   0.01982   0.00146
   D232      -3.11047  -0.00183  -0.01855   0.00000  -0.01856  -3.12903
   D233      -1.10739   0.00006  -0.02009   0.00000  -0.02009  -1.12748
   D234       0.98502  -0.00031  -0.01900   0.00000  -0.01900   0.96602
   D235       3.09322   0.00044  -0.00705   0.00000  -0.00708   3.08614
   D236       3.02032  -0.00079  -0.02253   0.00000  -0.02252   2.99780
   D237      -1.17046  -0.00115  -0.02145   0.00000  -0.02143  -1.19189
   D238       0.93773  -0.00040  -0.00950   0.00000  -0.00950   0.92823
   D239       0.93533  -0.00035  -0.01799   0.00000  -0.01799   0.91734
   D240       3.02774  -0.00072  -0.01691   0.00000  -0.01690   3.01084
   D241      -1.14725   0.00004  -0.00496   0.00000  -0.00497  -1.15222
   D242       3.02589  -0.00203  -0.01975   0.00000  -0.01976   3.00613
   D243      -1.18671  -0.00230  -0.02200   0.00000  -0.02201  -1.20872
   D244       0.94013  -0.00191  -0.01893   0.00000  -0.01894   0.92119
   D245      -1.08800   0.00197  -0.00785   0.00000  -0.00785  -1.09585
   D246       0.98258   0.00170  -0.01010   0.00000  -0.01010   0.97248
   D247       3.10943   0.00209  -0.00703   0.00000  -0.00703   3.10240
   D248       0.98580  -0.00012  -0.01156   0.00000  -0.01156   0.97424
   D249       3.05638  -0.00039  -0.01381   0.00000  -0.01381   3.04257
   D250      -1.09996   0.00000  -0.01074   0.00000  -0.01074  -1.11070
   D251       0.01053  -0.00024  -0.00281   0.00000  -0.00281   0.00771
   D252      -3.13077  -0.00005  -0.00622   0.00000  -0.00624  -3.13701
         Item               Value     Threshold  Converged?
 Maximum Force            0.017514     0.000450     NO 
 RMS     Force            0.002715     0.000300     NO 
 Maximum Displacement     0.455561     0.001800     NO 
 RMS     Displacement     0.084794     0.001200     NO 
 Predicted change in Energy=-1.271926D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.244325   -2.426815    1.337513
      2          6           0       -9.098882   -1.397918    0.212313
      3          6           0      -10.141077   -0.281300    0.323791
      4          6           0       -7.718425   -0.821113    0.211010
      5          7           0       -6.832677   -0.919918   -0.752099
      6          6           0       -5.616530   -0.262347   -0.433536
      7          6           0       -4.518047   -0.326712   -1.458129
      8          7           0       -4.019613    0.998833   -1.896074
      9          6           0       -4.993641    1.767947   -2.717793
     10          6           0       -3.172638    1.782144   -1.067043
     11          8           0       -3.006721    2.980673   -1.261974
     12          7           0       -2.458484    1.107051   -0.040328
     13          6           0       -1.286746    1.806613    0.525692
     14          6           0       -0.021861    1.362121   -0.236422
     15          8           0        0.115846    0.231951   -0.691361
     16          7           0        0.973550    2.319200   -0.369926
     17          6           0        2.260077    2.017471   -1.059117
     18          6           0        2.768012    3.286980   -1.776958
     19          6           0        3.037442    4.448625   -0.859604
     20          6           0        2.044820    5.418802   -0.643775
     21          6           0        2.291081    6.497238    0.209736
     22          6           0        3.527395    6.618775    0.852518
     23          6           0        4.520900    5.659652    0.632309
     24          6           0        4.280507    4.579114   -0.221088
     25          6           0        3.299152    1.452006   -0.061891
     26          6           0        2.972211    0.007499    0.343790
     27          8           0        2.277037    0.031005    1.610206
     28          6           0        4.226138   -0.863974    0.653909
     29          6           0        5.088011   -1.078636   -0.601696
     30          6           0        6.436967   -1.653204   -0.258985
     31          6           0        6.653629   -3.037407   -0.343241
     32          6           0        7.907831   -3.569217   -0.034121
     33          6           0        8.951995   -2.726182    0.361285
     34          6           0        8.737014   -1.347162    0.448704
     35          6           0        7.484457   -0.808819    0.140548
     36          7           0        3.752029   -2.141688    1.260260
     37          6           0        3.094379   -3.065297    0.451744
     38          8           0        3.315391   -3.396892   -0.694369
     39          8           0        2.114734   -3.688700    1.228812
     40          6           0        1.253819   -4.637097    0.528131
     41          6           0        0.203856   -3.873184   -0.179803
     42          6           0       -0.894883   -3.223879    0.325545
     43          7           0       -1.668505   -2.521678   -0.619418
     44          6           0       -1.165750   -2.624760   -1.833039
     45         16           0        0.298381   -3.600555   -1.893529
     46          6           0       -1.182387    1.473032    2.041802
     47          6           0       -0.971477   -0.015713    2.295556
     48          6           0       -0.066754    2.300449    2.685199
     49          6           0       -5.585239    0.347803    0.788124
     50         16           0       -7.104220    0.122196    1.594236
     51          1           0      -10.214643   -2.934082    1.279774
     52          1           0       -8.467158   -3.199263    1.277345
     53          1           0       -9.176738   -1.969836    2.331699
     54          1           0       -9.250316   -1.926189   -0.772661
     55          1           0      -10.088014    0.244476    1.284461
     56          1           0      -10.012738    0.467244   -0.468173
     57          1           0      -11.156742   -0.684397    0.232279
     58          1           0       -3.671025   -0.939175   -1.061315
     59          1           0       -4.882451   -0.870493   -2.368774
     60          1           0       -5.150900    1.239060   -3.671858
     61          1           0       -4.588040    2.773916   -2.944496
     62          1           0       -5.965991    1.895514   -2.215035
     63          1           0       -2.331946    0.088387   -0.111375
     64          1           0       -1.442423    2.919513    0.409078
     65          1           0        0.906031    3.222245    0.093745
     66          1           0        2.053264    1.232919   -1.847599
     67          1           0        2.027476    3.579518   -2.554832
     68          1           0        3.684902    3.030337   -2.347993
     69          1           0        1.084483    5.342272   -1.153532
     70          1           0        1.518064    7.247990    0.370576
     71          1           0        3.716920    7.459385    1.516723
     72          1           0        5.487354    5.755497    1.125579
     73          1           0        5.063094    3.842978   -0.391434
     74          1           0        3.352043    2.083765    0.850251
     75          1           0        4.307950    1.506689   -0.513865
     76          1           0        2.323594   -0.490655   -0.418701
     77          1           0        1.297096   -0.096530    1.459220
     78          1           0        4.839087   -0.365212    1.456029
     79          1           0        4.561657   -1.744689   -1.328928
     80          1           0        5.210921   -0.113613   -1.136304
     81          1           0        5.834426   -3.694709   -0.644846
     82          1           0        8.071927   -4.643377   -0.100521
     83          1           0        9.927563   -3.142463    0.600386
     84          1           0        9.547351   -0.689833    0.757981
     85          1           0        7.325355    0.263582    0.212838
     86          1           0        3.311211   -1.981769    2.181267
     87          1           0        0.863797   -5.249205    1.366320
     88          1           0        1.876013   -5.261989   -0.145481
     89          1           0       -1.214494   -3.199753    1.363014
     90          1           0       -1.588792   -2.178581   -2.724330
     91          1           0       -2.164531    1.766259    2.501999
     92          1           0       -1.833848   -0.610963    1.968199
     93          1           0       -0.089086   -0.407767    1.758503
     94          1           0       -0.844237   -0.225563    3.363806
     95          1           0       -0.070184    2.180155    3.776400
     96          1           0        0.934205    1.989811    2.347974
     97          1           0       -0.174207    3.371062    2.483707
     98          1           0       -4.774426    0.901182    1.236284
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0755012      0.0289843      0.0229299
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3622.3638898448 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.251069092533     A.U. after   18 cycles
             Convg  =    0.9210D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000023103    0.000152881    0.000026882
      2        6           0.000107802   -0.000038755    0.000005896
      3        6           0.000222381    0.000113419   -0.000060477
      4        6          -0.000250974    0.000348792   -0.000747243
      5        7           0.000673165    0.000228657    0.000721761
      6        6          -0.000334063   -0.000724351   -0.000440060
      7        6           0.000836025    0.000731354    0.000402429
      8        7           0.001377923   -0.000135407   -0.000783111
      9        6           0.000187504   -0.000616553   -0.000433370
     10        6          -0.002596888    0.001892806   -0.002595775
     11        8           0.001702196   -0.000824989   -0.000379365
     12        7           0.002195578    0.000255878    0.001549679
     13        6          -0.000229455   -0.000843549   -0.000652544
     14        6          -0.001129349   -0.002023108   -0.000034552
     15        8          -0.000492969    0.000104510   -0.000475875
     16        7          -0.001787590    0.001175468   -0.001124190
     17        6          -0.000468405    0.000628531    0.002151910
     18        6          -0.000185521   -0.000953171    0.000008627
     19        6           0.000153213   -0.000082703   -0.000237126
     20        6          -0.000349485    0.000202592   -0.000124289
     21        6          -0.000262685   -0.000031400    0.000055054
     22        6           0.000127617    0.000235434   -0.000110427
     23        6           0.000080762    0.000181349   -0.000053790
     24        6           0.000189301    0.000009485    0.000040253
     25        6           0.001345857    0.001762906    0.000522513
     26        6           0.000907874   -0.000998331   -0.002510285
     27        8          -0.000206698   -0.000699281   -0.001566283
     28        6          -0.001649909   -0.002063236   -0.002733855
     29        6          -0.000812127   -0.001015838    0.000415230
     30        6           0.000376797    0.000206544    0.000153146
     31        6           0.000390807    0.000025451   -0.000162611
     32        6           0.000323355   -0.000088122   -0.000167539
     33        6           0.000153362   -0.000062508   -0.000148303
     34        6          -0.000033442    0.000137927    0.000073617
     35        6           0.000190904    0.000262398    0.000105852
     36        7          -0.001795032   -0.004448276    0.001756120
     37        6           0.000892878    0.006898662   -0.000620970
     38        8          -0.000117769    0.000795443    0.000266340
     39        8          -0.000576164    0.001882444    0.000920620
     40        6           0.000656622    0.000109251   -0.000785948
     41        6           0.001027750   -0.000409251    0.001055466
     42        6          -0.001163680    0.000064161    0.000141173
     43        7           0.000422646   -0.000260656   -0.000125735
     44        6           0.001159981    0.001310267    0.000919326
     45       16          -0.000829757   -0.000844910   -0.000658541
     46        6           0.000642472   -0.002454960   -0.000414586
     47        6          -0.000314013    0.002215531    0.002541903
     48        6           0.000113140   -0.000256213    0.000057565
     49        6          -0.000491519    0.000042901   -0.000532605
     50       16           0.000199915   -0.000243252    0.000710318
     51        1           0.000025839   -0.000025192   -0.000004377
     52        1          -0.000037503    0.000031045   -0.000006134
     53        1           0.000017162   -0.000061439    0.000034518
     54        1           0.000034957   -0.000018104    0.000140271
     55        1           0.000080327   -0.000017002    0.000031410
     56        1           0.000064038    0.000011563   -0.000006563
     57        1          -0.000027631   -0.000018093   -0.000022158
     58        1          -0.001305094    0.000286917    0.000877508
     59        1          -0.000402749   -0.000174147    0.000088158
     60        1          -0.000021455   -0.000057268    0.000120873
     61        1          -0.000019622    0.000147206    0.000188645
     62        1          -0.000003419    0.000065807   -0.000063677
     63        1          -0.001183622    0.002252115    0.000835316
     64        1           0.000249818    0.000236904   -0.000238148
     65        1           0.000303496   -0.000450408   -0.000133196
     66        1           0.000890135   -0.001040801    0.000721860
     67        1           0.000017443   -0.000085742    0.000190156
     68        1          -0.000025974   -0.000043575   -0.000195761
     69        1          -0.000100812   -0.000116261    0.000070506
     70        1           0.000003215    0.000009579    0.000029626
     71        1          -0.000017678   -0.000033948    0.000029006
     72        1          -0.000007576    0.000006583    0.000008232
     73        1           0.000064541   -0.000032668   -0.000041880
     74        1           0.000432063    0.000528429    0.000163893
     75        1          -0.000272126   -0.000004844   -0.000135035
     76        1           0.000686510   -0.000314623    0.000099539
     77        1          -0.000196120   -0.000310466   -0.000250841
     78        1           0.000024894    0.000030708   -0.000417963
     79        1           0.000010518   -0.000189664    0.000264540
     80        1           0.000161144    0.000016931   -0.000011908
     81        1           0.000118214   -0.000254329   -0.000023559
     82        1           0.000049663    0.000028154    0.000019893
     83        1          -0.000033547   -0.000036278    0.000028458
     84        1          -0.000007018    0.000003290    0.000001377
     85        1          -0.000021344   -0.000021334   -0.000024767
     86        1           0.000279497   -0.001194326    0.001885914
     87        1           0.000301922   -0.000433112   -0.000102459
     88        1           0.000070058   -0.000028835    0.000553155
     89        1          -0.000100678    0.000186077   -0.000119150
     90        1           0.000230939   -0.000870576   -0.000991441
     91        1          -0.000401152   -0.000774054   -0.000667402
     92        1          -0.000297109    0.000914190   -0.000698105
     93        1           0.000461794    0.000482013    0.001281953
     94        1          -0.001202424   -0.000760047    0.000005960
     95        1           0.000134211    0.000136339   -0.000117537
     96        1           0.000184362    0.000070816    0.000408839
     97        1           0.000089847    0.000019877    0.000161351
     98        1           0.000140817    0.000046373    0.000108880
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006898662 RMS     0.000880611

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.008482975 RMS     0.001199381
 Search for a local minimum.
 Step number  46 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   40   39   41   43   42
                                                     45   44   46
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00114   0.00151   0.00232   0.00236   0.00323
     Eigenvalues ---    0.00368   0.00463   0.00540   0.00597   0.00679
     Eigenvalues ---    0.00727   0.00766   0.00867   0.00934   0.00951
     Eigenvalues ---    0.01000   0.01082   0.01125   0.01193   0.01211
     Eigenvalues ---    0.01274   0.01309   0.01400   0.01415   0.01446
     Eigenvalues ---    0.01459   0.01502   0.01601   0.01620   0.01738
     Eigenvalues ---    0.01751   0.01825   0.01927   0.02017   0.02093
     Eigenvalues ---    0.02190   0.02194   0.02203   0.02220   0.02257
     Eigenvalues ---    0.02261   0.02268   0.02291   0.02327   0.02371
     Eigenvalues ---    0.02404   0.02408   0.02414   0.02448   0.02482
     Eigenvalues ---    0.02485   0.02508   0.02527   0.02528   0.02615
     Eigenvalues ---    0.02685   0.02698   0.02939   0.03183   0.03435
     Eigenvalues ---    0.03805   0.04044   0.04059   0.04164   0.04258
     Eigenvalues ---    0.04361   0.04517   0.04697   0.04831   0.04947
     Eigenvalues ---    0.05039   0.05109   0.05167   0.05223   0.05310
     Eigenvalues ---    0.05368   0.05418   0.05448   0.05521   0.05623
     Eigenvalues ---    0.05632   0.05688   0.05723   0.05770   0.05790
     Eigenvalues ---    0.05840   0.05897   0.05983   0.06009   0.06037
     Eigenvalues ---    0.06323   0.06519   0.06716   0.06901   0.07086
     Eigenvalues ---    0.07504   0.07626   0.08071   0.08329   0.08575
     Eigenvalues ---    0.08629   0.09380   0.09727   0.09842   0.10354
     Eigenvalues ---    0.11931   0.12904   0.13113   0.13296   0.13465
     Eigenvalues ---    0.13708   0.13859   0.14258   0.14592   0.15537
     Eigenvalues ---    0.15642   0.15833   0.15948   0.15971   0.15980
     Eigenvalues ---    0.15987   0.15995   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16002   0.16002   0.16004   0.16009
     Eigenvalues ---    0.16014   0.16025   0.16054   0.16060   0.16081
     Eigenvalues ---    0.16112   0.16193   0.16248   0.16869   0.16997
     Eigenvalues ---    0.17188   0.17629   0.17960   0.18292   0.18404
     Eigenvalues ---    0.19063   0.19199   0.20257   0.20653   0.21428
     Eigenvalues ---    0.21822   0.21981   0.21991   0.22000   0.22001
     Eigenvalues ---    0.22053   0.22075   0.22382   0.22487   0.22923
     Eigenvalues ---    0.23444   0.23477   0.23563   0.23679   0.23830
     Eigenvalues ---    0.24165   0.24230   0.24572   0.24686   0.24792
     Eigenvalues ---    0.25005   0.25026   0.25095   0.25295   0.25509
     Eigenvalues ---    0.25680   0.26319   0.28377   0.29071   0.29364
     Eigenvalues ---    0.29726   0.29824   0.29918   0.30100   0.30196
     Eigenvalues ---    0.30405   0.30474   0.30730   0.30918   0.31026
     Eigenvalues ---    0.31352   0.31423   0.31430   0.31504   0.31636
     Eigenvalues ---    0.31699   0.31756   0.31987   0.32058   0.32325
     Eigenvalues ---    0.32341   0.32502   0.32609   0.32734   0.32770
     Eigenvalues ---    0.32819   0.32865   0.32903   0.32985   0.33063
     Eigenvalues ---    0.33076   0.33142   0.33190   0.33294   0.33463
     Eigenvalues ---    0.33559   0.33583   0.33636   0.33678   0.33693
     Eigenvalues ---    0.33886   0.33967   0.33983   0.34121   0.34182
     Eigenvalues ---    0.34214   0.34274   0.34370   0.34415   0.34497
     Eigenvalues ---    0.34540   0.34586   0.34748   0.35308   0.36246
     Eigenvalues ---    0.36311   0.36365   0.36378   0.36631   0.36820
     Eigenvalues ---    0.36935   0.37029   0.38284   0.38656   0.39204
     Eigenvalues ---    0.39480   0.40260   0.40916   0.41152   0.42470
     Eigenvalues ---    0.42857   0.43096   0.43387   0.43694   0.44425
     Eigenvalues ---    0.44831   0.45160   0.46245   0.47492   0.47988
     Eigenvalues ---    0.48367   0.48489   0.48564   0.48812   0.49103
     Eigenvalues ---    0.49540   0.50001   0.50362   0.50952   0.51241
     Eigenvalues ---    0.51396   0.55382   0.56732   0.57995   0.59291
     Eigenvalues ---    0.62515   0.65169   0.65394   0.76108   0.79007
     Eigenvalues ---    0.84002   1.08877   1.550151000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-1.53674846D-03 EMin= 1.13761028D-03
 Quartic linear search produced a step of -0.01069.
 Maximum step size (   0.221) exceeded in Quadratic search.
    -- Step size scaled by   0.643
 Iteration  1 RMS(Cart)=  0.08176606 RMS(Int)=  0.00048793
 Iteration  2 RMS(Cart)=  0.00175208 RMS(Int)=  0.00000504
 Iteration  3 RMS(Cart)=  0.00000053 RMS(Int)=  0.00000503
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89434   0.00007   0.00001  -0.00044  -0.00043   2.89391
    R2        2.07196   0.00000   0.00000   0.00001   0.00001   2.07197
    R3        2.07378   0.00004   0.00000   0.00052   0.00052   2.07430
    R4        2.07165   0.00007   0.00000  -0.00026  -0.00026   2.07139
    R5        2.89408   0.00029   0.00000   0.00045   0.00045   2.89453
    R6        2.82725   0.00045   0.00002   0.00019   0.00020   2.82746
    R7        2.13144  -0.00009   0.00000  -0.00047  -0.00047   2.13097
    R8        2.07194   0.00005   0.00000  -0.00029  -0.00028   2.07165
    R9        2.07354   0.00001   0.00000   0.00005   0.00005   2.07359
   R10        2.07219  -0.00004   0.00000  -0.00019  -0.00019   2.07200
   R11        2.47971  -0.00020   0.00000  -0.00021  -0.00021   2.47950
   R12        3.37007   0.00036   0.00001   0.00054   0.00055   3.37062
   R13        2.68108   0.00082   0.00001  -0.00034  -0.00033   2.68074
   R14        2.84126   0.00031   0.00003  -0.00023  -0.00021   2.84105
   R15        2.58120  -0.00010  -0.00001  -0.00002  -0.00002   2.58118
   R16        2.80120   0.00143  -0.00001   0.00162   0.00162   2.80281
   R17        2.11279   0.00155  -0.00001   0.00068   0.00068   2.11347
   R18        2.11933  -0.00020   0.00000  -0.00052  -0.00052   2.11881
   R19        2.81277   0.00017  -0.00003   0.00102   0.00099   2.81376
   R20        2.68463   0.00030  -0.00002   0.00131   0.00129   2.68592
   R21        2.08273  -0.00010   0.00000  -0.00006  -0.00006   2.08267
   R22        2.09400  -0.00024   0.00000  -0.00029  -0.00029   2.09371
   R23        2.08256  -0.00003   0.00000  -0.00019  -0.00018   2.08238
   R24        2.31597   0.00118   0.00002  -0.00024  -0.00022   2.31575
   R25        2.68574   0.00248   0.00000   0.00327   0.00326   2.68901
   R26        2.79190   0.00375   0.00007  -0.00036  -0.00029   2.79161
   R27        1.94443   0.00263  -0.00002   0.00421   0.00418   1.94862
   R28        2.91430   0.00058   0.00001   0.00030   0.00031   2.91461
   R29        2.94018   0.00252   0.00005   0.00050   0.00054   2.94073
   R30        2.13496   0.00011   0.00000  -0.00038  -0.00038   2.13458
   R31        2.31691   0.00024   0.00001   0.00024   0.00025   2.31717
   R32        2.62166   0.00056   0.00000  -0.00024  -0.00025   2.62142
   R33        2.81637  -0.00256   0.00000  -0.00090  -0.00091   2.81547
   R34        1.92255   0.00055   0.00001   0.00059   0.00060   1.92315
   R35        2.91836   0.00068   0.00000  -0.00053  -0.00054   2.91782
   R36        2.92382  -0.00300  -0.00001  -0.00253  -0.00254   2.92128
   R37        2.13798  -0.00131   0.00000  -0.00131  -0.00131   2.13667
   R38        2.84311  -0.00039   0.00000  -0.00051  -0.00051   2.84260
   R39        2.10351  -0.00016  -0.00001  -0.00021  -0.00021   2.10330
   R40        2.09805   0.00009   0.00000   0.00010   0.00011   2.09816
   R41        2.65446  -0.00050  -0.00001  -0.00050  -0.00050   2.65396
   R42        2.65232  -0.00029   0.00000  -0.00045  -0.00045   2.65187
   R43        2.64031  -0.00014   0.00000  -0.00017  -0.00017   2.64014
   R44        2.05968  -0.00017   0.00000  -0.00020  -0.00020   2.05947
   R45        2.64319  -0.00030   0.00000  -0.00020  -0.00021   2.64299
   R46        2.05889  -0.00001   0.00000  -0.00007  -0.00007   2.05882
   R47        2.64255  -0.00013   0.00000  -0.00010  -0.00010   2.64245
   R48        2.05600   0.00003   0.00000   0.00003   0.00003   2.05603
   R49        2.64132  -0.00024   0.00000  -0.00017  -0.00017   2.64115
   R50        2.05845   0.00000   0.00000   0.00003   0.00003   2.05848
   R51        2.05569  -0.00008   0.00000  -0.00002  -0.00002   2.05567
   R52        2.90186  -0.00385  -0.00001  -0.00172  -0.00172   2.90014
   R53        2.09915  -0.00028   0.00001  -0.00004  -0.00003   2.09911
   R54        2.09150   0.00030   0.00001  -0.00008  -0.00007   2.09142
   R55        2.73040  -0.00133   0.00001  -0.00133  -0.00132   2.72907
   R56        2.94456   0.00087  -0.00001   0.00295   0.00294   2.94750
   R57        2.11299  -0.00013  -0.00002   0.00127   0.00125   2.11424
   R58        1.88911  -0.00034   0.00000   0.00121   0.00121   1.89032
   R59        2.90640  -0.00125  -0.00001  -0.00128  -0.00129   2.90511
   R60        2.81879   0.00495   0.00006   0.00410   0.00416   2.82295
   R61        2.12782  -0.00017   0.00002  -0.00114  -0.00112   2.12670
   R62        2.84544  -0.00148  -0.00003  -0.00041  -0.00044   2.84501
   R63        2.11239  -0.00023   0.00002  -0.00043  -0.00041   2.11198
   R64        2.09767   0.00002  -0.00001  -0.00010  -0.00011   2.09755
   R65        2.65240  -0.00083  -0.00001  -0.00023  -0.00024   2.65216
   R66        2.65226  -0.00039   0.00000  -0.00025  -0.00025   2.65200
   R67        2.63981  -0.00039   0.00000  -0.00040  -0.00041   2.63940
   R68        2.06500  -0.00018  -0.00001   0.00023   0.00022   2.06522
   R69        2.64382   0.00002   0.00000   0.00007   0.00007   2.64389
   R70        2.05725   0.00001   0.00000  -0.00007  -0.00007   2.05717
   R71        2.64261  -0.00016   0.00000  -0.00027  -0.00027   2.64234
   R72        2.05467   0.00005   0.00000   0.00001   0.00001   2.05468
   R73        2.64134  -0.00009   0.00000  -0.00009  -0.00009   2.64125
   R74        2.05657   0.00000   0.00000  -0.00002  -0.00002   2.05655
   R75        2.05328   0.00002   0.00000   0.00001   0.00001   2.05328
   R76        2.63158   0.00848   0.00012   0.00777   0.00789   2.63947
   R77        1.95306   0.00197   0.00006   0.00274   0.00280   1.95586
   R78        2.29302   0.00038   0.00001   0.00006   0.00007   2.29309
   R79        2.64033   0.00152  -0.00001  -0.00015  -0.00016   2.64016
   R80        2.75899  -0.00072  -0.00002  -0.00090  -0.00092   2.75807
   R81        2.79472   0.00033  -0.00001  -0.00033  -0.00034   2.79438
   R82        2.09526  -0.00009   0.00000  -0.00049  -0.00049   2.09477
   R83        2.09697  -0.00021  -0.00001   0.00035   0.00034   2.09731
   R84        2.59396  -0.00075  -0.00002  -0.00034  -0.00036   2.59359
   R85        3.28406   0.00055   0.00001  -0.00036  -0.00035   3.28370
   R86        2.66212   0.00024  -0.00001  -0.00087  -0.00088   2.66124
   R87        2.05196  -0.00021   0.00000  -0.00025  -0.00024   2.05172
   R88        2.49004  -0.00012  -0.00002   0.00138   0.00136   2.49141
   R89        3.32695   0.00128   0.00003  -0.00162  -0.00159   3.32536
   R90        2.04618   0.00074   0.00001  -0.00013  -0.00013   2.04606
   R91        2.88159   0.00439   0.00008   0.00261   0.00269   2.88428
   R92        2.89271  -0.00018  -0.00001   0.00050   0.00049   2.89320
   R93        2.12320  -0.00050   0.00000  -0.00085  -0.00085   2.12235
   R94        2.07454   0.00058   0.00002   0.00069   0.00071   2.07525
   R95        2.08791  -0.00067   0.00003  -0.00095  -0.00092   2.08699
   R96        2.07129   0.00035  -0.00002   0.00064   0.00062   2.07191
   R97        2.07457  -0.00015   0.00000  -0.00020  -0.00020   2.07437
   R98        2.08053  -0.00025   0.00000  -0.00044  -0.00044   2.08009
   R99        2.06867  -0.00008   0.00000  -0.00003  -0.00003   2.06865
   R100       3.27747   0.00053   0.00002   0.00000   0.00002   3.27749
   R101       2.03924  -0.00010   0.00000  -0.00004  -0.00005   2.03919
    A1        1.93494  -0.00001  -0.00001   0.00042   0.00041   1.93535
    A2        1.94478  -0.00001   0.00000  -0.00029  -0.00029   1.94449
    A3        1.96098   0.00000   0.00000  -0.00038  -0.00038   1.96060
    A4        1.87359   0.00002   0.00000  -0.00018  -0.00018   1.87341
    A5        1.87043   0.00000   0.00000   0.00072   0.00072   1.87115
    A6        1.87494   0.00002   0.00001  -0.00026  -0.00026   1.87468
    A7        1.95163  -0.00007   0.00000   0.00015   0.00015   1.95178
    A8        1.92543  -0.00010  -0.00001  -0.00027  -0.00027   1.92516
    A9        1.89038  -0.00001   0.00001  -0.00008  -0.00007   1.89031
   A10        1.92503   0.00025   0.00002  -0.00017  -0.00015   1.92488
   A11        1.88987  -0.00006  -0.00001   0.00000  -0.00002   1.88985
   A12        1.87936  -0.00003  -0.00001   0.00038   0.00037   1.87974
   A13        1.96111   0.00007   0.00002  -0.00063  -0.00061   1.96050
   A14        1.94471   0.00008   0.00000   0.00001   0.00001   1.94471
   A15        1.93501  -0.00004   0.00000  -0.00023  -0.00023   1.93478
   A16        1.87507  -0.00004   0.00000   0.00035   0.00034   1.87541
   A17        1.86944  -0.00003  -0.00001   0.00093   0.00092   1.87037
   A18        1.87431  -0.00004   0.00000  -0.00038  -0.00038   1.87393
   A19        2.20736   0.00016   0.00001   0.00038   0.00039   2.20774
   A20        2.11886  -0.00003  -0.00001  -0.00004  -0.00005   2.11881
   A21        1.95695  -0.00013   0.00000  -0.00033  -0.00033   1.95662
   A22        1.95941   0.00031   0.00001   0.00023   0.00023   1.95964
   A23        2.04138   0.00055  -0.00003   0.00086   0.00084   2.04222
   A24        2.01252  -0.00033   0.00000   0.00025   0.00024   2.01276
   A25        2.22923  -0.00022   0.00003  -0.00112  -0.00109   2.22813
   A26        1.99184  -0.00073   0.00000   0.00064   0.00064   1.99249
   A27        1.91250   0.00008   0.00001  -0.00094  -0.00093   1.91156
   A28        1.91421   0.00048  -0.00001   0.00070   0.00069   1.91490
   A29        1.91769   0.00049   0.00002  -0.00049  -0.00046   1.91723
   A30        1.87858   0.00003   0.00000  -0.00143  -0.00143   1.87715
   A31        1.84288  -0.00032  -0.00003   0.00160   0.00158   1.84446
   A32        1.98792   0.00070   0.00003  -0.00301  -0.00302   1.98490
   A33        2.11896  -0.00024   0.00005  -0.00284  -0.00284   2.11612
   A34        2.01241  -0.00050   0.00001  -0.00308  -0.00312   2.00929
   A35        1.90002  -0.00014   0.00001  -0.00087  -0.00087   1.89915
   A36        1.92039  -0.00005  -0.00001  -0.00030  -0.00032   1.92007
   A37        1.96637   0.00013  -0.00001   0.00107   0.00106   1.96743
   A38        1.88680   0.00008   0.00001  -0.00051  -0.00050   1.88631
   A39        1.90135  -0.00002   0.00001  -0.00055  -0.00054   1.90081
   A40        1.88726   0.00001   0.00000   0.00111   0.00110   1.88836
   A41        2.12599  -0.00056  -0.00004  -0.00066  -0.00070   2.12529
   A42        2.04794   0.00016   0.00005   0.00269   0.00274   2.05068
   A43        2.10761   0.00048   0.00000  -0.00180  -0.00180   2.10581
   A44        2.03798   0.00072   0.00007  -0.00684  -0.00679   2.03120
   A45        2.07393  -0.00073   0.00007  -0.00162  -0.00157   2.07236
   A46        1.97980   0.00006   0.00002   0.00157   0.00156   1.98136
   A47        1.90148  -0.00071   0.00004   0.00420   0.00424   1.90572
   A48        1.90181  -0.00052   0.00008  -0.00122  -0.00114   1.90067
   A49        1.89400   0.00036   0.00002  -0.00501  -0.00499   1.88901
   A50        1.94415   0.00120  -0.00004  -0.00073  -0.00077   1.94338
   A51        1.92402  -0.00041  -0.00002   0.00030   0.00029   1.92431
   A52        1.89760   0.00007  -0.00007   0.00228   0.00220   1.89981
   A53        2.14263  -0.00231   0.00000  -0.00094  -0.00095   2.14168
   A54        2.02329   0.00599   0.00000   0.00265   0.00264   2.02593
   A55        2.11721  -0.00367  -0.00001  -0.00181  -0.00183   2.11538
   A56        2.12258  -0.00847  -0.00001  -0.00032  -0.00032   2.12225
   A57        2.11867   0.00417  -0.00001   0.00069   0.00068   2.11936
   A58        2.03504   0.00427   0.00001  -0.00001   0.00000   2.03505
   A59        1.90969   0.00233   0.00002  -0.00122  -0.00120   1.90849
   A60        1.93442  -0.00022   0.00002   0.00134   0.00135   1.93578
   A61        1.88060  -0.00213  -0.00003  -0.00149  -0.00152   1.87909
   A62        1.95967  -0.00040  -0.00001  -0.00084  -0.00084   1.95882
   A63        1.88202   0.00041  -0.00001   0.00086   0.00085   1.88287
   A64        1.89496  -0.00010   0.00000   0.00132   0.00133   1.89629
   A65        1.99346   0.00064   0.00000   0.00034   0.00034   1.99380
   A66        1.89870  -0.00024   0.00000  -0.00041  -0.00041   1.89828
   A67        1.89724  -0.00005  -0.00001   0.00053   0.00052   1.89776
   A68        1.92018  -0.00023   0.00001  -0.00069  -0.00069   1.91949
   A69        1.92218  -0.00024  -0.00001   0.00002   0.00001   1.92218
   A70        1.82424   0.00008   0.00000   0.00022   0.00022   1.82446
   A71        2.09487  -0.00012   0.00000  -0.00055  -0.00055   2.09432
   A72        2.10340   0.00005   0.00000   0.00037   0.00037   2.10377
   A73        2.08489   0.00007   0.00000   0.00018   0.00018   2.08506
   A74        2.09718   0.00000   0.00000  -0.00002  -0.00002   2.09717
   A75        2.09702   0.00002   0.00000   0.00012   0.00012   2.09714
   A76        2.08886  -0.00002   0.00000  -0.00010  -0.00010   2.08876
   A77        2.09854   0.00001   0.00000  -0.00002  -0.00002   2.09852
   A78        2.09092  -0.00001   0.00000   0.00002   0.00002   2.09094
   A79        2.09371   0.00000   0.00000   0.00000   0.00000   2.09372
   A80        2.08980  -0.00005   0.00000  -0.00005  -0.00005   2.08974
   A81        2.09631   0.00005   0.00000   0.00007   0.00007   2.09638
   A82        2.09706  -0.00001   0.00000  -0.00002  -0.00002   2.09705
   A83        2.09924  -0.00002   0.00000  -0.00001  -0.00002   2.09922
   A84        2.09289   0.00002   0.00000   0.00000  -0.00001   2.09288
   A85        2.09105   0.00000   0.00000   0.00002   0.00002   2.09108
   A86        2.09666  -0.00002   0.00000  -0.00007  -0.00006   2.09660
   A87        2.09786   0.00001   0.00000   0.00009   0.00009   2.09795
   A88        2.08865   0.00000   0.00000  -0.00003  -0.00003   2.08863
   A89        1.95097  -0.00535   0.00003   0.00213   0.00216   1.95313
   A90        1.93197   0.00300  -0.00002  -0.00020  -0.00023   1.93174
   A91        1.90801   0.00020   0.00002  -0.00121  -0.00119   1.90682
   A92        1.90519  -0.00051  -0.00003  -0.00090  -0.00094   1.90426
   A93        1.92668   0.00366   0.00000   0.00036   0.00036   1.92704
   A94        1.83779  -0.00063   0.00001  -0.00032  -0.00031   1.83748
   A95        1.89514  -0.00378  -0.00003   0.00089   0.00086   1.89600
   A96        1.99035   0.00550  -0.00006   0.00268   0.00262   1.99297
   A97        1.94168  -0.00078   0.00005   0.00016   0.00021   1.94188
   A98        1.79450   0.00060   0.00000  -0.00103  -0.00103   1.79346
   A99        1.90271   0.00116  -0.00001  -0.00308  -0.00309   1.89962
   A100       1.93196  -0.00276   0.00005   0.00002   0.00007   1.93202
   A101       1.91472  -0.00021   0.00005  -0.00432  -0.00428   1.91044
   A102       1.94608  -0.00119  -0.00004   0.00001  -0.00004   1.94604
   A103       1.87989  -0.00168   0.00009   0.00283   0.00292   1.88281
   A104       1.90933   0.00203  -0.00003   0.00112   0.00110   1.91043
   A105       1.97188   0.00169  -0.00002   0.00235   0.00233   1.97422
   A106       1.91595  -0.00068   0.00001  -0.00298  -0.00297   1.91298
   A107       1.83679  -0.00005  -0.00002  -0.00343  -0.00345   1.83335
   A108       1.94925  -0.00060  -0.00002  -0.00053  -0.00055   1.94869
   A109       1.92881  -0.00005  -0.00003  -0.00002  -0.00005   1.92877
   A110       1.91123   0.00020   0.00006  -0.00119  -0.00113   1.91010
   A111       1.92042   0.00002  -0.00005   0.00038   0.00034   1.92076
   A112       1.92000   0.00049   0.00006   0.00036   0.00042   1.92042
   A113       1.83052  -0.00002  -0.00002   0.00109   0.00106   1.83159
   A114       2.09548  -0.00101  -0.00004   0.00029   0.00026   2.09574
   A115       2.09884   0.00057   0.00003  -0.00041  -0.00037   2.09846
   A116       2.08886   0.00044   0.00001   0.00011   0.00012   2.08897
   A117       2.09526  -0.00011   0.00000  -0.00009  -0.00009   2.09518
   A118       2.08754  -0.00014  -0.00001  -0.00002  -0.00003   2.08751
   A119       2.10036   0.00025   0.00001   0.00011   0.00012   2.10048
   A120       2.09812  -0.00001   0.00000   0.00007   0.00006   2.09819
   A121       2.09148  -0.00005   0.00000  -0.00009  -0.00009   2.09139
   A122       2.09359   0.00006   0.00000   0.00002   0.00002   2.09361
   A123       2.09111  -0.00001   0.00000  -0.00001  -0.00001   2.09110
   A124       2.09567   0.00003   0.00000   0.00003   0.00002   2.09569
   A125       2.09641  -0.00002   0.00000  -0.00001  -0.00001   2.09639
   A126       2.09878  -0.00010   0.00000  -0.00008  -0.00009   2.09870
   A127       2.09315   0.00004   0.00000   0.00001   0.00001   2.09317
   A128       2.09125   0.00006   0.00000   0.00007   0.00007   2.09132
   A129       2.09423  -0.00021   0.00000   0.00000   0.00000   2.09423
   A130       2.09838   0.00013  -0.00001  -0.00001  -0.00001   2.09836
   A131       2.09058   0.00008   0.00001   0.00000   0.00001   2.09059
   A132       2.07398  -0.00085   0.00000   0.00214   0.00213   2.07611
   A133       1.94472   0.00081  -0.00001  -0.00361  -0.00362   1.94110
   A134       2.00269  -0.00105  -0.00002  -0.00486  -0.00490   1.99779
   A135       2.27001   0.00139   0.00001  -0.00009  -0.00009   2.26992
   A136       1.87984  -0.00068   0.00001   0.00182   0.00182   1.88166
   A137       2.13068  -0.00055  -0.00003  -0.00117  -0.00121   2.12947
   A138       2.02235   0.00111   0.00003  -0.00094  -0.00091   2.02144
   A139       1.88897  -0.00330  -0.00001  -0.00094  -0.00095   1.88802
   A140       1.77546   0.00125   0.00000   0.00133   0.00133   1.77678
   A141       1.90340   0.00064   0.00001  -0.00088  -0.00087   1.90253
   A142       1.97937  -0.00074  -0.00004   0.00124   0.00120   1.98057
   A143       1.98054   0.00223   0.00002   0.00056   0.00058   1.98112
   A144       1.92330  -0.00025   0.00002  -0.00132  -0.00130   1.92200
   A145       2.26061  -0.00175  -0.00004  -0.00003  -0.00008   2.26052
   A146       2.11118   0.00198   0.00004  -0.00062  -0.00058   2.11060
   A147       1.90961  -0.00026  -0.00001   0.00021   0.00019   1.90980
   A148       2.01352   0.00073   0.00001   0.00012   0.00013   2.01365
   A149       2.21163  -0.00040   0.00000  -0.00061  -0.00061   2.21102
   A150       2.05803  -0.00033  -0.00001   0.00049   0.00048   2.05851
   A151       1.94904  -0.00019   0.00001  -0.00061  -0.00059   1.94845
   A152       1.97394  -0.00022  -0.00001   0.00035   0.00032   1.97426
   A153       2.18565  -0.00006   0.00001  -0.00043  -0.00046   2.18518
   A154       2.12354   0.00030   0.00000   0.00023   0.00020   2.12374
   A155       1.57863  -0.00007   0.00000  -0.00010  -0.00010   1.57853
   A156       1.96141   0.00031   0.00010  -0.00180  -0.00170   1.95971
   A157       1.92044   0.00057  -0.00005   0.00225   0.00220   1.92264
   A158       1.85932  -0.00048  -0.00002  -0.00161  -0.00162   1.85769
   A159       1.93582  -0.00020   0.00002   0.00088   0.00090   1.93672
   A160       1.88341   0.00009  -0.00002   0.00224   0.00222   1.88563
   A161       1.90060  -0.00034  -0.00003  -0.00212  -0.00215   1.89845
   A162       1.95099  -0.00010   0.00004  -0.00351  -0.00347   1.94752
   A163       1.95628   0.00157   0.00007   0.00031   0.00039   1.95667
   A164       1.94460  -0.00030   0.00004  -0.00051  -0.00047   1.94413
   A165       1.86504  -0.00094  -0.00005  -0.00055  -0.00061   1.86444
   A166       1.85251   0.00073  -0.00013   0.00806   0.00793   1.86044
   A167       1.88924  -0.00106   0.00002  -0.00344  -0.00342   1.88582
   A168       1.93507  -0.00026  -0.00002  -0.00049  -0.00051   1.93456
   A169       1.96206   0.00001   0.00001   0.00078   0.00078   1.96284
   A170       1.96031   0.00005   0.00001   0.00054   0.00055   1.96085
   A171       1.85082   0.00002  -0.00001   0.00079   0.00078   1.85160
   A172       1.86483   0.00001   0.00000  -0.00150  -0.00151   1.86332
   A173       1.88473   0.00017   0.00001  -0.00021  -0.00020   1.88454
   A174       1.91509   0.00015   0.00001  -0.00024  -0.00024   1.91485
   A175       2.23664   0.00008   0.00004  -0.00150  -0.00147   2.23518
   A176       2.13145  -0.00023  -0.00005   0.00177   0.00171   2.13315
   A177       1.58074   0.00001  -0.00001   0.00012   0.00012   1.58086
    D1        1.10004  -0.00013   0.00011   0.00809   0.00820   1.10824
    D2       -3.03394   0.00008   0.00013   0.00779   0.00792  -3.02602
    D3       -0.98103  -0.00001   0.00012   0.00806   0.00818  -0.97285
    D4       -3.09753  -0.00012   0.00010   0.00796   0.00806  -3.08947
    D5       -0.94832   0.00009   0.00012   0.00766   0.00778  -0.94054
    D6        1.10459   0.00000   0.00011   0.00792   0.00803   1.11262
    D7       -0.99241  -0.00012   0.00012   0.00714   0.00726  -0.98515
    D8        1.15680   0.00010   0.00014   0.00684   0.00698   1.16378
    D9       -3.07347   0.00000   0.00013   0.00711   0.00723  -3.06624
   D10        1.00758   0.00000   0.00007   0.00493   0.00500   1.01258
   D11        3.11291   0.00005   0.00008   0.00494   0.00502   3.11794
   D12       -1.08374   0.00002   0.00008   0.00432   0.00440  -1.07934
   D13       -1.14185  -0.00001   0.00007   0.00529   0.00535  -1.13650
   D14        0.96348   0.00004   0.00007   0.00530   0.00538   0.96885
   D15        3.05001   0.00001   0.00007   0.00468   0.00475   3.05476
   D16        3.08895  -0.00009   0.00007   0.00492   0.00499   3.09394
   D17       -1.08891  -0.00004   0.00008   0.00494   0.00502  -1.08389
   D18        0.99763  -0.00006   0.00008   0.00431   0.00439   1.00202
   D19        2.04792  -0.00010  -0.00005  -0.00256  -0.00261   2.04531
   D20       -1.10051   0.00005   0.00000   0.00013   0.00012  -1.10039
   D21       -2.07063  -0.00007  -0.00004  -0.00267  -0.00271  -2.07334
   D22        1.06412   0.00007   0.00001   0.00001   0.00002   1.06415
   D23       -0.01177  -0.00002  -0.00005  -0.00254  -0.00259  -0.01437
   D24        3.12298   0.00013   0.00000   0.00014   0.00014   3.12312
   D25       -3.13751  -0.00003  -0.00002   0.00149   0.00147  -3.13604
   D26        0.01038  -0.00016  -0.00006  -0.00098  -0.00104   0.00933
   D27        3.13686   0.00006   0.00001  -0.00035  -0.00034   3.13652
   D28       -0.01066   0.00019   0.00005   0.00198   0.00203  -0.00863
   D29        3.12653   0.00001   0.00001  -0.00213  -0.00212   3.12441
   D30       -0.00453   0.00004   0.00004  -0.00094  -0.00089  -0.00543
   D31        2.15852  -0.00014  -0.00009   0.00820   0.00811   2.16663
   D32       -1.96594   0.00004  -0.00005   0.00730   0.00725  -1.95869
   D33        0.04945  -0.00003  -0.00008   0.00909   0.00901   0.05846
   D34       -0.99511  -0.00018  -0.00012   0.00684   0.00673  -0.98838
   D35        1.16362   0.00000  -0.00008   0.00594   0.00586   1.16948
   D36       -3.10418  -0.00007  -0.00011   0.00774   0.00763  -3.09655
   D37       -0.00366   0.00010   0.00000   0.00240   0.00240  -0.00126
   D38        3.14130  -0.00004   0.00003  -0.00485  -0.00481   3.13649
   D39       -3.13339   0.00014   0.00003   0.00373   0.00376  -3.12963
   D40        0.01158  -0.00001   0.00006  -0.00351  -0.00345   0.00813
   D41       -1.21635   0.00000  -0.00022   0.01798   0.01775  -1.19860
   D42        1.31287  -0.00021  -0.00009   0.00202   0.00193   1.31481
   D43        2.91091   0.00005  -0.00026   0.01912   0.01886   2.92977
   D44       -0.84305  -0.00017  -0.00012   0.00317   0.00305  -0.84000
   D45        0.91242   0.00016  -0.00024   0.01825   0.01801   0.93043
   D46       -2.84154  -0.00006  -0.00010   0.00230   0.00220  -2.83934
   D47       -1.15136  -0.00007   0.00008  -0.00990  -0.00981  -1.16117
   D48        3.06707  -0.00005   0.00007  -0.00858  -0.00850   3.05857
   D49        0.95970  -0.00011   0.00009  -0.01050  -0.01040   0.94930
   D50        2.56381   0.00007  -0.00006   0.00496   0.00490   2.56871
   D51        0.49906   0.00009  -0.00007   0.00628   0.00620   0.50527
   D52       -1.60831   0.00003  -0.00005   0.00436   0.00431  -1.60401
   D53       -2.83899   0.00070  -0.00003   0.02507   0.02503  -2.81395
   D54        0.36375  -0.00085  -0.00029   0.02090   0.02060   0.38435
   D55       -0.31770   0.00087   0.00011   0.00893   0.00905  -0.30865
   D56        2.88504  -0.00068  -0.00015   0.00476   0.00461   2.88965
   D57        2.81290   0.00089   0.00006   0.01771   0.01778   2.83069
   D58        0.33771   0.00076  -0.00019   0.02766   0.02746   0.36517
   D59       -0.26822  -0.00060  -0.00019   0.01355   0.01336  -0.25486
   D60       -2.74342  -0.00072  -0.00045   0.02350   0.02304  -2.72038
   D61       -1.62507   0.00058  -0.00018   0.02746   0.02729  -1.59778
   D62        2.53373  -0.00012  -0.00020   0.02652   0.02633   2.56005
   D63        0.47014  -0.00012  -0.00016   0.02733   0.02716   0.49730
   D64        0.88517   0.00039   0.00008   0.01706   0.01715   0.90232
   D65       -1.23922  -0.00032   0.00006   0.01612   0.01618  -1.22303
   D66        2.98038  -0.00032   0.00009   0.01693   0.01702   2.99739
   D67       -0.58003   0.00018  -0.00003  -0.01429  -0.01432  -0.59435
   D68        2.57321  -0.00057  -0.00026  -0.00462  -0.00488   2.56833
   D69        1.51844  -0.00018   0.00006  -0.01352  -0.01345   1.50498
   D70       -1.61151  -0.00093  -0.00017  -0.00385  -0.00401  -1.61552
   D71       -2.65657   0.00043  -0.00007  -0.01092  -0.01099  -2.66756
   D72        0.49666  -0.00033  -0.00029  -0.00125  -0.00155   0.49511
   D73        1.07946  -0.00076  -0.00019   0.00444   0.00425   1.08371
   D74       -3.03726  -0.00037  -0.00014   0.00596   0.00582  -3.03144
   D75       -0.97966  -0.00074  -0.00021   0.00371   0.00350  -0.97616
   D76       -1.01881  -0.00029  -0.00026   0.00047   0.00021  -1.01860
   D77        1.14765   0.00010  -0.00021   0.00200   0.00179   1.14944
   D78       -3.07794  -0.00027  -0.00028  -0.00025  -0.00053  -3.07847
   D79        3.14079  -0.00059  -0.00017  -0.00096  -0.00113   3.13965
   D80       -0.97594  -0.00020  -0.00011   0.00056   0.00045  -0.97550
   D81        1.08166  -0.00057  -0.00019  -0.00169  -0.00188   1.07978
   D82        3.11972   0.00071   0.00008  -0.01317  -0.01309   3.10663
   D83        0.10831   0.00065   0.00007  -0.01662  -0.01655   0.09176
   D84       -0.01042  -0.00004  -0.00015  -0.00366  -0.00380  -0.01422
   D85       -3.02182  -0.00010  -0.00016  -0.00711  -0.00727  -3.02909
   D86        2.56558  -0.00016   0.00007   0.00968   0.00976   2.57534
   D87       -1.54725   0.00082   0.00009   0.00868   0.00877  -1.53848
   D88        0.52380  -0.00072   0.00009   0.01014   0.01023   0.53404
   D89       -0.70027  -0.00004   0.00008   0.01303   0.01311  -0.68716
   D90        1.47008   0.00093   0.00010   0.01202   0.01213   1.48221
   D91       -2.74204  -0.00060   0.00010   0.01349   0.01359  -2.72846
   D92        1.06058   0.00069  -0.00003  -0.00134  -0.00137   1.05922
   D93       -1.09195   0.00072  -0.00004  -0.00036  -0.00040  -1.09234
   D94       -3.06858   0.00078  -0.00004  -0.00068  -0.00072  -3.06929
   D95       -1.09494  -0.00045  -0.00006  -0.00159  -0.00165  -1.09659
   D96        3.03572  -0.00042  -0.00007  -0.00061  -0.00068   3.03503
   D97        1.05909  -0.00036  -0.00007  -0.00093  -0.00100   1.05808
   D98        3.10147  -0.00035  -0.00005  -0.00329  -0.00334   3.09813
   D99        0.94894  -0.00032  -0.00007  -0.00231  -0.00237   0.94656
   D100      -1.02769  -0.00026  -0.00007  -0.00262  -0.00269  -1.03038
   D101       1.28161  -0.00446  -0.00002   0.00942   0.00940   1.29101
   D102      -0.84632  -0.00220   0.00002   0.00924   0.00926  -0.83706
   D103      -2.86305  -0.00326   0.00001   0.01045   0.01046  -2.85259
   D104      -2.85995  -0.00188   0.00001   0.00821   0.00823  -2.85173
   D105       1.29530   0.00038   0.00005   0.00804   0.00809   1.30339
   D106      -0.72143  -0.00068   0.00004   0.00925   0.00929  -0.71214
   D107      -0.78074  -0.00168   0.00000   0.00964   0.00964  -0.77110
   D108      -2.90868   0.00058   0.00004   0.00946   0.00950  -2.89917
   D109       1.35778  -0.00048   0.00003   0.01068   0.01071   1.36849
   D110      -1.64516   0.00001  -0.00004  -0.00458  -0.00461  -1.64977
   D111       1.50453   0.00004  -0.00004  -0.00455  -0.00459   1.49994
   D112       0.49572  -0.00002  -0.00003  -0.00541  -0.00543   0.49029
   D113      -2.63778   0.00001  -0.00003  -0.00538  -0.00541  -2.64319
   D114       2.49753  -0.00019  -0.00002  -0.00553  -0.00555   2.49197
   D115      -0.63597  -0.00016  -0.00003  -0.00550  -0.00553  -0.64150
   D116       3.13928   0.00001   0.00000   0.00002   0.00002   3.13930
   D117      -0.01912   0.00003   0.00000   0.00018   0.00018  -0.01894
   D118      -0.01033  -0.00002   0.00000   0.00000   0.00000  -0.01033
   D119       3.11446   0.00001   0.00001   0.00015   0.00016   3.11462
   D120      -3.13864  -0.00002   0.00000  -0.00009  -0.00009  -3.13873
   D121       0.00818   0.00000  -0.00001   0.00017   0.00016   0.00834
   D122       0.01100   0.00001   0.00000  -0.00006  -0.00007   0.01094
   D123      -3.12537   0.00002  -0.00001   0.00020   0.00019  -3.12518
   D124       0.00183   0.00002   0.00000   0.00010   0.00010   0.00193
   D125       3.13837   0.00003   0.00001   0.00024   0.00024   3.13861
   D126      -3.12304  -0.00001  -0.00001  -0.00005  -0.00006  -3.12309
   D127       0.01351   0.00000   0.00000   0.00008   0.00008   0.01359
   D128       0.00605  -0.00001   0.00000  -0.00014  -0.00014   0.00591
   D129      -3.14158   0.00001   0.00001   0.00014   0.00015  -3.14143
   D130      -3.13049  -0.00002  -0.00001  -0.00027  -0.00028  -3.13077
   D131       0.00507   0.00000   0.00000   0.00000   0.00000   0.00508
   D132      -0.00537   0.00000   0.00000   0.00007   0.00007  -0.00529
   D133       3.13362   0.00000   0.00000   0.00022   0.00022   3.13384
   D134      -3.14092  -0.00002  -0.00001  -0.00021  -0.00021  -3.14114
   D135      -0.00194  -0.00001   0.00000  -0.00006  -0.00006  -0.00200
   D136      -0.00320   0.00000   0.00000   0.00003   0.00003  -0.00316
   D137       3.13320  -0.00001   0.00001  -0.00023  -0.00022   3.13298
   D138       3.14101   0.00000   0.00000  -0.00012  -0.00012   3.14089
   D139      -0.00578  -0.00002   0.00001  -0.00038  -0.00037  -0.00615
   D140      -1.70481  -0.00043   0.00004  -0.01871  -0.01867  -1.72347
   D141       2.58925  -0.00187   0.00009  -0.01952  -0.01943   2.56983
   D142       0.38913  -0.00190   0.00004  -0.02185  -0.02181   0.36732
   D143       0.43845  -0.00058   0.00001  -0.01817  -0.01817   0.42028
   D144      -1.55068  -0.00201   0.00006  -0.01898  -0.01893  -1.56960
   D145       2.53239  -0.00205   0.00000  -0.02131  -0.02131   2.51108
   D146       2.45056   0.00042   0.00000  -0.01888  -0.01888   2.43168
   D147       0.46143  -0.00102   0.00005  -0.01969  -0.01964   0.44179
   D148      -1.73869  -0.00106  -0.00001  -0.02202  -0.02202  -1.76071
   D149       1.77546  -0.00264  -0.00026  -0.04381  -0.04407   1.73139
   D150      -2.39332   0.00225  -0.00034  -0.04084  -0.04119  -2.43451
   D151      -0.34258  -0.00009  -0.00030  -0.04268  -0.04298  -0.38556
   D152      -1.14237  -0.00120   0.00016  -0.01987  -0.01971  -1.16208
   D153       2.96801  -0.00137   0.00014  -0.02482  -0.02468   2.94333
   D154       0.98025  -0.00145   0.00013  -0.02285  -0.02272   0.95752
   D155       3.09276   0.00029   0.00023  -0.02160  -0.02137   3.07139
   D156       0.91995   0.00011   0.00020  -0.02654  -0.02634   0.89361
   D157      -1.06781   0.00003   0.00019  -0.02458  -0.02439  -1.09220
   D158       1.06284  -0.00016   0.00022  -0.01749  -0.01728   1.04556
   D159      -1.10997  -0.00033   0.00019  -0.02244  -0.02225  -1.13221
   D160      -3.09773  -0.00041   0.00018  -0.02048  -0.02029  -3.11802
   D161       2.92422   0.00144   0.00001  -0.00154  -0.00152   2.92270
   D162      -1.21493   0.00101  -0.00008  -0.00143  -0.00151  -1.21644
   D163       0.79309   0.00108  -0.00009  -0.00081  -0.00090   0.79218
   D164      -1.23874  -0.00041   0.00010   0.00386   0.00396  -1.23478
   D165       0.90530  -0.00084   0.00000   0.00397   0.00397   0.90927
   D166       2.91332  -0.00077  -0.00001   0.00458   0.00458   2.91789
   D167       0.80544   0.00013   0.00007  -0.00093  -0.00087   0.80458
   D168       2.94948  -0.00030  -0.00002  -0.00083  -0.00085   2.94862
   D169      -1.32569  -0.00024  -0.00003  -0.00021  -0.00025  -1.32594
   D170       1.23964  -0.00403   0.00032  -0.02003  -0.01970   1.21994
   D171      -1.14840  -0.00233   0.00036  -0.01019  -0.00982  -1.15822
   D172      -0.91755  -0.00243   0.00031  -0.02365  -0.02334  -0.94089
   D173       2.97759  -0.00073   0.00036  -0.01381  -0.01345   2.96414
   D174      -3.00784  -0.00251   0.00032  -0.01911  -0.01879  -3.02664
   D175       0.88730  -0.00081   0.00036  -0.00927  -0.00891   0.87839
   D176       1.68052  -0.00032  -0.00024  -0.00666  -0.00690   1.67362
   D177      -1.46559  -0.00026  -0.00021  -0.00691  -0.00712  -1.47271
   D178      -0.46829   0.00015  -0.00015  -0.00654  -0.00669  -0.47498
   D179       2.66879   0.00020  -0.00013  -0.00679  -0.00692   2.66188
   D180      -2.47659  -0.00012  -0.00013  -0.00828  -0.00841  -2.48500
   D181       0.66049  -0.00007  -0.00010  -0.00853  -0.00864   0.65186
   D182       3.13389   0.00003   0.00002   0.00008   0.00010   3.13399
   D183      -0.01506  -0.00002   0.00002  -0.00050  -0.00048  -0.01554
   D184      -0.00322  -0.00002  -0.00001   0.00033   0.00032  -0.00290
   D185       3.13102  -0.00008  -0.00001  -0.00024  -0.00025   3.13077
   D186      -3.13406  -0.00002  -0.00001   0.00013   0.00011  -3.13395
   D187       0.00899  -0.00004  -0.00002   0.00024   0.00022   0.00921
   D188       0.00304   0.00003   0.00001  -0.00012  -0.00011   0.00293
   D189      -3.13709   0.00001   0.00001  -0.00001   0.00000  -3.13710
   D190       0.00087  -0.00001   0.00000  -0.00039  -0.00038   0.00048
   D191       3.14143  -0.00003   0.00000  -0.00054  -0.00054   3.14089
   D192      -3.13332   0.00005   0.00000   0.00019   0.00020  -3.13312
   D193       0.00725   0.00003   0.00000   0.00004   0.00004   0.00729
   D194       0.00167   0.00002   0.00000   0.00023   0.00023   0.00191
   D195      -3.14051  -0.00001   0.00000  -0.00007  -0.00007  -3.14058
   D196      -3.13889   0.00004   0.00001   0.00038   0.00039  -3.13850
   D197       0.00211   0.00001   0.00000   0.00009   0.00009   0.00220
   D198      -0.00185  -0.00001   0.00000  -0.00002  -0.00002  -0.00188
   D199       3.13948  -0.00002   0.00000  -0.00019  -0.00019   3.13930
   D200       3.14034   0.00002   0.00000   0.00028   0.00028   3.14062
   D201      -0.00151   0.00002   0.00000   0.00011   0.00011  -0.00140
   D202      -0.00051  -0.00002  -0.00001  -0.00003  -0.00004  -0.00055
   D203       3.13963   0.00000   0.00000  -0.00014  -0.00014   3.13948
   D204       3.14134  -0.00001   0.00000   0.00013   0.00013   3.14147
   D205      -0.00171   0.00001   0.00000   0.00002   0.00002  -0.00169
   D206       0.68762  -0.00099   0.00030   0.00141   0.00170   0.68932
   D207      -2.53248   0.00130   0.00007   0.00967   0.00973  -2.52275
   D208       3.05192  -0.00199   0.00026  -0.00810  -0.00784   3.04408
   D209      -0.16818   0.00031   0.00003   0.00016   0.00019  -0.16799
   D210       3.07473  -0.00618   0.00006  -0.01120  -0.01114   3.06360
   D211      -0.13776  -0.00400  -0.00014  -0.00370  -0.00384  -0.14160
   D212      -1.41166  -0.00235  -0.00010   0.00233   0.00222  -1.40944
   D213       2.78223  -0.00072  -0.00005   0.00066   0.00060   2.78283
   D214       0.75053  -0.00131  -0.00008   0.00186   0.00178   0.75231
   D215      -1.27860  -0.00007  -0.00014  -0.05421  -0.05435  -1.33295
   D216       1.79155  -0.00064  -0.00025  -0.06294  -0.06319   1.72835
   D217       0.67741  -0.00093  -0.00017  -0.05250  -0.05267   0.62474
   D218      -2.53563  -0.00150  -0.00028  -0.06124  -0.06152  -2.59714
   D219       2.88947   0.00001  -0.00015  -0.05279  -0.05294   2.83653
   D220      -0.32357  -0.00056  -0.00027  -0.06152  -0.06179  -0.38536
   D221       3.08356  -0.00030  -0.00005  -0.00372  -0.00377   3.07979
   D222      -0.05522  -0.00028   0.00002  -0.00557  -0.00556  -0.06078
   D223       0.00692   0.00013   0.00006   0.00425   0.00430   0.01122
   D224      -3.13186   0.00015   0.00012   0.00239   0.00251  -3.12935
   D225      -3.08780   0.00032  -0.00003   0.00118   0.00115  -3.08665
   D226      -0.00462  -0.00022  -0.00012  -0.00597  -0.00609  -0.01071
   D227      -0.00599   0.00008   0.00007   0.00082   0.00089  -0.00510
   D228       3.13305   0.00006   0.00002   0.00250   0.00252   3.13557
   D229       0.00212  -0.00026  -0.00017  -0.00555  -0.00572  -0.00360
   D230       3.13214   0.00098   0.00018   0.00958   0.00976  -3.14129
   D231       0.00146   0.00028   0.00017   0.00680   0.00697   0.00843
   D232      -3.12903  -0.00090  -0.00016  -0.00772  -0.00788  -3.13691
   D233      -1.12748   0.00062  -0.00017  -0.00154  -0.00172  -1.12920
   D234       0.96602   0.00043  -0.00016  -0.00448  -0.00465   0.96137
   D235       3.08614  -0.00003  -0.00006  -0.00907  -0.00913   3.07701
   D236       2.99780  -0.00020  -0.00020  -0.00382  -0.00402   2.99378
   D237      -1.19189  -0.00039  -0.00019  -0.00676  -0.00695  -1.19884
   D238       0.92823  -0.00085  -0.00008  -0.01135  -0.01143   0.91681
   D239       0.91734   0.00027  -0.00016  -0.00313  -0.00329   0.91405
   D240       3.01084   0.00008  -0.00015  -0.00607  -0.00622   3.00462
   D241      -1.15222  -0.00038  -0.00004  -0.01066  -0.01070  -1.16292
   D242       3.00613  -0.00043  -0.00017  -0.00573  -0.00590   3.00023
   D243      -1.20872  -0.00058  -0.00019  -0.00455  -0.00474  -1.21346
   D244       0.92119  -0.00031  -0.00016  -0.00384  -0.00400   0.91718
   D245      -1.09585   0.00023  -0.00007  -0.00579  -0.00586  -1.10170
   D246       0.97248   0.00009  -0.00009  -0.00461  -0.00469   0.96779
   D247       3.10240   0.00036  -0.00006  -0.00390  -0.00396   3.09843
   D248       0.97424   0.00002  -0.00010  -0.00384  -0.00394   0.97030
   D249       3.04257  -0.00013  -0.00012  -0.00266  -0.00278   3.03980
   D250      -1.11070   0.00014  -0.00009  -0.00195  -0.00204  -1.11274
   D251       0.00771  -0.00016  -0.00002  -0.00240  -0.00242   0.00529
   D252      -3.13701  -0.00002  -0.00005   0.00432   0.00428  -3.13273
         Item               Value     Threshold  Converged?
 Maximum Force            0.008483     0.000450     NO 
 RMS     Force            0.001199     0.000300     NO 
 Maximum Displacement     0.353492     0.001800     NO 
 RMS     Displacement     0.082286     0.001200     NO 
 Predicted change in Energy=-7.084828D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.340191   -2.358813    1.316040
      2          6           0       -9.164037   -1.363344    0.165751
      3          6           0      -10.191605   -0.229349    0.231516
      4          6           0       -7.775472   -0.806061    0.169481
      5          7           0       -6.876121   -0.945459   -0.775682
      6          6           0       -5.655339   -0.297336   -0.456274
      7          6           0       -4.540349   -0.409086   -1.458561
      8          7           0       -4.005554    0.895224   -1.919659
      9          6           0       -4.960360    1.671693   -2.757807
     10          6           0       -3.154907    1.677339   -1.092093
     11          8           0       -2.978783    2.872971   -1.294961
     12          7           0       -2.452210    1.006668   -0.052267
     13          6           0       -1.293031    1.719632    0.522426
     14          6           0       -0.017607    1.314487   -0.244374
     15          8           0        0.150387    0.190006   -0.703579
     16          7           0        0.956537    2.294279   -0.368291
     17          6           0        2.254956    2.022722   -1.046607
     18          6           0        2.745332    3.308760   -1.746397
     19          6           0        2.981507    4.466578   -0.815583
     20          6           0        1.969186    5.417342   -0.606705
     21          6           0        2.183898    6.492530    0.259187
     22          6           0        3.408204    6.630045    0.921208
     23          6           0        4.421336    5.690148    0.707970
     24          6           0        4.212376    4.612959   -0.157700
     25          6           0        3.294850    1.468392   -0.046074
     26          6           0        3.002238    0.010901    0.335193
     27          8           0        2.314914   -0.004736    1.605212
     28          6           0        4.275775   -0.842640    0.622243
     29          6           0        5.118997   -1.041218   -0.647756
     30          6           0        6.482627   -1.593575   -0.328406
     31          6           0        6.718880   -2.974601   -0.410004
     32          6           0        7.986631   -3.485378   -0.122411
     33          6           0        9.025197   -2.624347    0.248320
     34          6           0        8.790773   -1.248466    0.332887
     35          6           0        7.524350   -0.731131    0.046393
     36          7           0        3.835735   -2.129089    1.241098
     37          6           0        3.153999   -3.059797    0.453748
     38          8           0        3.334660   -3.387589   -0.700541
     39          8           0        2.201740   -3.686738    1.261261
     40          6           0        1.315190   -4.628233    0.584660
     41          6           0        0.244748   -3.856120   -0.082137
     42          6           0       -0.864425   -3.254770    0.458038
     43          7           0       -1.656203   -2.523599   -0.448439
     44          6           0       -1.156831   -2.558570   -1.668099
     45         16           0        0.330051   -3.493112   -1.779316
     46          6           0       -1.182009    1.365408    2.033668
     47          6           0       -0.937729   -0.123713    2.262630
     48          6           0       -0.087508    2.207985    2.694076
     49          6           0       -5.634017    0.348046    0.747351
     50         16           0       -7.167926    0.165969    1.536036
     51          1           0      -10.313306   -2.860138    1.253593
     52          1           0       -8.568256   -3.138849    1.292674
     53          1           0       -9.287364   -1.874386    2.297897
     54          1           0       -9.309023   -1.916119   -0.806379
     55          1           0      -10.140774    0.324492    1.176232
     56          1           0      -10.044336    0.492628   -0.581577
     57          1           0      -11.211633   -0.621134    0.140599
     58          1           0       -3.713488   -1.028549   -1.030325
     59          1           0       -4.899182   -0.966205   -2.362995
     60          1           0       -5.121045    1.132626   -3.705548
     61          1           0       -4.533873    2.666140   -2.995960
     62          1           0       -5.933703    1.823996   -2.264152
     63          1           0       -2.313874   -0.012602   -0.124714
     64          1           0       -1.474761    2.829789    0.420168
     65          1           0        0.863470    3.196519    0.093213
     66          1           0        2.068987    1.242946   -1.843972
     67          1           0        2.007083    3.594332   -2.528860
     68          1           0        3.673119    3.076303   -2.310253
     69          1           0        1.017991    5.328528   -1.131167
     70          1           0        1.395552    7.228238    0.414803
     71          1           0        3.573214    7.468048    1.595206
     72          1           0        5.378559    5.798414    1.216474
     73          1           0        5.010145    3.892037   -0.322554
     74          1           0        3.320722    2.087245    0.876007
     75          1           0        4.306910    1.556775   -0.485141
     76          1           0        2.356854   -0.487174   -0.431051
     77          1           0        1.332215   -0.110370    1.451034
     78          1           0        4.896598   -0.335757    1.412292
     79          1           0        4.591426   -1.714892   -1.366709
     80          1           0        5.216454   -0.072965   -1.181643
     81          1           0        5.904024   -3.646002   -0.692123
     82          1           0        8.165788   -4.557249   -0.186185
     83          1           0       10.011444   -3.024385    0.470781
     84          1           0        9.596672   -0.577181    0.623157
     85          1           0        7.350052    0.339061    0.116414
     86          1           0        3.420090   -1.972174    2.175886
     87          1           0        0.952636   -5.246182    1.430519
     88          1           0        1.913265   -5.249956   -0.113573
     89          1           0       -1.180030   -3.289263    1.496305
     90          1           0       -1.588351   -2.071425   -2.533418
     91          1           0       -2.170666    1.630731    2.495748
     92          1           0       -1.789343   -0.729382    1.925122
     93          1           0       -0.049836   -0.488101    1.716242
     94          1           0       -0.796969   -0.346864    3.326819
     95          1           0       -0.095076    2.073605    3.783503
     96          1           0        0.921720    1.924075    2.358701
     97          1           0       -0.216845    3.278812    2.507190
     98          1           0       -4.819676    0.898260    1.192941
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0768573      0.0287415      0.0228468
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3625.4426340682 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.251841997554     A.U. after   17 cycles
             Convg  =    0.9482D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000186892    0.000204161    0.000137463
      2        6           0.000200101   -0.000198269   -0.000196905
      3        6           0.000026236    0.000209421   -0.000085564
      4        6          -0.000290758    0.000281979   -0.000524570
      5        7           0.000656698    0.000384675    0.000507116
      6        6          -0.000454080   -0.000820589   -0.000435244
      7        6           0.000308710    0.000443455    0.000365960
      8        7           0.001299266    0.000072884   -0.000320156
      9        6          -0.000101585   -0.000446902   -0.000553162
     10        6          -0.002515331    0.001643353   -0.001315354
     11        8           0.001620807   -0.000942458   -0.000713626
     12        7           0.002310672    0.001734603    0.000374664
     13        6          -0.000459945   -0.001099459   -0.000670037
     14        6          -0.001027905   -0.002277074    0.000647935
     15        8          -0.000431624    0.000610327   -0.000807281
     16        7          -0.001027242    0.000839927   -0.000536483
     17        6          -0.000225384    0.000740415    0.001531047
     18        6          -0.000273178   -0.000835626   -0.000345714
     19        6           0.000081084   -0.000027661   -0.000228827
     20        6          -0.000138444    0.000128948   -0.000164354
     21        6          -0.000159314   -0.000105789    0.000040375
     22        6           0.000122036    0.000135510   -0.000073057
     23        6           0.000015991    0.000089321   -0.000017661
     24        6          -0.000004065   -0.000078671    0.000060162
     25        6           0.000424306    0.001377350    0.000526987
     26        6           0.000016862   -0.000024401   -0.001711908
     27        8           0.000414332   -0.000819661   -0.001639695
     28        6          -0.000513438   -0.001226908   -0.001679295
     29        6          -0.000451998   -0.000409298    0.000366580
     30        6           0.000333755    0.000210552    0.000050204
     31        6           0.000604793    0.000279920   -0.000097082
     32        6           0.000162172   -0.000076019   -0.000095660
     33        6           0.000089165   -0.000008759   -0.000078786
     34        6          -0.000060346    0.000048413    0.000060874
     35        6           0.000202336    0.000145907    0.000084100
     36        7          -0.001509782   -0.002124574    0.001023244
     37        6           0.001315922    0.003657116   -0.001533959
     38        8          -0.000285612    0.000070851    0.000366460
     39        8          -0.001028934    0.001045531    0.000869545
     40        6           0.000423447    0.000544551   -0.000756417
     41        6           0.000727466   -0.000682496    0.000967004
     42        6          -0.001026710    0.000219386    0.000428757
     43        7           0.000462778    0.000186046   -0.000343634
     44        6           0.000607310    0.000458980    0.000569068
     45       16          -0.000840521   -0.000446125   -0.000473822
     46        6           0.000136821   -0.002183953   -0.000171628
     47        6           0.000198852    0.000917669    0.001986310
     48        6           0.000093440   -0.000024452   -0.000116851
     49        6          -0.000691300    0.000182256   -0.000230220
     50       16           0.000297140   -0.000310957    0.000532341
     51        1           0.000037466   -0.000066877   -0.000012200
     52        1           0.000065003    0.000033525   -0.000005278
     53        1           0.000058313   -0.000094375    0.000110469
     54        1          -0.000005186    0.000051259    0.000062473
     55        1           0.000173238   -0.000055162    0.000042196
     56        1           0.000039704   -0.000013291    0.000020961
     57        1           0.000023817   -0.000018150    0.000017846
     58        1          -0.000812102    0.000288087    0.000792935
     59        1          -0.000340695   -0.000045615    0.000096914
     60        1          -0.000025623   -0.000002574    0.000126506
     61        1           0.000100276    0.000090245    0.000141908
     62        1           0.000002922   -0.000032241   -0.000066097
     63        1          -0.000409759    0.001264564    0.000686547
     64        1          -0.000022736   -0.000264308   -0.000194332
     65        1           0.000363448   -0.000262835   -0.000016091
     66        1           0.000630087   -0.000670700    0.000592849
     67        1           0.000015439    0.000007008    0.000058093
     68        1          -0.000007075   -0.000036976   -0.000191965
     69        1          -0.000032821   -0.000070770    0.000042352
     70        1           0.000029802    0.000000168    0.000016094
     71        1          -0.000017528   -0.000036125    0.000020354
     72        1          -0.000011769    0.000003403    0.000004211
     73        1           0.000043997   -0.000031399   -0.000031373
     74        1           0.000349667    0.000364691    0.000185188
     75        1          -0.000301455   -0.000105367   -0.000046204
     76        1           0.000324482   -0.000360524    0.000156916
     77        1          -0.000211905   -0.000343299    0.000344009
     78        1           0.000202875   -0.000290084   -0.000304001
     79        1           0.000107727   -0.000119208    0.000458098
     80        1           0.000092339    0.000182150   -0.000046750
     81        1           0.000028028   -0.000372867   -0.000032537
     82        1           0.000012042    0.000047989    0.000032912
     83        1          -0.000043673   -0.000023160    0.000025877
     84        1          -0.000011301   -0.000009966   -0.000010100
     85        1          -0.000033551   -0.000026088   -0.000031798
     86        1           0.000009495   -0.000754772    0.001298631
     87        1           0.000359893   -0.000494212   -0.000041482
     88        1           0.000172161    0.000112872    0.000482654
     89        1           0.000003493    0.000176403   -0.000034200
     90        1           0.000313155   -0.000600801   -0.001000845
     91        1          -0.000266132   -0.000598956   -0.000359432
     92        1          -0.000413461    0.000836204   -0.000309480
     93        1           0.000163681    0.000644116    0.001060758
     94        1          -0.000792088   -0.000335901   -0.000173548
     95        1           0.000073976    0.000165724    0.000002220
     96        1           0.000212974    0.000109586    0.000330001
     97        1           0.000076337    0.000100958    0.000055712
     98        1           0.000224914   -0.000035753    0.000062788
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003657116 RMS     0.000640144

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005280683 RMS     0.000854587
 Search for a local minimum.
 Step number  47 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   43   42   45   44   46
                                                     47
 DE= -7.73D-04 DEPred=-7.08D-04 R= 1.09D+00
 SS=  1.41D+00  RLast= 2.21D-01 DXNew= 3.7222D-01 6.6432D-01
 Trust test= 1.09D+00 RLast= 2.21D-01 DXMaxT set to 3.72D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00105   0.00147   0.00205   0.00247   0.00318
     Eigenvalues ---    0.00366   0.00450   0.00539   0.00582   0.00661
     Eigenvalues ---    0.00733   0.00755   0.00870   0.00935   0.00942
     Eigenvalues ---    0.00982   0.01055   0.01159   0.01179   0.01229
     Eigenvalues ---    0.01272   0.01315   0.01401   0.01417   0.01447
     Eigenvalues ---    0.01462   0.01504   0.01608   0.01621   0.01743
     Eigenvalues ---    0.01753   0.01820   0.01927   0.02019   0.02087
     Eigenvalues ---    0.02194   0.02203   0.02205   0.02220   0.02257
     Eigenvalues ---    0.02263   0.02269   0.02291   0.02327   0.02372
     Eigenvalues ---    0.02404   0.02408   0.02414   0.02448   0.02482
     Eigenvalues ---    0.02485   0.02486   0.02527   0.02528   0.02660
     Eigenvalues ---    0.02696   0.02732   0.02940   0.03212   0.03563
     Eigenvalues ---    0.03733   0.04031   0.04072   0.04173   0.04247
     Eigenvalues ---    0.04460   0.04513   0.04688   0.04848   0.04946
     Eigenvalues ---    0.05045   0.05149   0.05162   0.05227   0.05311
     Eigenvalues ---    0.05396   0.05416   0.05449   0.05506   0.05574
     Eigenvalues ---    0.05611   0.05699   0.05731   0.05756   0.05806
     Eigenvalues ---    0.05836   0.05898   0.05945   0.05985   0.06067
     Eigenvalues ---    0.06362   0.06515   0.06711   0.06890   0.07076
     Eigenvalues ---    0.07509   0.07627   0.08161   0.08370   0.08629
     Eigenvalues ---    0.08731   0.09377   0.09727   0.09845   0.10357
     Eigenvalues ---    0.11926   0.12900   0.13114   0.13301   0.13458
     Eigenvalues ---    0.13706   0.13785   0.14272   0.14748   0.15514
     Eigenvalues ---    0.15692   0.15843   0.15944   0.15969   0.15979
     Eigenvalues ---    0.15984   0.15992   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16003   0.16009
     Eigenvalues ---    0.16014   0.16026   0.16048   0.16054   0.16080
     Eigenvalues ---    0.16112   0.16198   0.16342   0.16807   0.16951
     Eigenvalues ---    0.17208   0.17559   0.17957   0.18357   0.18481
     Eigenvalues ---    0.19071   0.19302   0.20179   0.20465   0.21307
     Eigenvalues ---    0.21779   0.21969   0.21983   0.22000   0.22001
     Eigenvalues ---    0.22017   0.22072   0.22386   0.22416   0.22975
     Eigenvalues ---    0.23452   0.23475   0.23542   0.23667   0.23784
     Eigenvalues ---    0.24084   0.24229   0.24579   0.24680   0.24793
     Eigenvalues ---    0.25005   0.25032   0.25085   0.25243   0.25473
     Eigenvalues ---    0.25709   0.26339   0.28088   0.29182   0.29347
     Eigenvalues ---    0.29782   0.29844   0.29913   0.30132   0.30235
     Eigenvalues ---    0.30415   0.30603   0.30729   0.30954   0.31332
     Eigenvalues ---    0.31403   0.31427   0.31500   0.31607   0.31663
     Eigenvalues ---    0.31704   0.31947   0.32023   0.32151   0.32324
     Eigenvalues ---    0.32464   0.32586   0.32649   0.32766   0.32811
     Eigenvalues ---    0.32832   0.32901   0.32926   0.33038   0.33065
     Eigenvalues ---    0.33139   0.33179   0.33289   0.33340   0.33503
     Eigenvalues ---    0.33568   0.33657   0.33682   0.33692   0.33718
     Eigenvalues ---    0.33946   0.33980   0.34009   0.34118   0.34181
     Eigenvalues ---    0.34239   0.34361   0.34374   0.34492   0.34515
     Eigenvalues ---    0.34569   0.34713   0.35306   0.35342   0.36246
     Eigenvalues ---    0.36311   0.36353   0.36378   0.36630   0.36820
     Eigenvalues ---    0.36942   0.37071   0.38250   0.38694   0.39436
     Eigenvalues ---    0.39977   0.40241   0.41118   0.42328   0.42466
     Eigenvalues ---    0.42872   0.43168   0.43301   0.44337   0.44560
     Eigenvalues ---    0.44978   0.45378   0.46224   0.47598   0.48314
     Eigenvalues ---    0.48399   0.48516   0.48781   0.48850   0.49067
     Eigenvalues ---    0.49906   0.50075   0.50400   0.51062   0.51263
     Eigenvalues ---    0.51395   0.53179   0.56392   0.58197   0.59275
     Eigenvalues ---    0.62942   0.65188   0.69371   0.76221   0.79009
     Eigenvalues ---    0.84270   0.96230   1.527801000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-1.44680560D-03 EMin= 1.05231744D-03
 Quartic linear search produced a step of  0.79827.
 Iteration  1 RMS(Cart)=  0.12641364 RMS(Int)=  0.00327171
 Iteration  2 RMS(Cart)=  0.00815417 RMS(Int)=  0.00001669
 Iteration  3 RMS(Cart)=  0.00002287 RMS(Int)=  0.00001346
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001346
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89391   0.00024  -0.00035   0.00052   0.00017   2.89408
    R2        2.07197  -0.00003   0.00001  -0.00014  -0.00013   2.07184
    R3        2.07430  -0.00005   0.00041   0.00012   0.00053   2.07483
    R4        2.07139   0.00015  -0.00021   0.00007  -0.00014   2.07125
    R5        2.89453   0.00019   0.00036   0.00054   0.00090   2.89543
    R6        2.82746   0.00037   0.00016   0.00089   0.00105   2.82850
    R7        2.13097   0.00002  -0.00037  -0.00016  -0.00054   2.13043
    R8        2.07165   0.00011  -0.00023   0.00002  -0.00020   2.07145
    R9        2.07359  -0.00002   0.00004   0.00002   0.00006   2.07365
   R10        2.07200   0.00001  -0.00015  -0.00009  -0.00024   2.07177
   R11        2.47950  -0.00008  -0.00017  -0.00009  -0.00026   2.47924
   R12        3.37062   0.00032   0.00044   0.00090   0.00134   3.37196
   R13        2.68074   0.00083  -0.00027   0.00047   0.00020   2.68095
   R14        2.84105   0.00018  -0.00016   0.00098   0.00081   2.84186
   R15        2.58118  -0.00005  -0.00002   0.00016   0.00015   2.58132
   R16        2.80281   0.00118   0.00129   0.00119   0.00248   2.80529
   R17        2.11347   0.00110   0.00054   0.00117   0.00171   2.11518
   R18        2.11881  -0.00008  -0.00042  -0.00041  -0.00083   2.11798
   R19        2.81376   0.00018   0.00079   0.00077   0.00156   2.81531
   R20        2.68592   0.00017   0.00103  -0.00039   0.00064   2.68656
   R21        2.08267  -0.00005  -0.00005  -0.00024  -0.00028   2.08239
   R22        2.09371  -0.00017  -0.00024  -0.00045  -0.00069   2.09302
   R23        2.08238  -0.00002  -0.00015   0.00019   0.00004   2.08242
   R24        2.31575   0.00145  -0.00018   0.00173   0.00155   2.31730
   R25        2.68901   0.00122   0.00261  -0.00026   0.00235   2.69135
   R26        2.79161   0.00410  -0.00023   0.00325   0.00302   2.79462
   R27        1.94862   0.00146   0.00334   0.00166   0.00500   1.95361
   R28        2.91461   0.00061   0.00025   0.00176   0.00201   2.91662
   R29        2.94073   0.00228   0.00043   0.00305   0.00349   2.94421
   R30        2.13458   0.00028  -0.00030   0.00056   0.00026   2.13484
   R31        2.31717   0.00059   0.00020   0.00054   0.00074   2.31791
   R32        2.62142   0.00041  -0.00020  -0.00038  -0.00058   2.62084
   R33        2.81547  -0.00135  -0.00072  -0.00162  -0.00234   2.81313
   R34        1.92315   0.00040   0.00048   0.00070   0.00118   1.92433
   R35        2.91782   0.00116  -0.00043   0.00195   0.00152   2.91934
   R36        2.92128  -0.00202  -0.00203  -0.00243  -0.00446   2.91682
   R37        2.13667  -0.00089  -0.00105  -0.00234  -0.00338   2.13328
   R38        2.84260  -0.00005  -0.00041  -0.00001  -0.00041   2.84218
   R39        2.10330  -0.00003  -0.00017  -0.00046  -0.00063   2.10267
   R40        2.09816   0.00007   0.00009   0.00052   0.00061   2.09877
   R41        2.65396  -0.00015  -0.00040  -0.00014  -0.00054   2.65341
   R42        2.65187   0.00000  -0.00036  -0.00013  -0.00049   2.65138
   R43        2.64014   0.00002  -0.00014   0.00002  -0.00012   2.64003
   R44        2.05947  -0.00008  -0.00016  -0.00020  -0.00037   2.05911
   R45        2.64299  -0.00016  -0.00016  -0.00001  -0.00017   2.64282
   R46        2.05882   0.00002  -0.00006   0.00006   0.00000   2.05883
   R47        2.64245  -0.00003  -0.00008  -0.00004  -0.00012   2.64233
   R48        2.05603   0.00003   0.00003   0.00010   0.00012   2.05615
   R49        2.64115  -0.00011  -0.00014   0.00001  -0.00013   2.64102
   R50        2.05848   0.00001   0.00002   0.00008   0.00010   2.05858
   R51        2.05567  -0.00006  -0.00001   0.00004   0.00002   2.05569
   R52        2.90014  -0.00304  -0.00138  -0.00419  -0.00556   2.89458
   R53        2.09911  -0.00014  -0.00003  -0.00055  -0.00058   2.09853
   R54        2.09142   0.00031  -0.00006  -0.00017  -0.00023   2.09119
   R55        2.72907  -0.00057  -0.00106  -0.00126  -0.00232   2.72675
   R56        2.94750  -0.00019   0.00235   0.00056   0.00291   2.95041
   R57        2.11424  -0.00029   0.00100   0.00171   0.00271   2.11694
   R58        1.89032  -0.00036   0.00097   0.00060   0.00156   1.89188
   R59        2.90511  -0.00119  -0.00103  -0.00199  -0.00302   2.90209
   R60        2.82295   0.00226   0.00332   0.00708   0.01040   2.83336
   R61        2.12670   0.00012  -0.00090  -0.00044  -0.00134   2.12536
   R62        2.84501  -0.00126  -0.00035  -0.00175  -0.00209   2.84291
   R63        2.11198  -0.00019  -0.00033   0.00026  -0.00007   2.11192
   R64        2.09755  -0.00003  -0.00009  -0.00116  -0.00125   2.09630
   R65        2.65216  -0.00064  -0.00019  -0.00051  -0.00070   2.65146
   R66        2.65200  -0.00023  -0.00020  -0.00007  -0.00028   2.65172
   R67        2.63940  -0.00018  -0.00033  -0.00004  -0.00036   2.63903
   R68        2.06522  -0.00032   0.00018  -0.00083  -0.00066   2.06457
   R69        2.64389   0.00005   0.00006  -0.00002   0.00003   2.64392
   R70        2.05717   0.00004  -0.00006   0.00004  -0.00002   2.05716
   R71        2.64234  -0.00002  -0.00022   0.00016  -0.00006   2.64229
   R72        2.05468   0.00005   0.00001   0.00010   0.00011   2.05479
   R73        2.64125   0.00002  -0.00007  -0.00011  -0.00018   2.64107
   R74        2.05655   0.00002  -0.00002   0.00011   0.00009   2.05664
   R75        2.05328   0.00002   0.00001   0.00010   0.00010   2.05339
   R76        2.63947   0.00440   0.00630   0.00985   0.01615   2.65562
   R77        1.95586   0.00125   0.00223   0.00332   0.00556   1.96141
   R78        2.29309  -0.00009   0.00006  -0.00038  -0.00032   2.29277
   R79        2.64016   0.00077  -0.00013   0.00021   0.00008   2.64025
   R80        2.75807  -0.00019  -0.00073   0.00014  -0.00059   2.75748
   R81        2.79438   0.00005  -0.00027  -0.00147  -0.00174   2.79264
   R82        2.09477  -0.00003  -0.00039  -0.00055  -0.00094   2.09383
   R83        2.09731  -0.00020   0.00027   0.00009   0.00035   2.09766
   R84        2.59359  -0.00058  -0.00029  -0.00090  -0.00118   2.59241
   R85        3.28370   0.00058  -0.00028   0.00034   0.00007   3.28377
   R86        2.66124   0.00070  -0.00070  -0.00019  -0.00089   2.66036
   R87        2.05172  -0.00009  -0.00019  -0.00034  -0.00054   2.05118
   R88        2.49141   0.00001   0.00109   0.00198   0.00306   2.49447
   R89        3.32536   0.00088  -0.00127  -0.00055  -0.00182   3.32354
   R90        2.04606   0.00088  -0.00010   0.00178   0.00168   2.04774
   R91        2.88428   0.00330   0.00215   0.00715   0.00929   2.89357
   R92        2.89320  -0.00050   0.00039  -0.00123  -0.00084   2.89236
   R93        2.12235  -0.00031  -0.00068  -0.00130  -0.00198   2.12038
   R94        2.07525   0.00050   0.00057   0.00246   0.00303   2.07829
   R95        2.08699  -0.00032  -0.00073  -0.00112  -0.00185   2.08514
   R96        2.07191   0.00001   0.00050  -0.00048   0.00002   2.07193
   R97        2.07437  -0.00006  -0.00016  -0.00045  -0.00062   2.07375
   R98        2.08009  -0.00027  -0.00035  -0.00175  -0.00210   2.07799
   R99        2.06865  -0.00007  -0.00002  -0.00011  -0.00013   2.06851
   R100       3.27749   0.00045   0.00002   0.00075   0.00076   3.27826
   R101       2.03919  -0.00007  -0.00004  -0.00062  -0.00066   2.03853
    A1        1.93535  -0.00005   0.00033  -0.00025   0.00008   1.93543
    A2        1.94449   0.00003  -0.00023   0.00025   0.00002   1.94451
    A3        1.96060   0.00006  -0.00030  -0.00001  -0.00031   1.96029
    A4        1.87341   0.00000  -0.00014  -0.00009  -0.00023   1.87317
    A5        1.87115  -0.00004   0.00057   0.00002   0.00059   1.87174
    A6        1.87468  -0.00001  -0.00021   0.00008  -0.00013   1.87456
    A7        1.95178  -0.00010   0.00012  -0.00019  -0.00007   1.95171
    A8        1.92516  -0.00008  -0.00022  -0.00047  -0.00069   1.92447
    A9        1.89031   0.00002  -0.00005  -0.00090  -0.00095   1.88935
   A10        1.92488   0.00027  -0.00012   0.00273   0.00262   1.92750
   A11        1.88985  -0.00006  -0.00001  -0.00073  -0.00074   1.88911
   A12        1.87974  -0.00005   0.00030  -0.00054  -0.00024   1.87949
   A13        1.96050   0.00017  -0.00049   0.00082   0.00033   1.96083
   A14        1.94471   0.00004   0.00000   0.00064   0.00064   1.94535
   A15        1.93478  -0.00003  -0.00019  -0.00047  -0.00065   1.93413
   A16        1.87541  -0.00007   0.00027  -0.00018   0.00009   1.87551
   A17        1.87037  -0.00010   0.00074  -0.00047   0.00027   1.87063
   A18        1.87393  -0.00002  -0.00030  -0.00042  -0.00072   1.87322
   A19        2.20774   0.00009   0.00031   0.00003   0.00033   2.20808
   A20        2.11881  -0.00006  -0.00004   0.00021   0.00017   2.11898
   A21        1.95662  -0.00003  -0.00026  -0.00022  -0.00050   1.95612
   A22        1.95964   0.00016   0.00019   0.00061   0.00080   1.96044
   A23        2.04222   0.00055   0.00067   0.00150   0.00217   2.04439
   A24        2.01276  -0.00028   0.00019  -0.00051  -0.00031   2.01245
   A25        2.22813  -0.00027  -0.00087  -0.00100  -0.00188   2.22626
   A26        1.99249  -0.00088   0.00051  -0.00359  -0.00307   1.98942
   A27        1.91156  -0.00007  -0.00074  -0.00073  -0.00148   1.91009
   A28        1.91490   0.00055   0.00055   0.00195   0.00251   1.91740
   A29        1.91723   0.00065  -0.00037   0.00099   0.00061   1.91784
   A30        1.87715   0.00010  -0.00114   0.00127   0.00013   1.87728
   A31        1.84446  -0.00030   0.00126   0.00046   0.00172   1.84618
   A32        1.98490   0.00093  -0.00241   0.00490   0.00245   1.98735
   A33        2.11612  -0.00068  -0.00227  -0.00037  -0.00267   2.11344
   A34        2.00929  -0.00028  -0.00249   0.00184  -0.00069   2.00860
   A35        1.89915  -0.00015  -0.00069  -0.00046  -0.00115   1.89800
   A36        1.92007   0.00007  -0.00025   0.00164   0.00139   1.92146
   A37        1.96743   0.00008   0.00085  -0.00049   0.00035   1.96778
   A38        1.88631   0.00008  -0.00040   0.00099   0.00059   1.88690
   A39        1.90081   0.00001  -0.00043  -0.00040  -0.00083   1.89999
   A40        1.88836  -0.00009   0.00088  -0.00122  -0.00035   1.88801
   A41        2.12529  -0.00003  -0.00056   0.00007  -0.00062   2.12467
   A42        2.05068  -0.00109   0.00219  -0.00066   0.00139   2.05207
   A43        2.10581   0.00118  -0.00144   0.00186   0.00030   2.10611
   A44        2.03120   0.00206  -0.00542   0.00256  -0.00288   2.02831
   A45        2.07236  -0.00121  -0.00125   0.00249   0.00121   2.07357
   A46        1.98136  -0.00048   0.00125   0.00539   0.00660   1.98796
   A47        1.90572  -0.00021   0.00338   0.00455   0.00794   1.91366
   A48        1.90067  -0.00075  -0.00091  -0.00275  -0.00367   1.89700
   A49        1.88901   0.00065  -0.00398  -0.00283  -0.00680   1.88221
   A50        1.94338   0.00110  -0.00061   0.00072   0.00011   1.94349
   A51        1.92431  -0.00070   0.00023  -0.00260  -0.00235   1.92196
   A52        1.89981  -0.00010   0.00176   0.00277   0.00451   1.90432
   A53        2.14168  -0.00104  -0.00076  -0.00085  -0.00162   2.14006
   A54        2.02593   0.00330   0.00211   0.00759   0.00969   2.03562
   A55        2.11538  -0.00225  -0.00146  -0.00656  -0.00803   2.10735
   A56        2.12225  -0.00528  -0.00026  -0.00714  -0.00744   2.11482
   A57        2.11936   0.00241   0.00055   0.00437   0.00487   2.12423
   A58        2.03505   0.00285   0.00000   0.00430   0.00426   2.03931
   A59        1.90849   0.00187  -0.00096   0.00423   0.00327   1.91176
   A60        1.93578  -0.00084   0.00108   0.00017   0.00124   1.93702
   A61        1.87909  -0.00127  -0.00121  -0.00554  -0.00675   1.87234
   A62        1.95882   0.00019  -0.00067  -0.00059  -0.00126   1.95756
   A63        1.88287   0.00010   0.00068   0.00161   0.00230   1.88517
   A64        1.89629  -0.00012   0.00106  -0.00013   0.00093   1.89721
   A65        1.99380   0.00071   0.00027   0.00305   0.00332   1.99712
   A66        1.89828  -0.00025  -0.00033  -0.00145  -0.00178   1.89651
   A67        1.89776  -0.00009   0.00042   0.00073   0.00115   1.89891
   A68        1.91949  -0.00021  -0.00055  -0.00084  -0.00138   1.91811
   A69        1.92218  -0.00028   0.00000  -0.00124  -0.00124   1.92094
   A70        1.82446   0.00006   0.00018  -0.00056  -0.00039   1.82407
   A71        2.09432  -0.00002  -0.00044  -0.00046  -0.00090   2.09342
   A72        2.10377   0.00003   0.00030   0.00041   0.00070   2.10448
   A73        2.08506  -0.00001   0.00014   0.00005   0.00019   2.08525
   A74        2.09717   0.00000  -0.00002  -0.00001  -0.00003   2.09714
   A75        2.09714   0.00003   0.00010   0.00020   0.00030   2.09745
   A76        2.08876  -0.00003  -0.00008  -0.00018  -0.00026   2.08850
   A77        2.09852   0.00002  -0.00002   0.00000  -0.00002   2.09849
   A78        2.09094  -0.00001   0.00002   0.00003   0.00005   2.09099
   A79        2.09372   0.00000   0.00000  -0.00003  -0.00003   2.09369
   A80        2.08974  -0.00001  -0.00004  -0.00003  -0.00008   2.08967
   A81        2.09638   0.00004   0.00006   0.00007   0.00013   2.09651
   A82        2.09705  -0.00002  -0.00001  -0.00004  -0.00005   2.09700
   A83        2.09922   0.00001  -0.00001   0.00000  -0.00001   2.09921
   A84        2.09288   0.00001  -0.00001   0.00010   0.00010   2.09298
   A85        2.09108  -0.00001   0.00002  -0.00010  -0.00009   2.09099
   A86        2.09660   0.00000  -0.00005  -0.00001  -0.00006   2.09654
   A87        2.09795   0.00001   0.00007   0.00014   0.00021   2.09816
   A88        2.08863  -0.00001  -0.00002  -0.00014  -0.00016   2.08847
   A89        1.95313  -0.00493   0.00172   0.00109   0.00280   1.95593
   A90        1.93174   0.00217  -0.00018  -0.00345  -0.00364   1.92811
   A91        1.90682   0.00085  -0.00095   0.00196   0.00099   1.90781
   A92        1.90426   0.00015  -0.00075  -0.00484  -0.00559   1.89867
   A93        1.92704   0.00272   0.00028   0.00357   0.00385   1.93089
   A94        1.83748  -0.00064  -0.00025   0.00172   0.00148   1.83896
   A95        1.89600  -0.00279   0.00068  -0.00843  -0.00774   1.88826
   A96        1.99297   0.00409   0.00209   0.00488   0.00696   1.99993
   A97        1.94188  -0.00075   0.00016   0.00120   0.00133   1.94321
   A98        1.79346   0.00027  -0.00083   0.00124   0.00043   1.79389
   A99        1.89962   0.00104  -0.00247  -0.00047  -0.00294   1.89668
   A100       1.93202  -0.00190   0.00005   0.00102   0.00105   1.93307
   A101       1.91044   0.00072  -0.00341   0.00326  -0.00016   1.91028
   A102       1.94604  -0.00018  -0.00003  -0.00213  -0.00216   1.94389
   A103       1.88281  -0.00106   0.00233   0.00305   0.00537   1.88819
   A104       1.91043   0.00093   0.00087   0.00087   0.00174   1.91217
   A105       1.97422  -0.00020   0.00186  -0.00579  -0.00393   1.97029
   A106       1.91298  -0.00011  -0.00237   0.00123  -0.00114   1.91184
   A107       1.83335   0.00072  -0.00275   0.00324   0.00047   1.83382
   A108       1.94869  -0.00047  -0.00044  -0.00071  -0.00116   1.94753
   A109       1.92877  -0.00032  -0.00004  -0.00415  -0.00419   1.92458
   A110       1.91010   0.00037  -0.00090   0.00241   0.00151   1.91161
   A111       1.92076   0.00004   0.00027  -0.00045  -0.00019   1.92057
   A112       1.92042   0.00042   0.00033   0.00297   0.00330   1.92372
   A113       1.83159   0.00001   0.00085   0.00005   0.00090   1.83249
   A114       2.09574  -0.00108   0.00020  -0.00164  -0.00144   2.09430
   A115       2.09846   0.00068  -0.00030   0.00105   0.00075   2.09922
   A116       2.08897   0.00040   0.00009   0.00059   0.00069   2.08966
   A117       2.09518  -0.00009  -0.00007  -0.00032  -0.00039   2.09478
   A118       2.08751  -0.00012  -0.00003   0.00035   0.00033   2.08783
   A119       2.10048   0.00021   0.00009  -0.00003   0.00006   2.10053
   A120       2.09819  -0.00003   0.00005   0.00003   0.00008   2.09827
   A121       2.09139  -0.00002  -0.00007  -0.00028  -0.00035   2.09104
   A122       2.09361   0.00005   0.00002   0.00025   0.00027   2.09388
   A123       2.09110   0.00001  -0.00001   0.00010   0.00009   2.09119
   A124       2.09569   0.00001   0.00002   0.00013   0.00015   2.09584
   A125       2.09639  -0.00001  -0.00001  -0.00023  -0.00024   2.09615
   A126       2.09870  -0.00007  -0.00007  -0.00012  -0.00018   2.09851
   A127       2.09317   0.00003   0.00001  -0.00014  -0.00012   2.09304
   A128       2.09132   0.00004   0.00006   0.00025   0.00031   2.09163
   A129       2.09423  -0.00021   0.00000  -0.00028  -0.00028   2.09395
   A130       2.09836   0.00015  -0.00001  -0.00004  -0.00005   2.09831
   A131       2.09059   0.00006   0.00001   0.00032   0.00033   2.09093
   A132       2.07611  -0.00428   0.00170   0.00039   0.00205   2.07815
   A133       1.94110   0.00173  -0.00289   0.01081   0.00787   1.94897
   A134       1.99779   0.00104  -0.00391   0.00566   0.00168   1.99947
   A135       2.26992  -0.00034  -0.00007  -0.00370  -0.00378   2.26614
   A136       1.88166   0.00119   0.00145   0.00838   0.00983   1.89148
   A137       2.12947  -0.00075  -0.00097  -0.00513  -0.00611   2.12336
   A138       2.02144  -0.00134  -0.00073  -0.01074  -0.01147   2.00997
   A139       1.88802  -0.00277  -0.00076  -0.00352  -0.00430   1.88372
   A140       1.77678   0.00115   0.00106   0.00619   0.00725   1.78403
   A141       1.90253   0.00056  -0.00070  -0.00531  -0.00603   1.89649
   A142       1.98057   0.00006   0.00096   0.00560   0.00656   1.98713
   A143       1.98112   0.00109   0.00046  -0.00377  -0.00334   1.97778
   A144       1.92200  -0.00015  -0.00104   0.00122   0.00019   1.92219
   A145       2.26052  -0.00021  -0.00007   0.00155   0.00144   2.26197
   A146       2.11060   0.00028  -0.00046  -0.00299  -0.00349   2.10711
   A147       1.90980  -0.00010   0.00015   0.00093   0.00104   1.91085
   A148       2.01365   0.00029   0.00010  -0.00014  -0.00004   2.01361
   A149       2.21102  -0.00013  -0.00048  -0.00065  -0.00113   2.20989
   A150       2.05851  -0.00016   0.00038   0.00079   0.00117   2.05968
   A151       1.94845   0.00003  -0.00047  -0.00045  -0.00094   1.94751
   A152       1.97426  -0.00028   0.00025   0.00027   0.00046   1.97472
   A153       2.18518   0.00002  -0.00037  -0.00087  -0.00127   2.18392
   A154       2.12374   0.00026   0.00016   0.00063   0.00076   2.12450
   A155       1.57853   0.00006  -0.00008  -0.00044  -0.00053   1.57800
   A156       1.95971   0.00076  -0.00136  -0.00005  -0.00144   1.95826
   A157       1.92264   0.00004   0.00176   0.00481   0.00656   1.92920
   A158       1.85769  -0.00037  -0.00130  -0.00402  -0.00530   1.85239
   A159       1.93672  -0.00021   0.00072   0.00319   0.00389   1.94061
   A160       1.88563  -0.00017   0.00177   0.00188   0.00366   1.88929
   A161       1.89845  -0.00009  -0.00172  -0.00646  -0.00817   1.89028
   A162       1.94752   0.00029  -0.00277  -0.00222  -0.00499   1.94252
   A163       1.95667   0.00147   0.00031   0.00327   0.00357   1.96024
   A164       1.94413  -0.00023  -0.00038   0.00291   0.00254   1.94667
   A165       1.86444  -0.00105  -0.00048  -0.00676  -0.00726   1.85718
   A166       1.86044   0.00029   0.00633   0.00530   0.01163   1.87207
   A167       1.88582  -0.00089  -0.00273  -0.00280  -0.00553   1.88028
   A168       1.93456  -0.00026  -0.00041  -0.00229  -0.00270   1.93187
   A169       1.96284  -0.00004   0.00063   0.00114   0.00176   1.96460
   A170       1.96085  -0.00004   0.00044   0.00037   0.00081   1.96166
   A171       1.85160   0.00005   0.00063  -0.00037   0.00026   1.85186
   A172       1.86332   0.00013  -0.00120  -0.00062  -0.00183   1.86150
   A173       1.88454   0.00019  -0.00016   0.00172   0.00156   1.88610
   A174       1.91485   0.00016  -0.00019   0.00035   0.00015   1.91499
   A175       2.23518   0.00013  -0.00117   0.00046  -0.00072   2.23446
   A176       2.13315  -0.00030   0.00136  -0.00080   0.00055   2.13370
   A177       1.58086  -0.00002   0.00010  -0.00019  -0.00010   1.58076
    D1        1.10824  -0.00015   0.00655   0.00065   0.00720   1.11543
    D2       -3.02602   0.00007   0.00632   0.00369   0.01001  -3.01601
    D3       -0.97285  -0.00003   0.00653   0.00224   0.00877  -0.96408
    D4       -3.08947  -0.00015   0.00643   0.00053   0.00697  -3.08250
    D5       -0.94054   0.00007   0.00621   0.00358   0.00979  -0.93076
    D6        1.11262  -0.00003   0.00641   0.00213   0.00854   1.12116
    D7       -0.98515  -0.00011   0.00579   0.00080   0.00660  -0.97855
    D8        1.16378   0.00012   0.00557   0.00385   0.00942   1.17320
    D9       -3.06624   0.00002   0.00578   0.00240   0.00817  -3.05807
   D10        1.01258  -0.00001   0.00399  -0.00542  -0.00143   1.01115
   D11        3.11794   0.00005   0.00401  -0.00463  -0.00062   3.11731
   D12       -1.07934   0.00003   0.00351  -0.00505  -0.00154  -1.08088
   D13       -1.13650  -0.00003   0.00427  -0.00665  -0.00238  -1.13888
   D14        0.96885   0.00002   0.00429  -0.00586  -0.00157   0.96728
   D15        3.05476   0.00000   0.00379  -0.00628  -0.00249   3.05227
   D16        3.09394  -0.00009   0.00399  -0.00712  -0.00313   3.09081
   D17       -1.08389  -0.00003   0.00400  -0.00633  -0.00232  -1.08621
   D18        1.00202  -0.00005   0.00350  -0.00674  -0.00324   0.99878
   D19        2.04531  -0.00005  -0.00208  -0.00547  -0.00756   2.03776
   D20       -1.10039   0.00003   0.00010  -0.00001   0.00009  -1.10029
   D21       -2.07334  -0.00004  -0.00216  -0.00414  -0.00631  -2.07965
   D22        1.06415   0.00004   0.00002   0.00132   0.00134   1.06549
   D23       -0.01437   0.00001  -0.00207  -0.00381  -0.00588  -0.02025
   D24        3.12312   0.00009   0.00011   0.00165   0.00177   3.12489
   D25       -3.13604  -0.00005   0.00117   0.00108   0.00226  -3.13378
   D26        0.00933  -0.00012  -0.00083  -0.00395  -0.00479   0.00455
   D27        3.13652   0.00004  -0.00027  -0.00074  -0.00101   3.13551
   D28       -0.00863   0.00011   0.00162   0.00400   0.00562  -0.00301
   D29        3.12441   0.00006  -0.00169   0.00164  -0.00005   3.12436
   D30       -0.00543   0.00008  -0.00071   0.00182   0.00111  -0.00432
   D31        2.16663  -0.00016   0.00648  -0.03482  -0.02835   2.13828
   D32       -1.95869   0.00000   0.00579  -0.03669  -0.03090  -1.98959
   D33        0.05846  -0.00009   0.00719  -0.03545  -0.02826   0.03021
   D34       -0.98838  -0.00018   0.00537  -0.03502  -0.02965  -1.01803
   D35        1.16948  -0.00002   0.00468  -0.03688  -0.03220   1.13728
   D36       -3.09655  -0.00011   0.00609  -0.03564  -0.02956  -3.12611
   D37       -0.00126   0.00000   0.00192   0.00126   0.00318   0.00191
   D38        3.13649   0.00002  -0.00384   0.00184  -0.00200   3.13449
   D39       -3.12963   0.00002   0.00300   0.00144   0.00444  -3.12519
   D40        0.00813   0.00004  -0.00275   0.00202  -0.00073   0.00739
   D41       -1.19860  -0.00020   0.01417  -0.01156   0.00260  -1.19600
   D42        1.31481  -0.00031   0.00154  -0.00051   0.00104   1.31584
   D43        2.92977   0.00003   0.01506  -0.00875   0.00630   2.93608
   D44       -0.84000  -0.00007   0.00243   0.00230   0.00474  -0.83526
   D45        0.93043   0.00000   0.01438  -0.01049   0.00389   0.93432
   D46       -2.83934  -0.00010   0.00175   0.00057   0.00232  -2.83702
   D47       -1.16117  -0.00010  -0.00783   0.00218  -0.00565  -1.16682
   D48        3.05857  -0.00015  -0.00679   0.00030  -0.00649   3.05209
   D49        0.94930  -0.00014  -0.00830   0.00104  -0.00726   0.94204
   D50        2.56871   0.00018   0.00391  -0.00725  -0.00334   2.56537
   D51        0.50527   0.00012   0.00495  -0.00913  -0.00418   0.50109
   D52       -1.60401   0.00014   0.00344  -0.00839  -0.00496  -1.60896
   D53       -2.81395   0.00054   0.01998   0.02878   0.04876  -2.76520
   D54        0.38435  -0.00079   0.01645   0.00321   0.01966   0.40401
   D55       -0.30865   0.00084   0.00722   0.04098   0.04820  -0.26045
   D56        2.88965  -0.00050   0.00368   0.01541   0.01910   2.90876
   D57        2.83069   0.00092   0.01419   0.03138   0.04559   2.87627
   D58        0.36517   0.00052   0.02192   0.01384   0.03576   0.40093
   D59       -0.25486  -0.00036   0.01067   0.00618   0.01685  -0.23801
   D60       -2.72038  -0.00076   0.01839  -0.01137   0.00702  -2.71336
   D61       -1.59778   0.00062   0.02178   0.03729   0.05908  -1.53870
   D62        2.56005  -0.00013   0.02102   0.03530   0.05632   2.61638
   D63        0.49730   0.00004   0.02168   0.03512   0.05679   0.55408
   D64        0.90232   0.00065   0.01369   0.05290   0.06659   0.96891
   D65       -1.22303  -0.00010   0.01292   0.05091   0.06384  -1.15919
   D66        2.99739   0.00007   0.01359   0.05073   0.06430   3.06170
   D67       -0.59435   0.00068  -0.01143   0.01750   0.00606  -0.58828
   D68        2.56833  -0.00004  -0.00389   0.00815   0.00425   2.57258
   D69        1.50498   0.00030  -0.01074   0.01751   0.00678   1.51176
   D70       -1.61552  -0.00043  -0.00320   0.00817   0.00497  -1.61055
   D71       -2.66756   0.00043  -0.00877   0.01973   0.01095  -2.65661
   D72        0.49511  -0.00029  -0.00124   0.01038   0.00914   0.50426
   D73        1.08371  -0.00061   0.00339   0.00019   0.00359   1.08729
   D74       -3.03144  -0.00030   0.00465   0.00787   0.01253  -3.01891
   D75       -0.97616  -0.00059   0.00279   0.00043   0.00323  -0.97294
   D76       -1.01860  -0.00054   0.00017  -0.00412  -0.00395  -1.02255
   D77        1.14944  -0.00023   0.00143   0.00356   0.00500   1.15443
   D78       -3.07847  -0.00052  -0.00043  -0.00388  -0.00431  -3.08278
   D79        3.13965  -0.00031  -0.00090  -0.00319  -0.00410   3.13555
   D80       -0.97550   0.00000   0.00036   0.00449   0.00485  -0.97065
   D81        1.07978  -0.00029  -0.00150  -0.00295  -0.00446   1.07532
   D82        3.10663   0.00062  -0.01045  -0.00309  -0.01353   3.09310
   D83        0.09176   0.00069  -0.01321  -0.01820  -0.03142   0.06034
   D84       -0.01422  -0.00010  -0.00304  -0.01235  -0.01538  -0.02961
   D85       -3.02909  -0.00003  -0.00580  -0.02747  -0.03327  -3.06236
   D86        2.57534   0.00006   0.00779   0.00960   0.01738   2.59272
   D87       -1.53848   0.00104   0.00700   0.01194   0.01894  -1.51954
   D88        0.53404  -0.00036   0.00817   0.00849   0.01667   0.55070
   D89       -0.68716  -0.00001   0.01047   0.02407   0.03453  -0.65262
   D90        1.48221   0.00098   0.00968   0.02641   0.03609   1.51830
   D91       -2.72846  -0.00043   0.01085   0.02297   0.03382  -2.69464
   D92        1.05922   0.00027  -0.00109  -0.00767  -0.00876   1.05046
   D93       -1.09234   0.00024  -0.00032  -0.00762  -0.00794  -1.10028
   D94       -3.06929   0.00034  -0.00057  -0.00659  -0.00716  -3.07645
   D95       -1.09659  -0.00013  -0.00132  -0.01054  -0.01186  -1.10844
   D96        3.03503  -0.00017  -0.00055  -0.01048  -0.01103   3.02400
   D97        1.05808  -0.00006  -0.00080  -0.00945  -0.01025   1.04783
   D98        3.09813  -0.00017  -0.00267  -0.01108  -0.01375   3.08438
   D99        0.94656  -0.00020  -0.00190  -0.01103  -0.01292   0.93364
   D100      -1.03038  -0.00010  -0.00215  -0.01000  -0.01214  -1.04253
   D101       1.29101  -0.00308   0.00750  -0.02064  -0.01314   1.27787
   D102      -0.83706  -0.00139   0.00739  -0.01274  -0.00535  -0.84241
   D103      -2.85259  -0.00235   0.00835  -0.01401  -0.00566  -2.85825
   D104      -2.85173  -0.00113   0.00657  -0.01546  -0.00889  -2.86062
   D105       1.30339   0.00056   0.00646  -0.00756  -0.00110   1.30229
   D106      -0.71214  -0.00040   0.00742  -0.00883  -0.00141  -0.71355
   D107      -0.77110  -0.00097   0.00769  -0.01390  -0.00620  -0.77730
   D108      -2.89917   0.00072   0.00759  -0.00599   0.00159  -2.89758
   D109       1.36849  -0.00023   0.00855  -0.00726   0.00128   1.36977
   D110      -1.64977  -0.00001  -0.00368  -0.01034  -0.01402  -1.66379
   D111       1.49994   0.00003  -0.00366  -0.00919  -0.01285   1.48709
   D112       0.49029   0.00001  -0.00434  -0.01068  -0.01502   0.47527
   D113      -2.64319   0.00005  -0.00432  -0.00954  -0.01386  -2.65704
   D114       2.49197  -0.00019  -0.00443  -0.01255  -0.01698   2.47499
   D115      -0.64150  -0.00016  -0.00441  -0.01140  -0.01582  -0.65731
   D116       3.13930   0.00001   0.00002   0.00055   0.00057   3.13986
   D117      -0.01894   0.00003   0.00014   0.00163   0.00177  -0.01717
   D118      -0.01033  -0.00002   0.00000  -0.00058  -0.00058  -0.01091
   D119       3.11462   0.00000   0.00013   0.00050   0.00062   3.11524
   D120      -3.13873  -0.00002  -0.00007  -0.00074  -0.00081  -3.13955
   D121       0.00834  -0.00001   0.00013  -0.00037  -0.00024   0.00809
   D122       0.01094   0.00002  -0.00005   0.00040   0.00035   0.01129
   D123      -3.12518   0.00003   0.00015   0.00077   0.00092  -3.12426
   D124       0.00193   0.00001   0.00008   0.00043   0.00051   0.00244
   D125       3.13861   0.00002   0.00019   0.00078   0.00098   3.13959
   D126      -3.12309  -0.00001  -0.00005  -0.00065  -0.00070  -3.12379
   D127       0.01359   0.00000   0.00007  -0.00030  -0.00023   0.01336
   D128       0.00591   0.00000  -0.00011  -0.00009  -0.00020   0.00571
   D129      -3.14143   0.00000   0.00012   0.00020   0.00032  -3.14112
   D130      -3.13077  -0.00001  -0.00022  -0.00044  -0.00067  -3.13143
   D131       0.00508  -0.00001   0.00000  -0.00016  -0.00016   0.00492
   D132      -0.00529  -0.00001   0.00006  -0.00009  -0.00004  -0.00533
   D133       3.13384   0.00000   0.00018  -0.00009   0.00009   3.13393
   D134      -3.14114  -0.00001  -0.00017  -0.00038  -0.00055   3.14150
   D135      -0.00200  -0.00001  -0.00005  -0.00037  -0.00042  -0.00243
   D136      -0.00316   0.00000   0.00003  -0.00007  -0.00004  -0.00320
   D137       3.13298  -0.00001  -0.00018  -0.00043  -0.00061   3.13237
   D138       3.14089   0.00000  -0.00009  -0.00007  -0.00017   3.14072
   D139      -0.00615  -0.00001  -0.00030  -0.00044  -0.00073  -0.00689
   D140      -1.72347   0.00001  -0.01490  -0.01117  -0.02608  -1.74955
   D141       2.56983  -0.00086  -0.01551  -0.01007  -0.02556   2.54426
   D142       0.36732  -0.00095  -0.01741  -0.01642  -0.03383   0.33349
   D143       0.42028  -0.00043  -0.01450  -0.01822  -0.03273   0.38755
   D144      -1.56960  -0.00130  -0.01511  -0.01712  -0.03222  -1.60182
   D145       2.51108  -0.00140  -0.01701  -0.02347  -0.04049   2.47059
   D146       2.43168   0.00040  -0.01507  -0.01694  -0.03203   2.39965
   D147       0.44179  -0.00047  -0.01568  -0.01584  -0.03151   0.41028
   D148      -1.76071  -0.00056  -0.01758  -0.02219  -0.03978  -1.80050
   D149       1.73139  -0.00182  -0.03518  -0.00363  -0.03880   1.69258
   D150      -2.43451   0.00175  -0.03288  -0.00129  -0.03417  -2.46868
   D151      -0.38556   0.00015  -0.03431   0.00029  -0.03403  -0.41959
   D152      -1.16208  -0.00113  -0.01573   0.02076   0.00503  -1.15705
   D153       2.94333   0.00000  -0.01970   0.02736   0.00766   2.95099
   D154       0.95752  -0.00076  -0.01814   0.02150   0.00336   0.96088
   D155       3.07139   0.00005  -0.01706   0.02772   0.01065   3.08204
   D156       0.89361   0.00118  -0.02103   0.03431   0.01329   0.90690
   D157      -1.09220   0.00042  -0.01947   0.02846   0.00899  -1.08321
   D158       1.04556  -0.00046  -0.01379   0.02716   0.01337   1.05893
   D159      -1.13221   0.00067  -0.01776   0.03375   0.01600  -1.11621
   D160      -3.11802  -0.00009  -0.01620   0.02790   0.01170  -3.10632
   D161       2.92270   0.00131  -0.00122   0.01106   0.00984   2.93254
   D162      -1.21644   0.00080  -0.00121   0.00702   0.00581  -1.21063
   D163       0.79218   0.00084  -0.00072   0.00612   0.00540   0.79758
   D164      -1.23478  -0.00036   0.00316   0.00925   0.01240  -1.22237
   D165       0.90927  -0.00087   0.00317   0.00520   0.00837   0.91764
   D166       2.91789  -0.00083   0.00365   0.00431   0.00796   2.92586
   D167       0.80458   0.00034  -0.00069   0.01053   0.00984   0.81442
   D168       2.94862  -0.00017  -0.00068   0.00649   0.00581   2.95443
   D169      -1.32594  -0.00013  -0.00020   0.00560   0.00540  -1.32054
   D170       1.21994  -0.00225  -0.01573  -0.01342  -0.02913   1.19080
   D171      -1.15822  -0.00114  -0.00784  -0.03603  -0.04388  -1.20210
   D172      -0.94089  -0.00111  -0.01863  -0.00902  -0.02763  -0.96852
   D173       2.96414   0.00000  -0.01074  -0.03163  -0.04238   2.92175
   D174      -3.02664  -0.00132  -0.01500  -0.00941  -0.02440  -3.05103
   D175       0.87839  -0.00021  -0.00711  -0.03202  -0.03914   0.83925
   D176       1.67362  -0.00050  -0.00550  -0.00699  -0.01250   1.66112
   D177      -1.47271  -0.00043  -0.00568  -0.00608  -0.01176  -1.48447
   D178      -0.47498   0.00021  -0.00534  -0.00086  -0.00620  -0.48118
   D179       2.66188   0.00028  -0.00552   0.00005  -0.00547   2.65641
   D180      -2.48500  -0.00006  -0.00671  -0.00237  -0.00908  -2.49408
   D181       0.65186   0.00000  -0.00689  -0.00145  -0.00835   0.64351
   D182       3.13399   0.00004   0.00008   0.00045   0.00053   3.13451
   D183      -0.01554  -0.00002  -0.00038   0.00007  -0.00031  -0.01585
   D184      -0.00290  -0.00003   0.00026  -0.00046  -0.00021  -0.00310
   D185       3.13077  -0.00008  -0.00020  -0.00084  -0.00104   3.12973
   D186      -3.13395  -0.00002   0.00009  -0.00034  -0.00026  -3.13420
   D187       0.00921  -0.00005   0.00018  -0.00101  -0.00083   0.00838
   D188       0.00293   0.00004  -0.00009   0.00056   0.00047   0.00340
   D189      -3.13710   0.00001   0.00000  -0.00010  -0.00011  -3.13720
   D190       0.00048   0.00000  -0.00031   0.00002  -0.00028   0.00020
   D191       3.14089  -0.00002  -0.00043  -0.00002  -0.00045   3.14044
   D192      -3.13312   0.00005   0.00016   0.00040   0.00056  -3.13257
   D193       0.00729   0.00004   0.00003   0.00036   0.00039   0.00768
   D194       0.00191   0.00002   0.00019   0.00032   0.00050   0.00241
   D195      -3.14058  -0.00001  -0.00005   0.00020   0.00014  -3.14044
   D196      -3.13850   0.00004   0.00031   0.00036   0.00067  -3.13783
   D197       0.00220   0.00001   0.00007   0.00024   0.00031   0.00250
   D198      -0.00188  -0.00001  -0.00002  -0.00022  -0.00024  -0.00211
   D199       3.13930  -0.00001  -0.00015  -0.00011  -0.00026   3.13904
   D200       3.14062   0.00002   0.00022  -0.00010   0.00013   3.14074
   D201      -0.00140   0.00002   0.00009   0.00001   0.00010  -0.00129
   D202      -0.00055  -0.00002  -0.00003  -0.00022  -0.00025  -0.00080
   D203       3.13948   0.00001  -0.00011   0.00044   0.00032   3.13981
   D204       3.14147  -0.00002   0.00010  -0.00033  -0.00023   3.14124
   D205      -0.00169   0.00001   0.00002   0.00033   0.00035  -0.00134
   D206       0.68932  -0.00022   0.00136  -0.00527  -0.00391   0.68541
   D207      -2.52275   0.00146   0.00777  -0.01289  -0.00512  -2.52787
   D208       3.04408  -0.00119  -0.00626   0.02005   0.01379   3.05787
   D209      -0.16799   0.00050   0.00015   0.01243   0.01258  -0.15541
   D210       3.06360  -0.00393  -0.00889  -0.01328  -0.02217   3.04143
   D211      -0.14160  -0.00240  -0.00307  -0.02015  -0.02322  -0.16482
   D212      -1.40944  -0.00034   0.00177   0.05501   0.05677  -1.35268
   D213       2.78283   0.00021   0.00048   0.04707   0.04755   2.83038
   D214       0.75231  -0.00041   0.00142   0.04482   0.04626   0.79857
   D215      -1.33295  -0.00055  -0.04338  -0.10485  -0.14823  -1.48117
   D216       1.72835  -0.00101  -0.05045  -0.11392  -0.16435   1.56400
   D217       0.62474  -0.00079  -0.04204  -0.09649  -0.13854   0.48620
   D218      -2.59714  -0.00125  -0.04911  -0.10556  -0.15466  -2.75181
   D219       2.83653   0.00000  -0.04226  -0.09320  -0.13548   2.70104
   D220      -0.38536  -0.00046  -0.04932  -0.10228  -0.15161  -0.53697
   D221       3.07979  -0.00045  -0.00301  -0.01353  -0.01656   3.06324
   D222      -0.06078  -0.00037  -0.00444  -0.01651  -0.02096  -0.08174
   D223       0.01122  -0.00005   0.00343  -0.00513  -0.00169   0.00954
   D224      -3.12935   0.00003   0.00201  -0.00811  -0.00609  -3.13544
   D225      -3.08665   0.00046   0.00092   0.02013   0.02103  -3.06562
   D226      -0.01071   0.00008  -0.00486   0.01278   0.00792  -0.00279
   D227      -0.00510  -0.00002   0.00071  -0.00899  -0.00828  -0.01338
   D228       3.13557  -0.00010   0.00201  -0.00628  -0.00427   3.13129
   D229      -0.00360   0.00008  -0.00456   0.01889   0.01433   0.01073
   D230      -3.14129   0.00071   0.00779   0.01276   0.02055  -3.12074
   D231       0.00843  -0.00010   0.00556  -0.01873  -0.01316  -0.00473
   D232      -3.13691  -0.00070  -0.00629  -0.01285  -0.01915   3.12713
   D233      -1.12920   0.00034  -0.00137   0.02522   0.02384  -1.10536
   D234       0.96137   0.00022  -0.00371   0.01727   0.01356   0.97493
   D235       3.07701  -0.00006  -0.00728   0.01804   0.01075   3.08777
   D236       2.99378  -0.00012  -0.00321   0.01659   0.01338   3.00716
   D237      -1.19884  -0.00024  -0.00555   0.00864   0.00310  -1.19574
   D238       0.91681  -0.00052  -0.00912   0.00941   0.00030   0.91710
   D239       0.91405   0.00022  -0.00263   0.02144   0.01881   0.93286
   D240       3.00462   0.00009  -0.00497   0.01349   0.00853   3.01314
   D241      -1.16292  -0.00019  -0.00854   0.01427   0.00572  -1.15720
   D242       3.00023  -0.00046  -0.00471  -0.00848  -0.01320   2.98703
   D243      -1.21346  -0.00060  -0.00378  -0.00974  -0.01354  -1.22700
   D244       0.91718  -0.00042  -0.00320  -0.00636  -0.00957   0.90761
   D245      -1.10170   0.00040  -0.00468  -0.00278  -0.00744  -1.10915
   D246       0.96779   0.00026  -0.00375  -0.00405  -0.00778   0.96001
   D247       3.09843   0.00044  -0.00316  -0.00067  -0.00381   3.09462
   D248       0.97030   0.00001  -0.00314  -0.00260  -0.00574   0.96456
   D249       3.03980  -0.00013  -0.00222  -0.00387  -0.00609   3.03371
   D250      -1.11274   0.00005  -0.00163  -0.00048  -0.00212  -1.11486
   D251       0.00529  -0.00006  -0.00193  -0.00283  -0.00476   0.00053
   D252      -3.13273  -0.00008   0.00342  -0.00337   0.00006  -3.13267
         Item               Value     Threshold  Converged?
 Maximum Force            0.005281     0.000450     NO 
 RMS     Force            0.000855     0.000300     NO 
 Maximum Displacement     0.885467     0.001800     NO 
 RMS     Displacement     0.128822     0.001200     NO 
 Predicted change in Energy=-1.212185D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.486648   -2.201752    1.356539
      2          6           0       -9.243390   -1.278231    0.159306
      3          6           0      -10.222066   -0.099468    0.141083
      4          6           0       -7.830430   -0.784402    0.164186
      5          7           0       -6.917738   -1.020744   -0.748157
      6          6           0       -5.674419   -0.412497   -0.436879
      7          6           0       -4.542104   -0.633603   -1.401522
      8          7           0       -3.963110    0.618612   -1.949664
      9          6           0       -4.878645    1.355894   -2.864932
     10          6           0       -3.108838    1.438426   -1.162732
     11          8           0       -2.935304    2.624458   -1.421457
     12          7           0       -2.426763    0.825152   -0.073226
     13          6           0       -1.299509    1.588336    0.504573
     14          6           0        0.000359    1.249073   -0.255267
     15          8           0        0.222324    0.136585   -0.721760
     16          7           0        0.935980    2.266192   -0.371623
     17          6           0        2.250244    2.032456   -1.030510
     18          6           0        2.722441    3.333230   -1.717224
     19          6           0        2.906436    4.497969   -0.783627
     20          6           0        1.870385    5.430285   -0.613472
     21          6           0        2.035734    6.512694    0.254155
     22          6           0        3.234355    6.675981    0.955938
     23          6           0        4.271366    5.754496    0.780977
     24          6           0        4.111551    4.670094   -0.086044
     25          6           0        3.287609    1.497701   -0.020387
     26          6           0        3.019641    0.038803    0.361777
     27          8           0        2.353413    0.023519    1.641609
     28          6           0        4.303114   -0.808668    0.630319
     29          6           0        5.131041   -0.991771   -0.650091
     30          6           0        6.496182   -1.548970   -0.351504
     31          6           0        6.724175   -2.930693   -0.438244
     32          6           0        7.993317   -3.447685   -0.169442
     33          6           0        9.041267   -2.592030    0.187126
     34          6           0        8.814702   -1.215199    0.277001
     35          6           0        7.546763   -0.691672    0.009578
     36          7           0        3.884153   -2.110457    1.245028
     37          6           0        3.169449   -3.035276    0.464798
     38          8           0        3.308076   -3.339572   -0.701496
     39          8           0        2.248494   -3.687619    1.288412
     40          6           0        1.332944   -4.592123    0.600740
     41          6           0        0.291495   -3.773669   -0.054558
     42          6           0       -0.876888   -3.270405    0.458825
     43          7           0       -1.609183   -2.439584   -0.410303
     44          6           0       -0.999503   -2.294741   -1.572092
     45         16           0        0.511418   -3.188876   -1.676050
     46          6           0       -1.180930    1.235267    2.017411
     47          6           0       -0.868949   -0.246769    2.242914
     48          6           0       -0.141179    2.129187    2.697463
     49          6           0       -5.648504    0.300121    0.728196
     50         16           0       -7.204936    0.231291    1.491242
     51          1           0      -10.476221   -2.669668    1.294657
     52          1           0       -8.744683   -3.010081    1.396505
     53          1           0       -9.439689   -1.666116    2.311646
     54          1           0       -9.393905   -1.876406   -0.784363
     55          1           0      -10.168072    0.501263    1.056388
     56          1           0      -10.026789    0.571425   -0.705027
     57          1           0      -11.255607   -0.452597    0.046018
     58          1           0       -3.741523   -1.237369   -0.904150
     59          1           0       -4.895130   -1.250565   -2.268061
     60          1           0       -5.030748    0.753144   -3.774797
     61          1           0       -4.423023    2.320395   -3.163052
     62          1           0       -5.859450    1.565595   -2.408437
     63          1           0       -2.273980   -0.197109   -0.093123
     64          1           0       -1.535714    2.688005    0.398854
     65          1           0        0.797059    3.174102    0.068097
     66          1           0        2.089880    1.253252   -1.831451
     67          1           0        1.994240    3.599025   -2.515436
     68          1           0        3.668745    3.127678   -2.261036
     69          1           0        0.938905    5.321272   -1.168234
     70          1           0        1.228772    7.233697    0.380417
     71          1           0        3.360978    7.519440    1.631541
     72          1           0        5.208941    5.882688    1.320616
     73          1           0        4.927999    3.964038   -0.221186
     74          1           0        3.285266    2.115348    0.902492
     75          1           0        4.303297    1.609235   -0.445268
     76          1           0        2.361262   -0.465510   -0.391310
     77          1           0        1.365169   -0.055165    1.502100
     78          1           0        4.930649   -0.303299    1.415009
     79          1           0        4.593157   -1.659628   -1.366770
     80          1           0        5.220515   -0.019174   -1.176047
     81          1           0        5.902261   -3.597730   -0.708651
     82          1           0        8.166039   -4.520386   -0.236743
     83          1           0       10.028813   -2.996897    0.394890
     84          1           0        9.628046   -0.548278    0.556545
     85          1           0        7.378162    0.379249    0.083176
     86          1           0        3.513686   -1.979008    2.205643
     87          1           0        0.953399   -5.218396    1.432253
     88          1           0        1.915514   -5.213865   -0.110759
     89          1           0       -1.280079   -3.452716    1.449975
     90          1           0       -1.360086   -1.687682   -2.394091
     91          1           0       -2.184335    1.455710    2.468621
     92          1           0       -1.683584   -0.887071    1.874266
     93          1           0        0.044089   -0.568011    1.713132
     94          1           0       -0.734192   -0.472266    3.307397
     95          1           0       -0.166201    1.993832    3.786178
     96          1           0        0.886486    1.894432    2.384454
     97          1           0       -0.318707    3.192804    2.509380
     98          1           0       -4.818096    0.835221    1.161528
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0788772      0.0286617      0.0229646
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3639.4550240296 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.253077102845     A.U. after   19 cycles
             Convg  =    0.8769D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000312125    0.000160249    0.000182746
      2        6           0.000171489   -0.000450462   -0.000369041
      3        6          -0.000362549    0.000247653   -0.000014359
      4        6          -0.000218760    0.000356612   -0.000032731
      5        7           0.000807855    0.000322776    0.000182630
      6        6          -0.000585889   -0.000714159   -0.000545571
      7        6           0.000532415   -0.000269326   -0.000129983
      8        7          -0.000105263    0.000427766   -0.000219220
      9        6          -0.000340383   -0.000238929    0.000001522
     10        6           0.000371182    0.000236187    0.000603169
     11        8          -0.000013629   -0.000192758   -0.000498407
     12        7           0.001823816    0.001212334   -0.001402896
     13        6          -0.000884740   -0.000649127   -0.000268698
     14        6           0.000750612   -0.002223654    0.000306735
     15        8          -0.000522454    0.001992261   -0.000366052
     16        7           0.001213730   -0.000182042    0.000360588
     17        6          -0.000566690    0.000209162   -0.000282367
     18        6          -0.000104416   -0.000346800   -0.000303724
     19        6           0.000007462    0.000233649   -0.000013517
     20        6           0.000133225    0.000081736   -0.000052703
     21        6          -0.000047223   -0.000191961    0.000033438
     22        6           0.000143557    0.000033754   -0.000028517
     23        6          -0.000065555    0.000005727    0.000018904
     24        6          -0.000197514   -0.000179023    0.000070678
     25        6          -0.000669631   -0.000058330   -0.000198546
     26        6          -0.001031130    0.001636207    0.000378075
     27        8           0.000300470   -0.000975045   -0.000330688
     28        6           0.001686609    0.000805730    0.001255397
     29        6          -0.000094927    0.000704804    0.000303455
     30        6           0.000015534   -0.000014418   -0.000146590
     31        6           0.000358339    0.000416557    0.000089808
     32        6          -0.000080092   -0.000068052    0.000002237
     33        6           0.000017270    0.000004234   -0.000009160
     34        6          -0.000140817   -0.000008244    0.000069974
     35        6           0.000184657    0.000023792   -0.000019447
     36        7           0.000206658    0.003005330   -0.000168321
     37        6           0.000385520   -0.005116631   -0.000636572
     38        8           0.000204215   -0.000015973   -0.001087689
     39        8          -0.001654276   -0.001245378    0.000702685
     40        6           0.000013572    0.001700711   -0.001050081
     41        6           0.001503468   -0.000270470    0.001476246
     42        6          -0.000916368    0.000867518    0.001065652
     43        7          -0.000705887    0.000562973   -0.000293862
     44        6           0.000184073    0.001347135    0.000467732
     45       16          -0.001682972   -0.001522139   -0.000621265
     46        6          -0.000788369   -0.000477496    0.000252183
     47        6           0.002499945   -0.000770407   -0.000086413
     48        6          -0.000058051    0.000640580   -0.000195110
     49        6          -0.000780987    0.000542212    0.000206839
     50       16           0.000448121   -0.000268886    0.000073125
     51        1           0.000070234   -0.000085822   -0.000013859
     52        1           0.000190290    0.000011770   -0.000062316
     53        1           0.000077712   -0.000113660    0.000129540
     54        1          -0.000073836    0.000139069   -0.000077143
     55        1           0.000108580   -0.000088727    0.000042293
     56        1          -0.000062632   -0.000033161    0.000073617
     57        1           0.000080618    0.000007721    0.000063597
     58        1          -0.000354191    0.000432042    0.000413724
     59        1          -0.000281383   -0.000073901    0.000160638
     60        1          -0.000048422    0.000072311    0.000159346
     61        1           0.000099567   -0.000020397    0.000201900
     62        1          -0.000059327   -0.000104916    0.000020871
     63        1           0.000588760   -0.000239777   -0.000170093
     64        1          -0.000475852   -0.000449752    0.000119470
     65        1           0.000081380    0.000162503    0.000417321
     66        1          -0.000278160    0.000271759   -0.000106530
     67        1           0.000071020    0.000166455   -0.000149358
     68        1           0.000095920    0.000044882    0.000014569
     69        1           0.000021183   -0.000005209    0.000014368
     70        1           0.000022500   -0.000001878   -0.000008613
     71        1          -0.000020595   -0.000013404   -0.000000361
     72        1           0.000003098    0.000006727   -0.000001326
     73        1           0.000032474   -0.000002197    0.000002529
     74        1           0.000146536   -0.000498739    0.000238544
     75        1          -0.000334547   -0.000137372   -0.000013433
     76        1          -0.000490714   -0.000449614    0.000164181
     77        1          -0.001021545   -0.000539069    0.000574903
     78        1           0.000553840   -0.000241017    0.000078047
     79        1           0.000041338    0.000077743    0.000232232
     80        1           0.000015127    0.000061476   -0.000228430
     81        1           0.000015263   -0.000258445   -0.000037315
     82        1          -0.000043474    0.000035359    0.000033931
     83        1          -0.000020738    0.000009059    0.000019111
     84        1           0.000014596    0.000005040   -0.000016475
     85        1          -0.000053324   -0.000019655   -0.000007187
     86        1          -0.000544600    0.000693248   -0.001511295
     87        1           0.000324376   -0.001036224   -0.000228169
     88        1           0.000177011    0.000750459    0.000685152
     89        1           0.000189464    0.000119518   -0.000044477
     90        1           0.000393011   -0.000630171   -0.000927334
     91        1           0.000185428    0.000067469    0.000416849
     92        1          -0.000392547   -0.000254361    0.000452707
     93        1          -0.000021445    0.000801112    0.000619418
     94        1          -0.000037363   -0.000068464   -0.000470388
     95        1          -0.000018378   -0.000023128    0.000322378
     96        1          -0.000200871    0.000106268   -0.000065714
     97        1          -0.000022893    0.000189275   -0.000175606
     98        1           0.000224414   -0.000170147   -0.000088100
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005116631 RMS     0.000644147

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.011208117 RMS     0.001433096
 Search for a local minimum.
 Step number  48 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   43   47   48
 DE= -1.24D-03 DEPred=-1.21D-03 R= 1.02D+00
 SS=  1.41D+00  RLast= 4.71D-01 DXNew= 6.2600D-01 1.4127D+00
 Trust test= 1.02D+00 RLast= 4.71D-01 DXMaxT set to 6.26D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00080   0.00147   0.00197   0.00246   0.00311
     Eigenvalues ---    0.00369   0.00432   0.00487   0.00568   0.00615
     Eigenvalues ---    0.00729   0.00754   0.00870   0.00934   0.00945
     Eigenvalues ---    0.00979   0.01070   0.01163   0.01179   0.01228
     Eigenvalues ---    0.01272   0.01328   0.01399   0.01431   0.01452
     Eigenvalues ---    0.01464   0.01498   0.01593   0.01614   0.01746
     Eigenvalues ---    0.01756   0.01893   0.01927   0.02019   0.02094
     Eigenvalues ---    0.02194   0.02201   0.02203   0.02220   0.02257
     Eigenvalues ---    0.02268   0.02290   0.02322   0.02347   0.02372
     Eigenvalues ---    0.02404   0.02408   0.02415   0.02447   0.02474
     Eigenvalues ---    0.02482   0.02485   0.02527   0.02528   0.02654
     Eigenvalues ---    0.02696   0.02711   0.02974   0.03199   0.03460
     Eigenvalues ---    0.03770   0.04028   0.04049   0.04155   0.04209
     Eigenvalues ---    0.04388   0.04524   0.04698   0.04854   0.04948
     Eigenvalues ---    0.05039   0.05145   0.05185   0.05213   0.05316
     Eigenvalues ---    0.05410   0.05450   0.05456   0.05472   0.05534
     Eigenvalues ---    0.05590   0.05709   0.05730   0.05759   0.05812
     Eigenvalues ---    0.05847   0.05898   0.05949   0.05992   0.06092
     Eigenvalues ---    0.06348   0.06527   0.06697   0.06876   0.07069
     Eigenvalues ---    0.07512   0.07690   0.08170   0.08379   0.08644
     Eigenvalues ---    0.08981   0.09378   0.09719   0.09875   0.10337
     Eigenvalues ---    0.11911   0.12893   0.13133   0.13340   0.13437
     Eigenvalues ---    0.13743   0.13819   0.14279   0.14678   0.15484
     Eigenvalues ---    0.15676   0.15804   0.15945   0.15962   0.15978
     Eigenvalues ---    0.15983   0.15995   0.15997   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16001   0.16002   0.16003   0.16007
     Eigenvalues ---    0.16014   0.16028   0.16044   0.16063   0.16078
     Eigenvalues ---    0.16124   0.16161   0.16322   0.16849   0.16952
     Eigenvalues ---    0.17403   0.17694   0.17976   0.18335   0.18570
     Eigenvalues ---    0.19101   0.19318   0.19602   0.20516   0.21307
     Eigenvalues ---    0.21728   0.21932   0.21991   0.22000   0.22001
     Eigenvalues ---    0.22007   0.22129   0.22307   0.22385   0.23129
     Eigenvalues ---    0.23414   0.23486   0.23517   0.23663   0.23757
     Eigenvalues ---    0.24090   0.24233   0.24593   0.24672   0.24805
     Eigenvalues ---    0.25009   0.25033   0.25080   0.25249   0.25430
     Eigenvalues ---    0.25706   0.26305   0.28185   0.29223   0.29343
     Eigenvalues ---    0.29779   0.29904   0.29917   0.30128   0.30239
     Eigenvalues ---    0.30406   0.30673   0.30758   0.30954   0.31314
     Eigenvalues ---    0.31405   0.31429   0.31490   0.31540   0.31657
     Eigenvalues ---    0.31703   0.31912   0.32021   0.32070   0.32347
     Eigenvalues ---    0.32475   0.32544   0.32634   0.32765   0.32801
     Eigenvalues ---    0.32850   0.32899   0.32926   0.33039   0.33063
     Eigenvalues ---    0.33116   0.33166   0.33217   0.33294   0.33483
     Eigenvalues ---    0.33567   0.33622   0.33663   0.33692   0.33702
     Eigenvalues ---    0.33929   0.33976   0.34000   0.34102   0.34180
     Eigenvalues ---    0.34239   0.34361   0.34384   0.34489   0.34553
     Eigenvalues ---    0.34591   0.34723   0.35194   0.35644   0.36245
     Eigenvalues ---    0.36287   0.36313   0.36377   0.36630   0.36820
     Eigenvalues ---    0.36944   0.37075   0.38298   0.38484   0.38817
     Eigenvalues ---    0.39532   0.40234   0.41024   0.41451   0.42373
     Eigenvalues ---    0.42483   0.42898   0.43296   0.44064   0.44557
     Eigenvalues ---    0.44806   0.45202   0.46134   0.47542   0.48183
     Eigenvalues ---    0.48377   0.48514   0.48671   0.48865   0.49113
     Eigenvalues ---    0.49422   0.50045   0.50344   0.50989   0.51248
     Eigenvalues ---    0.51398   0.55498   0.56649   0.58211   0.59296
     Eigenvalues ---    0.62886   0.65201   0.75873   0.77823   0.79099
     Eigenvalues ---    0.85606   1.05385   2.581131000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-2.06733054D-03 EMin= 7.98887604D-04
 Quartic linear search produced a step of  0.16929.
 Iteration  1 RMS(Cart)=  0.10115945 RMS(Int)=  0.00565354
 Iteration  2 RMS(Cart)=  0.01271473 RMS(Int)=  0.00017503
 Iteration  3 RMS(Cart)=  0.00029928 RMS(Int)=  0.00002134
 Iteration  4 RMS(Cart)=  0.00000019 RMS(Int)=  0.00002134
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89408   0.00023   0.00003   0.00064   0.00067   2.89475
    R2        2.07184  -0.00001  -0.00002  -0.00024  -0.00027   2.07157
    R3        2.07483  -0.00019   0.00009  -0.00023  -0.00014   2.07469
    R4        2.07125   0.00018  -0.00002   0.00037   0.00035   2.07160
    R5        2.89543  -0.00031   0.00015  -0.00062  -0.00046   2.89496
    R6        2.82850  -0.00022   0.00018   0.00013   0.00031   2.82881
    R7        2.13043   0.00017  -0.00009   0.00016   0.00006   2.13050
    R8        2.07145   0.00012  -0.00003   0.00025   0.00022   2.07167
    R9        2.07365  -0.00006   0.00001  -0.00026  -0.00025   2.07340
   R10        2.07177   0.00008  -0.00004   0.00008   0.00004   2.07180
   R11        2.47924  -0.00019  -0.00004  -0.00108  -0.00112   2.47812
   R12        3.37196   0.00012   0.00023   0.00189   0.00211   3.37407
   R13        2.68095   0.00067   0.00003   0.00204   0.00208   2.68303
   R14        2.84186  -0.00029   0.00014   0.00026   0.00039   2.84226
   R15        2.58132  -0.00019   0.00002  -0.00086  -0.00083   2.58049
   R16        2.80529   0.00009   0.00042   0.00261   0.00303   2.80832
   R17        2.11518   0.00050   0.00029   0.00341   0.00370   2.11888
   R18        2.11798  -0.00012  -0.00014  -0.00072  -0.00086   2.11712
   R19        2.81531  -0.00056   0.00026  -0.00015   0.00012   2.81543
   R20        2.68656  -0.00017   0.00011   0.00062   0.00073   2.68729
   R21        2.08239   0.00001  -0.00005  -0.00033  -0.00037   2.08201
   R22        2.09302  -0.00014  -0.00012  -0.00073  -0.00085   2.09217
   R23        2.08242  -0.00005   0.00001   0.00009   0.00010   2.08252
   R24        2.31730   0.00048   0.00026   0.00162   0.00188   2.31919
   R25        2.69135  -0.00056   0.00040   0.00139   0.00179   2.69314
   R26        2.79462   0.00191   0.00051   0.00550   0.00601   2.80064
   R27        1.95361  -0.00054   0.00085   0.00316   0.00400   1.95761
   R28        2.91662   0.00157   0.00034   0.00035   0.00069   2.91732
   R29        2.94421   0.00092   0.00059   0.00519   0.00578   2.94999
   R30        2.13484  -0.00004   0.00004   0.00021   0.00025   2.13509
   R31        2.31791   0.00187   0.00013   0.00219   0.00232   2.32023
   R32        2.62084   0.00064  -0.00010  -0.00086  -0.00096   2.61988
   R33        2.81313   0.00328  -0.00040  -0.00002  -0.00042   2.81271
   R34        1.92433  -0.00015   0.00020   0.00111   0.00130   1.92563
   R35        2.91934   0.00042   0.00026   0.00074   0.00100   2.92034
   R36        2.91682   0.00192  -0.00075  -0.00230  -0.00305   2.91377
   R37        2.13328   0.00034  -0.00057  -0.00247  -0.00305   2.13024
   R38        2.84218   0.00004  -0.00007  -0.00078  -0.00085   2.84133
   R39        2.10267   0.00022  -0.00011  -0.00014  -0.00025   2.10242
   R40        2.09877  -0.00009   0.00010   0.00026   0.00036   2.09913
   R41        2.65341   0.00019  -0.00009  -0.00068  -0.00077   2.65265
   R42        2.65138   0.00024  -0.00008  -0.00019  -0.00027   2.65111
   R43        2.64003   0.00016  -0.00002   0.00006   0.00004   2.64007
   R44        2.05911   0.00001  -0.00006  -0.00039  -0.00045   2.05865
   R45        2.64282  -0.00005  -0.00003  -0.00053  -0.00056   2.64226
   R46        2.05883   0.00002   0.00000   0.00005   0.00005   2.05888
   R47        2.64233   0.00008  -0.00002  -0.00006  -0.00008   2.64225
   R48        2.05615   0.00001   0.00002   0.00010   0.00012   2.05628
   R49        2.64102   0.00001  -0.00002  -0.00045  -0.00047   2.64055
   R50        2.05858  -0.00001   0.00002   0.00009   0.00011   2.05869
   R51        2.05569  -0.00003   0.00000  -0.00005  -0.00005   2.05564
   R52        2.89458   0.00067  -0.00094  -0.00213  -0.00307   2.89150
   R53        2.09853   0.00057  -0.00010   0.00100   0.00091   2.09944
   R54        2.09119   0.00033  -0.00004   0.00081   0.00077   2.09196
   R55        2.72675   0.00022  -0.00039   0.00017  -0.00022   2.72653
   R56        2.95041  -0.00070   0.00049  -0.00194  -0.00144   2.94897
   R57        2.11694  -0.00060   0.00046  -0.00052  -0.00006   2.11689
   R58        1.89188  -0.00116   0.00026  -0.00115  -0.00089   1.89099
   R59        2.90209  -0.00003  -0.00051  -0.00043  -0.00094   2.90115
   R60        2.83336  -0.00229   0.00176   0.00754   0.00930   2.84266
   R61        2.12536   0.00010  -0.00023  -0.00011  -0.00034   2.12502
   R62        2.84291  -0.00028  -0.00035  -0.00233  -0.00269   2.84022
   R63        2.11192   0.00004  -0.00001   0.00087   0.00086   2.11278
   R64        2.09630   0.00017  -0.00021  -0.00081  -0.00103   2.09528
   R65        2.65146  -0.00003  -0.00012  -0.00047  -0.00059   2.65086
   R66        2.65172  -0.00003  -0.00005  -0.00078  -0.00083   2.65090
   R67        2.63903   0.00011  -0.00006  -0.00041  -0.00047   2.63856
   R68        2.06457  -0.00023  -0.00011  -0.00072  -0.00083   2.06373
   R69        2.64392   0.00002   0.00001   0.00000   0.00000   2.64392
   R70        2.05716   0.00006   0.00000   0.00006   0.00006   2.05722
   R71        2.64229   0.00005  -0.00001  -0.00025  -0.00026   2.64203
   R72        2.05479   0.00002   0.00002   0.00006   0.00008   2.05488
   R73        2.64107   0.00016  -0.00003   0.00009   0.00006   2.64112
   R74        2.05664  -0.00001   0.00002  -0.00001   0.00001   2.05665
   R75        2.05339  -0.00001   0.00002  -0.00010  -0.00008   2.05331
   R76        2.65562  -0.00463   0.00273   0.01147   0.01420   2.66982
   R77        1.96141  -0.00170   0.00094   0.00424   0.00518   1.96659
   R78        2.29277   0.00066  -0.00005   0.00078   0.00073   2.29350
   R79        2.64025  -0.00001   0.00001  -0.00016  -0.00015   2.64009
   R80        2.75748   0.00164  -0.00010   0.00188   0.00178   2.75926
   R81        2.79264  -0.00147  -0.00029  -0.00371  -0.00401   2.78863
   R82        2.09383  -0.00032  -0.00016  -0.00109  -0.00125   2.09259
   R83        2.09766   0.00011   0.00006  -0.00003   0.00003   2.09769
   R84        2.59241  -0.00122  -0.00020  -0.00263  -0.00285   2.58956
   R85        3.28377   0.00070   0.00001   0.00208   0.00209   3.28586
   R86        2.66036   0.00043  -0.00015   0.00035   0.00019   2.66055
   R87        2.05118   0.00002  -0.00009  -0.00063  -0.00072   2.05046
   R88        2.49447   0.00015   0.00052   0.00113   0.00165   2.49612
   R89        3.32354   0.00012  -0.00031   0.00238   0.00209   3.32562
   R90        2.04774   0.00095   0.00028   0.00336   0.00364   2.05138
   R91        2.89357  -0.00087   0.00157   0.00608   0.00765   2.90123
   R92        2.89236  -0.00074  -0.00014  -0.00181  -0.00195   2.89040
   R93        2.12038   0.00030  -0.00033  -0.00097  -0.00130   2.11907
   R94        2.07829  -0.00036   0.00051   0.00207   0.00258   2.08087
   R95        2.08514  -0.00003  -0.00031  -0.00052  -0.00084   2.08430
   R96        2.07193  -0.00040   0.00000  -0.00111  -0.00111   2.07082
   R97        2.07375   0.00030  -0.00010   0.00021   0.00011   2.07386
   R98        2.07799   0.00021  -0.00036  -0.00092  -0.00128   2.07672
   R99        2.06851  -0.00001  -0.00002  -0.00015  -0.00018   2.06834
   R100       3.27826   0.00028   0.00013   0.00213   0.00226   3.28052
   R101       2.03853   0.00004  -0.00011  -0.00029  -0.00040   2.03813
    A1        1.93543  -0.00006   0.00001  -0.00036  -0.00035   1.93508
    A2        1.94451   0.00004   0.00000   0.00036   0.00036   1.94487
    A3        1.96029   0.00008  -0.00005  -0.00019  -0.00024   1.96005
    A4        1.87317   0.00001  -0.00004   0.00028   0.00024   1.87342
    A5        1.87174  -0.00006   0.00010  -0.00018  -0.00008   1.87166
    A6        1.87456  -0.00002  -0.00002   0.00010   0.00008   1.87464
    A7        1.95171  -0.00006  -0.00001  -0.00024  -0.00026   1.95145
    A8        1.92447   0.00006  -0.00012  -0.00099  -0.00110   1.92337
    A9        1.88935   0.00001  -0.00016  -0.00063  -0.00080   1.88856
   A10        1.92750  -0.00001   0.00044   0.00259   0.00304   1.93054
   A11        1.88911   0.00001  -0.00013  -0.00061  -0.00073   1.88838
   A12        1.87949  -0.00002  -0.00004  -0.00019  -0.00023   1.87926
   A13        1.96083   0.00009   0.00006   0.00097   0.00103   1.96186
   A14        1.94535  -0.00008   0.00011   0.00019   0.00030   1.94565
   A15        1.93413   0.00002  -0.00011  -0.00036  -0.00047   1.93366
   A16        1.87551  -0.00001   0.00002  -0.00011  -0.00009   1.87541
   A17        1.87063  -0.00008   0.00004  -0.00116  -0.00111   1.86952
   A18        1.87322   0.00006  -0.00012   0.00040   0.00028   1.87349
   A19        2.20808   0.00006   0.00006   0.00108   0.00113   2.20921
   A20        2.11898  -0.00018   0.00003  -0.00122  -0.00119   2.11779
   A21        1.95612   0.00012  -0.00008   0.00014   0.00005   1.95617
   A22        1.96044  -0.00002   0.00013   0.00091   0.00104   1.96149
   A23        2.04439   0.00050   0.00037   0.00105   0.00142   2.04582
   A24        2.01245  -0.00017  -0.00005  -0.00122  -0.00127   2.01118
   A25        2.22626  -0.00034  -0.00032   0.00015  -0.00016   2.22609
   A26        1.98942  -0.00093  -0.00052  -0.00256  -0.00308   1.98634
   A27        1.91009   0.00003  -0.00025   0.00091   0.00066   1.91075
   A28        1.91740   0.00050   0.00042   0.00221   0.00263   1.92004
   A29        1.91784   0.00065   0.00010   0.00401   0.00411   1.92195
   A30        1.87728   0.00014   0.00002  -0.00093  -0.00091   1.87637
   A31        1.84618  -0.00035   0.00029  -0.00377  -0.00347   1.84270
   A32        1.98735   0.00022   0.00042  -0.00007   0.00031   1.98766
   A33        2.11344  -0.00005  -0.00045  -0.00256  -0.00304   2.11041
   A34        2.00860  -0.00027  -0.00012  -0.00440  -0.00454   2.00406
   A35        1.89800  -0.00016  -0.00020  -0.00161  -0.00180   1.89619
   A36        1.92146  -0.00001   0.00023   0.00052   0.00075   1.92221
   A37        1.96778  -0.00008   0.00006   0.00044   0.00050   1.96828
   A38        1.88690   0.00019   0.00010   0.00185   0.00195   1.88885
   A39        1.89999   0.00011  -0.00014   0.00017   0.00003   1.90002
   A40        1.88801  -0.00003  -0.00006  -0.00128  -0.00134   1.88667
   A41        2.12467   0.00029  -0.00010   0.00004  -0.00011   2.12456
   A42        2.05207  -0.00090   0.00024  -0.00103  -0.00084   2.05123
   A43        2.10611   0.00061   0.00005   0.00119   0.00120   2.10731
   A44        2.02831   0.00119  -0.00049   0.00173   0.00124   2.02955
   A45        2.07357  -0.00085   0.00021  -0.00449  -0.00428   2.06928
   A46        1.98796  -0.00014   0.00112   0.00039   0.00150   1.98947
   A47        1.91366   0.00110   0.00134   0.00615   0.00749   1.92115
   A48        1.89700  -0.00105  -0.00062   0.00424   0.00361   1.90060
   A49        1.88221   0.00025  -0.00115  -0.00181  -0.00295   1.87926
   A50        1.94349   0.00222   0.00002  -0.00154  -0.00155   1.94194
   A51        1.92196  -0.00212  -0.00040  -0.00552  -0.00591   1.91605
   A52        1.90432  -0.00045   0.00076  -0.00144  -0.00068   1.90363
   A53        2.14006   0.00374  -0.00027  -0.00018  -0.00047   2.13958
   A54        2.03562  -0.00791   0.00164   0.00358   0.00520   2.04082
   A55        2.10735   0.00420  -0.00136  -0.00320  -0.00459   2.10276
   A56        2.11482   0.01121  -0.00126  -0.00348  -0.00475   2.11007
   A57        2.12423  -0.00580   0.00082   0.00118   0.00199   2.12622
   A58        2.03931  -0.00518   0.00072   0.00213   0.00284   2.04215
   A59        1.91176  -0.00405   0.00055   0.00063   0.00119   1.91295
   A60        1.93702   0.00559   0.00021   0.00285   0.00306   1.94008
   A61        1.87234   0.00052  -0.00114  -0.00454  -0.00568   1.86666
   A62        1.95756  -0.00295  -0.00021  -0.00157  -0.00179   1.95577
   A63        1.88517   0.00096   0.00039   0.00131   0.00170   1.88687
   A64        1.89721   0.00001   0.00016   0.00114   0.00130   1.89851
   A65        1.99712  -0.00002   0.00056   0.00197   0.00253   1.99965
   A66        1.89651  -0.00004  -0.00030  -0.00117  -0.00147   1.89504
   A67        1.89891  -0.00001   0.00019   0.00020   0.00039   1.89930
   A68        1.91811   0.00006  -0.00023  -0.00046  -0.00069   1.91742
   A69        1.92094   0.00003  -0.00021  -0.00034  -0.00055   1.92039
   A70        1.82407  -0.00003  -0.00007  -0.00042  -0.00049   1.82358
   A71        2.09342   0.00006  -0.00015  -0.00041  -0.00056   2.09286
   A72        2.10448   0.00000   0.00012   0.00013   0.00025   2.10472
   A73        2.08525  -0.00006   0.00003   0.00028   0.00031   2.08556
   A74        2.09714  -0.00002   0.00000  -0.00019  -0.00019   2.09695
   A75        2.09745   0.00003   0.00005   0.00042   0.00048   2.09792
   A76        2.08850  -0.00001  -0.00004  -0.00023  -0.00028   2.08822
   A77        2.09849   0.00003   0.00000   0.00004   0.00003   2.09853
   A78        2.09099  -0.00002   0.00001  -0.00010  -0.00009   2.09090
   A79        2.09369  -0.00001   0.00000   0.00006   0.00006   2.09375
   A80        2.08967   0.00003  -0.00001   0.00001   0.00000   2.08967
   A81        2.09651   0.00001   0.00002   0.00030   0.00032   2.09683
   A82        2.09700  -0.00004  -0.00001  -0.00031  -0.00031   2.09668
   A83        2.09921   0.00003   0.00000   0.00000  -0.00001   2.09921
   A84        2.09298  -0.00001   0.00002   0.00007   0.00009   2.09307
   A85        2.09099  -0.00002  -0.00001  -0.00007  -0.00008   2.09091
   A86        2.09654   0.00000  -0.00001  -0.00013  -0.00014   2.09639
   A87        2.09816  -0.00001   0.00004   0.00005   0.00009   2.09825
   A88        2.08847   0.00000  -0.00003   0.00008   0.00006   2.08853
   A89        1.95593   0.00881   0.00047   0.00401   0.00448   1.96041
   A90        1.92811  -0.00302  -0.00062  -0.00062  -0.00123   1.92688
   A91        1.90781  -0.00220   0.00017  -0.00122  -0.00107   1.90675
   A92        1.89867  -0.00095  -0.00095  -0.00446  -0.00540   1.89326
   A93        1.93089  -0.00451   0.00065   0.00159   0.00224   1.93312
   A94        1.83896   0.00133   0.00025   0.00045   0.00071   1.83967
   A95        1.88826   0.00195  -0.00131  -0.00570  -0.00701   1.88125
   A96        1.99993  -0.00666   0.00118  -0.00184  -0.00067   1.99926
   A97        1.94321   0.00176   0.00022   0.00530   0.00552   1.94873
   A98        1.79389   0.00088   0.00007   0.00082   0.00089   1.79478
   A99        1.89668  -0.00038  -0.00050  -0.00013  -0.00062   1.89606
   A100       1.93307   0.00260   0.00018   0.00092   0.00109   1.93416
   A101       1.91028   0.00084  -0.00003   0.00427   0.00424   1.91453
   A102       1.94389  -0.00022  -0.00037  -0.00414  -0.00449   1.93939
   A103       1.88819   0.00574   0.00091   0.00950   0.01041   1.89860
   A104       1.91217  -0.00270   0.00029  -0.00053  -0.00025   1.91192
   A105       1.97029  -0.00483  -0.00067  -0.00312  -0.00378   1.96651
   A106       1.91184   0.00196  -0.00019   0.00067   0.00047   1.91232
   A107       1.83382   0.00005   0.00008  -0.00215  -0.00209   1.83173
   A108       1.94753  -0.00008  -0.00020  -0.00158  -0.00179   1.94575
   A109       1.92458  -0.00025  -0.00071  -0.00238  -0.00310   1.92147
   A110       1.91161   0.00025   0.00026   0.00357   0.00382   1.91543
   A111       1.92057  -0.00008  -0.00003  -0.00245  -0.00249   1.91807
   A112       1.92372   0.00015   0.00056   0.00429   0.00485   1.92857
   A113       1.83249   0.00001   0.00015  -0.00137  -0.00121   1.83128
   A114       2.09430  -0.00064  -0.00024  -0.00359  -0.00383   2.09047
   A115       2.09922   0.00050   0.00013   0.00241   0.00253   2.10175
   A116       2.08966   0.00014   0.00012   0.00119   0.00130   2.09096
   A117       2.09478  -0.00004  -0.00007  -0.00063  -0.00070   2.09409
   A118       2.08783  -0.00010   0.00006  -0.00060  -0.00055   2.08728
   A119       2.10053   0.00014   0.00001   0.00123   0.00124   2.10177
   A120       2.09827  -0.00003   0.00001  -0.00004  -0.00002   2.09824
   A121       2.09104   0.00003  -0.00006  -0.00016  -0.00022   2.09082
   A122       2.09388   0.00000   0.00005   0.00020   0.00024   2.09413
   A123       2.09119   0.00002   0.00002   0.00024   0.00026   2.09145
   A124       2.09584  -0.00003   0.00002  -0.00007  -0.00004   2.09579
   A125       2.09615   0.00000  -0.00004  -0.00018  -0.00022   2.09594
   A126       2.09851   0.00002  -0.00003  -0.00006  -0.00009   2.09842
   A127       2.09304   0.00001  -0.00002   0.00000  -0.00002   2.09303
   A128       2.09163  -0.00003   0.00005   0.00005   0.00011   2.09174
   A129       2.09395  -0.00012  -0.00005  -0.00071  -0.00075   2.09320
   A130       2.09831   0.00011  -0.00001   0.00055   0.00054   2.09885
   A131       2.09093   0.00000   0.00006   0.00016   0.00022   2.09114
   A132       2.07815  -0.00014   0.00035   0.00257   0.00291   2.08107
   A133       1.94897   0.00028   0.00133   0.00072   0.00205   1.95101
   A134       1.99947   0.00143   0.00028  -0.00486  -0.00459   1.99488
   A135       2.26614  -0.00248  -0.00064  -0.00120  -0.00184   2.26430
   A136       1.89148   0.00347   0.00166   0.00758   0.00924   1.90072
   A137       2.12336  -0.00120  -0.00103  -0.00618  -0.00722   2.11614
   A138       2.00997  -0.00438  -0.00194  -0.01310  -0.01504   1.99493
   A139       1.88372   0.00298  -0.00073  -0.00806  -0.00884   1.87488
   A140       1.78403  -0.00046   0.00123   0.00848   0.00972   1.79375
   A141       1.89649  -0.00145  -0.00102  -0.00651  -0.00760   1.88889
   A142       1.98713   0.00036   0.00111   0.00723   0.00835   1.99548
   A143       1.97778  -0.00154  -0.00057  -0.00273  -0.00337   1.97441
   A144       1.92219   0.00022   0.00003   0.00166   0.00170   1.92389
   A145       2.26197   0.00228   0.00024   0.00155   0.00166   2.26363
   A146       2.10711  -0.00319  -0.00059  -0.00581  -0.00651   2.10059
   A147       1.91085   0.00092   0.00018   0.00239   0.00248   1.91332
   A148       2.01361  -0.00095  -0.00001  -0.00117  -0.00117   2.01244
   A149       2.20989   0.00066  -0.00019   0.00173   0.00152   2.21141
   A150       2.05968   0.00028   0.00020  -0.00057  -0.00039   2.05930
   A151       1.94751   0.00085  -0.00016   0.00080   0.00070   1.94821
   A152       1.97472  -0.00045   0.00008  -0.00024  -0.00030   1.97442
   A153       2.18392   0.00008  -0.00021  -0.00127  -0.00171   2.18220
   A154       2.12450   0.00036   0.00013   0.00119   0.00108   2.12559
   A155       1.57800  -0.00037  -0.00009  -0.00185  -0.00185   1.57615
   A156       1.95826   0.00200  -0.00024   0.00624   0.00599   1.96425
   A157       1.92920  -0.00144   0.00111   0.00067   0.00177   1.93097
   A158       1.85239  -0.00006  -0.00090  -0.00281  -0.00371   1.84868
   A159       1.94061  -0.00002   0.00066  -0.00125  -0.00061   1.94000
   A160       1.88929  -0.00126   0.00062   0.00110   0.00172   1.89101
   A161       1.89028   0.00075  -0.00138  -0.00440  -0.00578   1.88450
   A162       1.94252   0.00052  -0.00085   0.00129   0.00044   1.94297
   A163       1.96024   0.00137   0.00060   0.00449   0.00510   1.96534
   A164       1.94667  -0.00065   0.00043  -0.00065  -0.00022   1.94645
   A165       1.85718  -0.00082  -0.00123  -0.00595  -0.00717   1.85001
   A166       1.87207  -0.00013   0.00197   0.00455   0.00652   1.87859
   A167       1.88028  -0.00036  -0.00094  -0.00408  -0.00502   1.87527
   A168       1.93187  -0.00001  -0.00046  -0.00196  -0.00242   1.92945
   A169       1.96460  -0.00014   0.00030   0.00073   0.00103   1.96563
   A170       1.96166  -0.00020   0.00014   0.00006   0.00019   1.96185
   A171       1.85186   0.00007   0.00004  -0.00122  -0.00118   1.85068
   A172       1.86150   0.00021  -0.00031  -0.00011  -0.00042   1.86107
   A173       1.88610   0.00011   0.00026   0.00247   0.00273   1.88883
   A174       1.91499   0.00015   0.00002   0.00118   0.00120   1.91619
   A175       2.23446   0.00012  -0.00012   0.00201   0.00188   2.23634
   A176       2.13370  -0.00027   0.00009  -0.00316  -0.00307   2.13064
   A177       1.58076  -0.00009  -0.00002  -0.00099  -0.00101   1.57975
    D1        1.11543  -0.00005   0.00122   0.00671   0.00793   1.12336
    D2       -3.01601  -0.00006   0.00170   0.00917   0.01086  -3.00515
    D3       -0.96408  -0.00004   0.00148   0.00801   0.00950  -0.95459
    D4       -3.08250  -0.00005   0.00118   0.00706   0.00824  -3.07427
    D5       -0.93076  -0.00006   0.00166   0.00952   0.01117  -0.91959
    D6        1.12116  -0.00004   0.00145   0.00836   0.00981   1.13097
    D7       -0.97855   0.00001   0.00112   0.00732   0.00843  -0.97012
    D8        1.17320   0.00000   0.00159   0.00977   0.01137   1.18456
    D9       -3.05807   0.00002   0.00138   0.00862   0.01000  -3.04806
   D10        1.01115   0.00000  -0.00024   0.00632   0.00608   1.01723
   D11        3.11731  -0.00001  -0.00011   0.00699   0.00689   3.12420
   D12       -1.08088   0.00002  -0.00026   0.00738   0.00712  -1.07376
   D13       -1.13888  -0.00003  -0.00040   0.00589   0.00548  -1.13339
   D14        0.96728  -0.00004  -0.00027   0.00656   0.00630   0.97358
   D15        3.05227  -0.00001  -0.00042   0.00695   0.00653   3.05880
   D16        3.09081  -0.00001  -0.00053   0.00500   0.00447   3.09528
   D17       -1.08621  -0.00002  -0.00039   0.00568   0.00528  -1.08093
   D18        0.99878   0.00002  -0.00055   0.00607   0.00552   1.00430
   D19        2.03776   0.00008  -0.00128  -0.01221  -0.01349   2.02426
   D20       -1.10029  -0.00002   0.00002  -0.01010  -0.01009  -1.11038
   D21       -2.07965   0.00005  -0.00107  -0.01140  -0.01247  -2.09212
   D22        1.06549  -0.00005   0.00023  -0.00929  -0.00907   1.05642
   D23       -0.02025   0.00004  -0.00100  -0.01079  -0.01179  -0.03204
   D24        3.12489  -0.00006   0.00030  -0.00868  -0.00838   3.11650
   D25       -3.13378  -0.00007   0.00038  -0.00073  -0.00035  -3.13413
   D26        0.00455   0.00002  -0.00081  -0.00268  -0.00349   0.00105
   D27        3.13551   0.00000  -0.00017   0.00041   0.00024   3.13575
   D28       -0.00301  -0.00009   0.00095   0.00223   0.00318   0.00018
   D29        3.12436   0.00008  -0.00001   0.00106   0.00105   3.12541
   D30       -0.00432   0.00008   0.00019   0.00191   0.00209  -0.00223
   D31        2.13828  -0.00018  -0.00480  -0.02018  -0.02498   2.11331
   D32       -1.98959   0.00002  -0.00523  -0.01607  -0.02130  -2.01089
   D33        0.03021  -0.00010  -0.00478  -0.01884  -0.02362   0.00659
   D34       -1.01803  -0.00017  -0.00502  -0.02115  -0.02617  -1.04421
   D35        1.13728   0.00003  -0.00545  -0.01705  -0.02250   1.11478
   D36       -3.12611  -0.00009  -0.00500  -0.01981  -0.02482   3.13226
   D37        0.00191  -0.00014   0.00054  -0.00016   0.00038   0.00229
   D38        3.13449   0.00013  -0.00034   0.00351   0.00318   3.13768
   D39       -3.12519  -0.00016   0.00075   0.00078   0.00154  -3.12365
   D40        0.00739   0.00011  -0.00012   0.00446   0.00434   0.01173
   D41       -1.19600  -0.00011   0.00044  -0.00384  -0.00339  -1.19940
   D42        1.31584  -0.00037   0.00018  -0.01664  -0.01647   1.29937
   D43        2.93608   0.00002   0.00107  -0.00626  -0.00519   2.93089
   D44       -0.83526  -0.00023   0.00080  -0.01907  -0.01827  -0.85353
   D45        0.93432   0.00003   0.00066  -0.00336  -0.00270   0.93162
   D46       -2.83702  -0.00023   0.00039  -0.01617  -0.01578  -2.85280
   D47       -1.16682  -0.00002  -0.00096  -0.01108  -0.01203  -1.17886
   D48        3.05209  -0.00016  -0.00110  -0.01266  -0.01376   3.03833
   D49        0.94204  -0.00005  -0.00123  -0.01169  -0.01292   0.92912
   D50        2.56537   0.00015  -0.00057   0.00036  -0.00021   2.56516
   D51        0.50109   0.00001  -0.00071  -0.00123  -0.00193   0.49916
   D52       -1.60896   0.00012  -0.00084  -0.00025  -0.00109  -1.61005
   D53       -2.76520   0.00000   0.00825   0.01933   0.02757  -2.73763
   D54        0.40401   0.00011   0.00333   0.01117   0.01449   0.41850
   D55       -0.26045  -0.00010   0.00816   0.00783   0.01599  -0.24446
   D56        2.90876   0.00002   0.00323  -0.00033   0.00292   2.91167
   D57        2.87627   0.00015   0.00772   0.00344   0.01116   2.88743
   D58        0.40093  -0.00011   0.00605   0.00679   0.01285   0.41377
   D59       -0.23801   0.00026   0.00285  -0.00461  -0.00176  -0.23977
   D60       -2.71336   0.00001   0.00119  -0.00125  -0.00007  -2.71343
   D61       -1.53870   0.00182   0.01000   0.04560   0.05562  -1.48308
   D62        2.61638  -0.00093   0.00953   0.04100   0.05052   2.66690
   D63        0.55408   0.00004   0.00961   0.04140   0.05101   0.60510
   D64        0.96891   0.00176   0.01127   0.04053   0.05181   1.02072
   D65       -1.15919  -0.00099   0.01081   0.03592   0.04671  -1.11248
   D66        3.06170  -0.00002   0.01089   0.03632   0.04721   3.10890
   D67       -0.58828   0.00016   0.00103   0.01308   0.01411  -0.57417
   D68        2.57258  -0.00206   0.00072   0.00159   0.00230   2.57488
   D69        1.51176   0.00100   0.00115   0.02147   0.02262   1.53438
   D70       -1.61055  -0.00122   0.00084   0.00998   0.01081  -1.59975
   D71       -2.65661   0.00047   0.00185   0.01489   0.01676  -2.63985
   D72        0.50426  -0.00175   0.00155   0.00340   0.00495   0.50920
   D73        1.08729  -0.00019   0.00061  -0.01208  -0.01149   1.07581
   D74       -3.01891   0.00017   0.00212  -0.00861  -0.00648  -3.02539
   D75       -0.97294   0.00028   0.00055  -0.01508  -0.01453  -0.98747
   D76       -1.02255  -0.00226  -0.00067  -0.02156  -0.02223  -1.04477
   D77        1.15443  -0.00190   0.00085  -0.01808  -0.01723   1.13721
   D78       -3.08278  -0.00178  -0.00073  -0.02455  -0.02528  -3.10805
   D79        3.13555  -0.00073  -0.00069  -0.01266  -0.01337   3.12219
   D80       -0.97065  -0.00037   0.00082  -0.00919  -0.00836  -0.97901
   D81        1.07532  -0.00026  -0.00075  -0.01566  -0.01641   1.05891
   D82        3.09310   0.00325  -0.00229  -0.01353  -0.01583   3.07727
   D83        0.06034   0.00099  -0.00532  -0.01167  -0.01700   0.04334
   D84       -0.02961   0.00109  -0.00260  -0.02483  -0.02742  -0.05703
   D85       -3.06236  -0.00118  -0.00563  -0.02297  -0.02859  -3.09096
   D86        2.59272  -0.00143   0.00294   0.01645   0.01939   2.61211
   D87       -1.51954  -0.00419   0.00321   0.01686   0.02007  -1.49947
   D88        0.55070  -0.00072   0.00282   0.01709   0.01991   0.57061
   D89       -0.65262   0.00062   0.00585   0.01464   0.02048  -0.63214
   D90        1.51830  -0.00213   0.00611   0.01505   0.02116   1.53947
   D91       -2.69464   0.00134   0.00572   0.01528   0.02100  -2.67364
   D92        1.05046   0.00107  -0.00148  -0.00147  -0.00296   1.04750
   D93       -1.10028   0.00104  -0.00134  -0.00136  -0.00271  -1.10299
   D94       -3.07645   0.00110  -0.00121  -0.00037  -0.00158  -3.07803
   D95       -1.10844  -0.00111  -0.00201  -0.00450  -0.00650  -1.11495
   D96        3.02400  -0.00115  -0.00187  -0.00439  -0.00625   3.01775
   D97        1.04783  -0.00109  -0.00174  -0.00339  -0.00512   1.04271
   D98        3.08438   0.00004  -0.00233  -0.00581  -0.00814   3.07625
   D99        0.93364   0.00000  -0.00219  -0.00570  -0.00789   0.92576
   D100      -1.04253   0.00006  -0.00206  -0.00470  -0.00676  -1.04928
   D101       1.27787   0.00513  -0.00223  -0.00025  -0.00247   1.27539
   D102      -0.84241   0.00243  -0.00091   0.00314   0.00223  -0.84018
   D103      -2.85825   0.00382  -0.00096   0.00365   0.00269  -2.85555
   D104      -2.86062   0.00185  -0.00151   0.00152   0.00002  -2.86060
   D105       1.30229  -0.00085  -0.00019   0.00491   0.00473   1.30701
   D106      -0.71355   0.00054  -0.00024   0.00542   0.00518  -0.70836
   D107      -0.77730   0.00123  -0.00105   0.00293   0.00188  -0.77542
   D108      -2.89758  -0.00147   0.00027   0.00632   0.00659  -2.89099
   D109       1.36977  -0.00008   0.00022   0.00683   0.00705   1.37682
   D110      -1.66379   0.00001  -0.00237  -0.00611  -0.00848  -1.67227
   D111       1.48709   0.00001  -0.00218  -0.00568  -0.00786   1.47923
   D112       0.47527  -0.00001  -0.00254  -0.00658  -0.00912   0.46614
   D113      -2.65704  -0.00001  -0.00235  -0.00615  -0.00850  -2.66554
   D114       2.47499   0.00001  -0.00287  -0.00754  -0.01041   2.46458
   D115      -0.65731   0.00001  -0.00268  -0.00712  -0.00979  -0.66711
   D116       3.13986   0.00001   0.00010   0.00046   0.00056   3.14042
   D117      -0.01717   0.00001   0.00030   0.00090   0.00120  -0.01597
   D118      -0.01091   0.00001  -0.00010   0.00004  -0.00006  -0.01097
   D119       3.11524   0.00001   0.00011   0.00048   0.00058   3.11582
   D120      -3.13955   0.00000  -0.00014  -0.00059  -0.00073  -3.14028
   D121       0.00809  -0.00001  -0.00004  -0.00051  -0.00056   0.00754
   D122       0.01129   0.00000   0.00006  -0.00017  -0.00011   0.01118
   D123      -3.12426  -0.00001   0.00016  -0.00009   0.00007  -3.12419
   D124       0.00244  -0.00001   0.00009   0.00012   0.00021   0.00265
   D125       3.13959   0.00000   0.00017   0.00050   0.00067   3.14026
   D126      -3.12379  -0.00001  -0.00012  -0.00031  -0.00043  -3.12422
   D127       0.01336  -0.00001  -0.00004   0.00006   0.00003   0.01339
   D128       0.00571   0.00000  -0.00003  -0.00017  -0.00020   0.00551
   D129      -3.14112   0.00000   0.00005   0.00029   0.00034  -3.14078
   D130      -3.13143   0.00000  -0.00011  -0.00054  -0.00066  -3.13209
   D131       0.00492   0.00000  -0.00003  -0.00009  -0.00012   0.00480
   D132      -0.00533   0.00000  -0.00001   0.00004   0.00004  -0.00530
   D133       3.13393   0.00000   0.00002   0.00015   0.00016   3.13409
   D134       3.14150   0.00001  -0.00009  -0.00041  -0.00051   3.14099
   D135      -0.00243   0.00000  -0.00007  -0.00031  -0.00038  -0.00281
   D136      -0.00320   0.00000  -0.00001   0.00013   0.00012  -0.00308
   D137       3.13237   0.00000  -0.00010   0.00005  -0.00005   3.13232
   D138       3.14072   0.00000  -0.00003   0.00002  -0.00001   3.14071
   D139      -0.00689   0.00000  -0.00012  -0.00006  -0.00018  -0.00707
   D140      -1.74955  -0.00120  -0.00441  -0.03260  -0.03700  -1.78655
   D141       2.54426   0.00020  -0.00433  -0.02889  -0.03321   2.51105
   D142       0.33349   0.00062  -0.00573  -0.03320  -0.03893   0.29456
   D143       0.38755   0.00013  -0.00554  -0.03384  -0.03937   0.34818
   D144      -1.60182   0.00154  -0.00545  -0.03013  -0.03558  -1.63740
   D145       2.47059   0.00195  -0.00685  -0.03444  -0.04130   2.42929
   D146       2.39965  -0.00132  -0.00542  -0.03499  -0.04041   2.35924
   D147       0.41028   0.00009  -0.00533  -0.03128  -0.03662   0.37366
   D148      -1.80050   0.00050  -0.00673  -0.03559  -0.04234  -1.84283
   D149       1.69258   0.00333  -0.00657  -0.03535  -0.04192   1.65067
   D150      -2.46868  -0.00297  -0.00578  -0.03971  -0.04549  -2.51417
   D151      -0.41959   0.00027  -0.00576  -0.03830  -0.04407  -0.46366
   D152      -1.15705  -0.00003   0.00085   0.00117   0.00202  -1.15503
   D153       2.95099   0.00219   0.00130   0.00122   0.00252   2.95351
   D154       0.96088   0.00046   0.00057  -0.00105  -0.00048   0.96040
   D155       3.08204   0.00032   0.00180   0.00842   0.01022   3.09226
   D156       0.90690   0.00255   0.00225   0.00846   0.01072   0.91762
   D157      -1.08321   0.00082   0.00152   0.00620   0.00772  -1.07550
   D158       1.05893  -0.00084   0.00226   0.00772   0.00998   1.06891
   D159      -1.11621   0.00138   0.00271   0.00777   0.01049  -1.10573
   D160      -3.10632  -0.00035   0.00198   0.00551   0.00748  -3.09884
   D161       2.93254  -0.00173   0.00167   0.00186   0.00352   2.93606
   D162      -1.21063  -0.00206   0.00098  -0.00405  -0.00306  -1.21369
   D163       0.79758  -0.00204   0.00091  -0.00500  -0.00409   0.79349
   D164      -1.22237   0.00210   0.00210   0.00893   0.01103  -1.21134
   D165       0.91764   0.00177   0.00142   0.00303   0.00445   0.92209
   D166       2.92586   0.00179   0.00135   0.00207   0.00342   2.92928
   D167       0.81442   0.00049   0.00167   0.00478   0.00645   0.82087
   D168       2.95443   0.00016   0.00098  -0.00112  -0.00014   2.95430
   D169      -1.32054   0.00018   0.00091  -0.00208  -0.00117  -1.32170
   D170       1.19080   0.00347  -0.00493  -0.01535  -0.02028   1.17052
   D171      -1.20210   0.00092  -0.00743  -0.01129  -0.01872  -1.22083
   D172      -0.96852   0.00284  -0.00468  -0.01485  -0.01952  -0.98804
   D173       2.92175   0.00030  -0.00717  -0.01079  -0.01796   2.90379
   D174      -3.05103   0.00307  -0.00413  -0.01260  -0.01672  -3.06775
   D175       0.83925   0.00052  -0.00663  -0.00853  -0.01517   0.82408
   D176       1.66112  -0.00036  -0.00212  -0.01581  -0.01793   1.64320
   D177      -1.48447  -0.00031  -0.00199  -0.01410  -0.01609  -1.50056
   D178      -0.48118   0.00007  -0.00105  -0.00995  -0.01101  -0.49219
   D179       2.65641   0.00012  -0.00093  -0.00824  -0.00917   2.64724
   D180      -2.49408   0.00002  -0.00154  -0.00935  -0.01088  -2.50496
   D181       0.64351   0.00006  -0.00141  -0.00764  -0.00905   0.63446
   D182       3.13451   0.00003   0.00009   0.00117   0.00125   3.13577
   D183      -0.01585   0.00000  -0.00005   0.00019   0.00013  -0.01571
   D184      -0.00310  -0.00002  -0.00003  -0.00054  -0.00057  -0.00368
   D185       3.12973  -0.00005  -0.00018  -0.00152  -0.00169   3.12803
   D186      -3.13420  -0.00002  -0.00004  -0.00094  -0.00099  -3.13519
   D187       0.00838  -0.00004  -0.00014  -0.00162  -0.00176   0.00662
   D188       0.00340   0.00002   0.00008   0.00076   0.00084   0.00424
   D189      -3.13720   0.00001  -0.00002   0.00008   0.00006  -3.13714
   D190       0.00020   0.00000  -0.00005  -0.00006  -0.00011   0.00009
   D191       3.14044  -0.00001  -0.00008  -0.00035  -0.00043   3.14001
   D192      -3.13257   0.00004   0.00009   0.00094   0.00103  -3.13154
   D193       0.00768   0.00003   0.00007   0.00064   0.00071   0.00839
   D194       0.00241   0.00001   0.00009   0.00044   0.00052   0.00294
   D195      -3.14044   0.00000   0.00002   0.00003   0.00005  -3.14039
   D196      -3.13783   0.00002   0.00011   0.00073   0.00084  -3.13699
   D197       0.00250   0.00001   0.00005   0.00032   0.00037   0.00288
   D198      -0.00211   0.00000  -0.00004  -0.00022  -0.00026  -0.00237
   D199       3.13904   0.00000  -0.00004  -0.00021  -0.00026   3.13878
   D200       3.14074   0.00001   0.00002   0.00020   0.00022   3.14096
   D201      -0.00129   0.00001   0.00002   0.00020   0.00022  -0.00108
   D202      -0.00080  -0.00001  -0.00004  -0.00038  -0.00042  -0.00122
   D203       3.13981   0.00000   0.00005   0.00029   0.00035   3.14016
   D204       3.14124  -0.00001  -0.00004  -0.00039  -0.00042   3.14081
   D205      -0.00134   0.00000   0.00006   0.00029   0.00035  -0.00099
   D206       0.68541  -0.00026  -0.00066  -0.01287  -0.01353   0.67188
   D207      -2.52787  -0.00363  -0.00087  -0.00994  -0.01080  -2.53867
   D208       3.05787   0.00186   0.00233  -0.01468  -0.01235   3.04552
   D209      -0.15541  -0.00150   0.00213  -0.01175  -0.00962  -0.16503
   D210       3.04143   0.00652  -0.00375   0.00287  -0.00088   3.04055
   D211      -0.16482   0.00340  -0.00393   0.00570   0.00176  -0.16306
   D212      -1.35268   0.00245   0.00961   0.06443   0.07399  -1.27869
   D213       2.83038   0.00096   0.00805   0.05549   0.06354   2.89391
   D214       0.79857   0.00153   0.00783   0.05217   0.06006   0.85863
   D215      -1.48117  -0.00206  -0.02509  -0.19440  -0.21949  -1.70066
   D216       1.56400  -0.00193  -0.02782  -0.22183  -0.24960   1.31440
   D217       0.48620  -0.00060  -0.02345  -0.18517  -0.20865   0.27756
   D218      -2.75181  -0.00046  -0.02618  -0.21260  -0.23876  -2.99057
   D219       2.70104  -0.00132  -0.02294  -0.17895  -0.20193   2.49911
   D220      -0.53697  -0.00119  -0.02566  -0.20638  -0.23204  -0.76901
   D221       3.06324   0.00034  -0.00280  -0.01524  -0.01811   3.04513
   D222      -0.08174  -0.00007  -0.00355  -0.02089  -0.02450  -0.10624
   D223       0.00954   0.00042  -0.00029   0.01014   0.00987   0.01940
   D224      -3.13544   0.00000  -0.00103   0.00448   0.00348  -3.13196
   D225      -3.06562  -0.00062   0.00356   0.01466   0.01814  -3.04748
   D226      -0.00279  -0.00039   0.00134  -0.00770  -0.00637  -0.00916
   D227      -0.01338  -0.00021  -0.00140  -0.00745  -0.00886  -0.02224
   D228       3.13129   0.00017  -0.00072  -0.00231  -0.00307   3.12823
   D229       0.01073  -0.00010   0.00243   0.00109   0.00353   0.01426
   D230      -3.12074   0.00071   0.00348   0.03690   0.04034  -3.08040
   D231      -0.00473   0.00029  -0.00223   0.00387   0.00163  -0.00310
   D232       3.12713  -0.00049  -0.00324  -0.03058  -0.03385   3.09328
   D233      -1.10536  -0.00055   0.00404  -0.02461  -0.02058  -1.12593
   D234       0.97493  -0.00032   0.00230  -0.02827  -0.02598   0.94895
   D235       3.08777  -0.00029   0.00182  -0.03083  -0.02901   3.05876
   D236       3.00716  -0.00014   0.00227  -0.02921  -0.02695   2.98022
   D237      -1.19574   0.00009   0.00052  -0.03287  -0.03235  -1.22809
   D238       0.91710   0.00012   0.00005  -0.03543  -0.03538   0.88172
   D239       0.93286  -0.00026   0.00318  -0.02377  -0.02058   0.91228
   D240       3.01314  -0.00003   0.00144  -0.02743  -0.02598   2.98716
   D241      -1.15720   0.00000   0.00097  -0.02999  -0.02902  -1.18622
   D242       2.98703  -0.00062  -0.00223  -0.00703  -0.00927   2.97777
   D243      -1.22700  -0.00063  -0.00229  -0.00944  -0.01173  -1.23873
   D244       0.90761  -0.00074  -0.00162  -0.00559  -0.00721   0.90040
   D245      -1.10915   0.00090  -0.00126   0.00065  -0.00061  -1.10976
   D246       0.96001   0.00089  -0.00132  -0.00175  -0.00307   0.95693
   D247       3.09462   0.00078  -0.00065   0.00209   0.00145   3.09607
   D248       0.96456  -0.00019  -0.00097  -0.00149  -0.00246   0.96210
   D249       3.03371  -0.00020  -0.00103  -0.00390  -0.00493   3.02879
   D250      -1.11486  -0.00031  -0.00036  -0.00005  -0.00041  -1.11527
   D251       0.00053   0.00012  -0.00081  -0.00110  -0.00191  -0.00138
   D252      -3.13267  -0.00013   0.00001  -0.00455  -0.00453  -3.13721
         Item               Value     Threshold  Converged?
 Maximum Force            0.011208     0.000450     NO 
 RMS     Force            0.001433     0.000300     NO 
 Maximum Displacement     0.804950     0.001800     NO 
 RMS     Displacement     0.108841     0.001200     NO 
 Predicted change in Energy=-1.491549D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.583765   -2.089715    1.347230
      2          6           0       -9.291149   -1.212782    0.125803
      3          6           0      -10.230565   -0.004791    0.054230
      4          6           0       -7.861669   -0.768645    0.138850
      5          7           0       -6.939949   -1.075464   -0.742042
      6          6           0       -5.681155   -0.496912   -0.431337
      7          6           0       -4.537814   -0.796990   -1.361345
      8          7           0       -3.929115    0.412639   -1.973532
      9          6           0       -4.815814    1.105943   -2.949640
     10          6           0       -3.090352    1.273089   -1.213049
     11          8           0       -2.917864    2.447411   -1.525118
     12          7           0       -2.435453    0.717893   -0.075545
     13          6           0       -1.326014    1.516092    0.497558
     14          6           0       -0.012275    1.214157   -0.254885
     15          8           0        0.240116    0.109526   -0.727767
     16          7           0        0.896873    2.254120   -0.373101
     17          6           0        2.225263    2.039428   -1.009251
     18          6           0        2.691898    3.346440   -1.689082
     19          6           0        2.841034    4.517075   -0.757369
     20          6           0        1.792361    5.439940   -0.619405
     21          6           0        1.925144    6.528648    0.245968
     22          6           0        3.103572    6.707397    0.976986
     23          6           0        4.153379    5.794995    0.833989
     24          6           0        4.026115    4.704441   -0.030302
     25          6           0        3.254837    1.519437    0.014000
     26          6           0        3.006773    0.058998    0.397203
     27          8           0        2.370829    0.045026    1.692232
     28          6           0        4.302190   -0.777114    0.638136
     29          6           0        5.102759   -0.943586   -0.661205
     30          6           0        6.476270   -1.492702   -0.394942
     31          6           0        6.701939   -2.874768   -0.477100
     32          6           0        7.977783   -3.388906   -0.237435
     33          6           0        9.034037   -2.529926    0.085013
     34          6           0        8.809119   -1.152695    0.170653
     35          6           0        7.534250   -0.631750   -0.067415
     36          7           0        3.920538   -2.094081    1.256822
     37          6           0        3.180634   -3.025773    0.494898
     38          8           0        3.267505   -3.308636   -0.682147
     39          8           0        2.307704   -3.712158    1.342657
     40          6           0        1.388256   -4.614609    0.655491
     41          6           0        0.375794   -3.781961   -0.022194
     42          6           0       -0.887437   -3.437668    0.382191
     43          7           0       -1.557476   -2.521950   -0.451296
     44          6           0       -0.803291   -2.148287   -1.469300
     45         16           0        0.777807   -2.921008   -1.478415
     46          6           0       -1.197054    1.184245    2.017485
     47          6           0       -0.862325   -0.292448    2.271198
     48          6           0       -0.174191    2.104700    2.685314
     49          6           0       -5.653636    0.262391    0.703295
     50         16           0       -7.226346    0.278383    1.438096
     51          1           0      -10.583740   -2.533653    1.278758
     52          1           0       -8.864406   -2.914930    1.430224
     53          1           0       -9.543159   -1.523635    2.285127
     54          1           0       -9.447561   -1.835786   -0.800726
     55          1           0      -10.168161    0.626641    0.948227
     56          1           0      -10.004849    0.628842   -0.812603
     57          1           0      -11.273865   -0.328210   -0.040178
     58          1           0       -3.756663   -1.387485   -0.815130
     59          1           0       -4.885974   -1.458277   -2.195987
     60          1           0       -4.948742    0.455202   -3.828689
     61          1           0       -4.347015    2.050812   -3.286067
     62          1           0       -5.806512    1.345535   -2.530635
     63          1           0       -2.277271   -0.305445   -0.045577
     64          1           0       -1.592151    2.607762    0.379346
     65          1           0        0.727831    3.166163    0.048755
     66          1           0        2.083793    1.258984   -1.810272
     67          1           0        1.974959    3.598931   -2.501496
     68          1           0        3.651237    3.154123   -2.214994
     69          1           0        0.876366    5.318915   -1.196537
     70          1           0        1.108123    7.242196    0.347765
     71          1           0        3.204999    7.555508    1.651120
     72          1           0        5.075614    5.935105    1.396721
     73          1           0        4.852374    4.005537   -0.140479
     74          1           0        3.227486    2.135441    0.938151
     75          1           0        4.274790    1.649677   -0.396145
     76          1           0        2.333645   -0.452571   -0.337686
     77          1           0        1.377473    0.001292    1.579668
     78          1           0        4.940479   -0.267590    1.411120
     79          1           0        4.554478   -1.615617   -1.366726
     80          1           0        5.169154    0.029983   -1.187639
     81          1           0        5.873027   -3.543069   -0.719834
     82          1           0        8.149161   -4.462108   -0.300571
     83          1           0       10.026986   -2.932686    0.270116
     84          1           0        9.629114   -0.483428    0.423946
     85          1           0        7.366764    0.439563    0.002297
     86          1           0        3.585135   -1.978429    2.235154
     87          1           0        0.990101   -5.234561    1.482142
     88          1           0        1.976983   -5.242158   -0.045790
     89          1           0       -1.409681   -3.803683    1.260056
     90          1           0       -1.083014   -1.409547   -2.213894
     91          1           0       -2.201856    1.400490    2.465895
     92          1           0       -1.678205   -0.951365    1.935501
     93          1           0        0.038446   -0.622548    1.726979
     94          1           0       -0.693427   -0.489219    3.335906
     95          1           0       -0.203978    1.986595    3.775972
     96          1           0        0.858118    1.878892    2.383586
     97          1           0       -0.367435    3.162147    2.479329
     98          1           0       -4.815997    0.789875    1.131494
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0799959      0.0286991      0.0230603
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3647.6233778668 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.255019494690     A.U. after   19 cycles
             Convg  =    0.6700D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000233868   -0.000023128    0.000125403
      2        6          -0.000044248   -0.000292029   -0.000161556
      3        6          -0.000354304    0.000101479    0.000051392
      4        6           0.000075245    0.000121813    0.000277300
      5        7           0.000333252   -0.000007777   -0.000273562
      6        6          -0.000339639    0.000010289   -0.000301039
      7        6           0.000239110   -0.000766090   -0.000311013
      8        7          -0.000626702    0.000007942    0.000773278
      9        6          -0.000167178    0.000128391    0.000217878
     10        6           0.002071682   -0.001068929    0.000396556
     11        8          -0.001304857    0.000640267    0.000859359
     12        7          -0.000569266   -0.000377662   -0.000805773
     13        6          -0.000755683    0.000315214    0.000874561
     14        6           0.001803487   -0.001174587   -0.000478255
     15        8          -0.000508398    0.002587815    0.000487148
     16        7           0.002014023   -0.000895382    0.001471525
     17        6          -0.000500973   -0.000232182   -0.001460480
     18        6           0.000007712    0.000243714   -0.000319602
     19        6          -0.000087921    0.000376913    0.000178889
     20        6           0.000399647   -0.000012376    0.000009939
     21        6           0.000176525   -0.000186111   -0.000009036
     22        6           0.000128364   -0.000171665    0.000053575
     23        6          -0.000185353   -0.000151338    0.000086314
     24        6          -0.000355360   -0.000175983    0.000101764
     25        6          -0.000903445   -0.000971461   -0.000843430
     26        6          -0.001003371    0.002220226    0.002068251
     27        8           0.001319588   -0.000395326    0.000853564
     28        6           0.001977481    0.002619958    0.003770597
     29        6           0.000466994    0.001794926    0.000401209
     30        6          -0.000268407   -0.000214518   -0.000251209
     31        6          -0.000098816    0.000445898    0.000309971
     32        6          -0.000260146    0.000076793    0.000128249
     33        6          -0.000102303   -0.000013082    0.000065408
     34        6          -0.000181376   -0.000102814    0.000033309
     35        6           0.000081907   -0.000133340   -0.000148266
     36        7           0.002862059    0.007212955   -0.001309537
     37        6          -0.000422465   -0.013211257    0.001432621
     38        8           0.000607056    0.000385816   -0.003620111
     39        8          -0.002915406   -0.003242594    0.000388905
     40        6          -0.000917916    0.002594553   -0.001393739
     41        6           0.003318738   -0.000479555    0.002634916
     42        6          -0.000407961    0.002122433    0.000971554
     43        7           0.000158831   -0.000424302   -0.000728882
     44        6           0.000353961    0.000152459    0.000684369
     45       16          -0.003122972   -0.001553161   -0.001351056
     46        6          -0.001219737    0.001959427    0.000188821
     47        6           0.003187709   -0.000692473   -0.002915102
     48        6          -0.000287945    0.000621854   -0.000104536
     49        6          -0.000301053    0.000286342    0.000504734
     50       16           0.000129386   -0.000011010   -0.000361138
     51        1           0.000099799   -0.000043065    0.000014491
     52        1           0.000174422    0.000037033   -0.000078076
     53        1           0.000014955   -0.000053611    0.000065335
     54        1          -0.000132994    0.000154821   -0.000109131
     55        1           0.000006260   -0.000063181    0.000034936
     56        1          -0.000096164   -0.000049299    0.000030884
     57        1           0.000096878    0.000046008    0.000018500
     58        1          -0.000075956    0.000312206   -0.000557501
     59        1          -0.000256126    0.000092138    0.000166031
     60        1          -0.000028638    0.000186917    0.000022423
     61        1           0.000053079   -0.000034552   -0.000034240
     62        1          -0.000048080   -0.000057745    0.000061158
     63        1           0.001268900   -0.001467701   -0.000985798
     64        1          -0.000309460   -0.000072326    0.000345077
     65        1          -0.000254752    0.000414790    0.000661815
     66        1          -0.001017314    0.001046348   -0.000597521
     67        1           0.000099776    0.000255295   -0.000318086
     68        1           0.000130527    0.000090435    0.000099844
     69        1           0.000081862    0.000078013   -0.000045541
     70        1           0.000020235   -0.000009941   -0.000037735
     71        1          -0.000005278   -0.000013244   -0.000029374
     72        1           0.000010802   -0.000008835   -0.000005968
     73        1          -0.000010690    0.000005562    0.000009516
     74        1          -0.000073551   -0.000878240   -0.000002891
     75        1          -0.000216579   -0.000218688    0.000105128
     76        1          -0.000688159   -0.000304341   -0.000070249
     77        1          -0.001528882   -0.000230760    0.000717279
     78        1           0.000585123   -0.000134749    0.000326427
     79        1           0.000171694    0.000086116    0.000060447
     80        1          -0.000090537   -0.000189005   -0.000174711
     81        1          -0.000098208   -0.000025056   -0.000007284
     82        1          -0.000092760    0.000023700    0.000024766
     83        1          -0.000028345    0.000029750    0.000016240
     84        1           0.000019114   -0.000005318   -0.000020270
     85        1          -0.000034181   -0.000016408    0.000003035
     86        1          -0.001139203    0.001594586   -0.003325438
     87        1           0.000209899   -0.001687765   -0.000457226
     88        1           0.000176785    0.001509492    0.000845148
     89        1           0.000363554    0.000031630   -0.000158039
     90        1          -0.000003453    0.000456673   -0.000563623
     91        1           0.000454718    0.000707552    0.000827420
     92        1          -0.000598174   -0.001143153    0.000627992
     93        1          -0.000455202   -0.000245998   -0.000293495
     94        1           0.000541813    0.000148477   -0.000187733
     95        1           0.000007354   -0.000283564    0.000446956
     96        1          -0.000503167   -0.000032025   -0.000332422
     97        1          -0.000142824    0.000081334   -0.000274543
     98        1           0.000075439   -0.000167653   -0.000117988
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.013211257 RMS     0.001260290

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.013483814 RMS     0.001278492
 Search for a local minimum.
 Step number  49 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   48   49
 DE= -1.94D-03 DEPred=-1.49D-03 R= 1.30D+00
 SS=  1.41D+00  RLast= 6.24D-01 DXNew= 1.0528D+00 1.8707D+00
 Trust test= 1.30D+00 RLast= 6.24D-01 DXMaxT set to 1.05D+00
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00063   0.00148   0.00173   0.00246   0.00289
     Eigenvalues ---    0.00350   0.00378   0.00474   0.00576   0.00610
     Eigenvalues ---    0.00729   0.00753   0.00870   0.00936   0.00941
     Eigenvalues ---    0.00977   0.01073   0.01166   0.01217   0.01271
     Eigenvalues ---    0.01308   0.01361   0.01380   0.01418   0.01447
     Eigenvalues ---    0.01469   0.01520   0.01587   0.01635   0.01749
     Eigenvalues ---    0.01758   0.01861   0.01927   0.02069   0.02120
     Eigenvalues ---    0.02194   0.02203   0.02204   0.02220   0.02257
     Eigenvalues ---    0.02268   0.02288   0.02303   0.02330   0.02372
     Eigenvalues ---    0.02404   0.02408   0.02414   0.02448   0.02482
     Eigenvalues ---    0.02485   0.02527   0.02528   0.02638   0.02658
     Eigenvalues ---    0.02699   0.02744   0.03030   0.03173   0.03412
     Eigenvalues ---    0.03791   0.04014   0.04043   0.04152   0.04199
     Eigenvalues ---    0.04363   0.04537   0.04699   0.04859   0.04951
     Eigenvalues ---    0.05055   0.05143   0.05195   0.05227   0.05333
     Eigenvalues ---    0.05403   0.05441   0.05467   0.05506   0.05580
     Eigenvalues ---    0.05637   0.05716   0.05741   0.05769   0.05814
     Eigenvalues ---    0.05856   0.05911   0.05961   0.05991   0.06088
     Eigenvalues ---    0.06327   0.06555   0.06666   0.06877   0.07067
     Eigenvalues ---    0.07516   0.07702   0.08178   0.08409   0.08684
     Eigenvalues ---    0.08858   0.09390   0.09729   0.09898   0.10337
     Eigenvalues ---    0.11882   0.12885   0.13148   0.13332   0.13441
     Eigenvalues ---    0.13801   0.13824   0.14063   0.14639   0.15518
     Eigenvalues ---    0.15667   0.15779   0.15948   0.15973   0.15978
     Eigenvalues ---    0.15985   0.15991   0.15996   0.15998   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16003   0.16003   0.16010
     Eigenvalues ---    0.16020   0.16028   0.16032   0.16063   0.16081
     Eigenvalues ---    0.16123   0.16191   0.16252   0.16823   0.16921
     Eigenvalues ---    0.17396   0.17692   0.17989   0.18418   0.18612
     Eigenvalues ---    0.18960   0.19215   0.19443   0.20502   0.21276
     Eigenvalues ---    0.21714   0.21901   0.21994   0.22000   0.22001
     Eigenvalues ---    0.22005   0.22130   0.22205   0.22437   0.23114
     Eigenvalues ---    0.23391   0.23483   0.23518   0.23666   0.23887
     Eigenvalues ---    0.24088   0.24267   0.24648   0.24675   0.24795
     Eigenvalues ---    0.25000   0.25059   0.25064   0.25256   0.25583
     Eigenvalues ---    0.26123   0.27133   0.28033   0.29251   0.29467
     Eigenvalues ---    0.29793   0.29859   0.29915   0.30123   0.30230
     Eigenvalues ---    0.30416   0.30641   0.30742   0.30954   0.31319
     Eigenvalues ---    0.31413   0.31428   0.31497   0.31577   0.31645
     Eigenvalues ---    0.31755   0.31991   0.32032   0.32115   0.32342
     Eigenvalues ---    0.32513   0.32577   0.32625   0.32763   0.32800
     Eigenvalues ---    0.32823   0.32861   0.32918   0.32997   0.33048
     Eigenvalues ---    0.33069   0.33138   0.33212   0.33291   0.33498
     Eigenvalues ---    0.33565   0.33623   0.33670   0.33685   0.33739
     Eigenvalues ---    0.33905   0.33966   0.33999   0.34127   0.34194
     Eigenvalues ---    0.34242   0.34365   0.34381   0.34465   0.34494
     Eigenvalues ---    0.34584   0.34724   0.35225   0.35611   0.36247
     Eigenvalues ---    0.36311   0.36356   0.36378   0.36632   0.36826
     Eigenvalues ---    0.36950   0.37131   0.38188   0.38810   0.39481
     Eigenvalues ---    0.40075   0.40281   0.41173   0.42061   0.42479
     Eigenvalues ---    0.42867   0.43278   0.43766   0.44227   0.44675
     Eigenvalues ---    0.45043   0.45202   0.46207   0.47504   0.48204
     Eigenvalues ---    0.48373   0.48545   0.48632   0.48859   0.49120
     Eigenvalues ---    0.49406   0.50046   0.50432   0.50968   0.51241
     Eigenvalues ---    0.51398   0.56199   0.57907   0.59261   0.62027
     Eigenvalues ---    0.64816   0.66232   0.75344   0.78960   0.82123
     Eigenvalues ---    0.89824   1.05563   1.972561000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-2.51384487D-03 EMin= 6.31037770D-04
 Quartic linear search produced a step of  0.26578.
 Iteration  1 RMS(Cart)=  0.08809915 RMS(Int)=  0.00270761
 Iteration  2 RMS(Cart)=  0.00573553 RMS(Int)=  0.00003973
 Iteration  3 RMS(Cart)=  0.00002555 RMS(Int)=  0.00003833
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003833
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89475   0.00012   0.00018   0.00167   0.00185   2.89660
    R2        2.07157   0.00004  -0.00007  -0.00018  -0.00025   2.07132
    R3        2.07469  -0.00017  -0.00004  -0.00122  -0.00126   2.07344
    R4        2.07160   0.00008   0.00009   0.00096   0.00105   2.07265
    R5        2.89496  -0.00036  -0.00012  -0.00118  -0.00130   2.89366
    R6        2.82881  -0.00048   0.00008  -0.00041  -0.00033   2.82848
    R7        2.13050   0.00021   0.00002   0.00123   0.00125   2.13174
    R8        2.07167   0.00007   0.00006   0.00105   0.00110   2.07277
    R9        2.07340  -0.00001  -0.00007  -0.00073  -0.00079   2.07261
   R10        2.07180   0.00011   0.00001   0.00041   0.00042   2.07223
   R11        2.47812  -0.00015  -0.00030  -0.00131  -0.00161   2.47651
   R12        3.37407  -0.00011   0.00056   0.00133   0.00189   3.37596
   R13        2.68303   0.00004   0.00055   0.00441   0.00497   2.68799
   R14        2.84226  -0.00057   0.00010   0.00028   0.00039   2.84264
   R15        2.58049  -0.00004  -0.00022  -0.00048  -0.00070   2.57979
   R16        2.80832  -0.00107   0.00080   0.00251   0.00331   2.81163
   R17        2.11888  -0.00034   0.00098   0.00539   0.00638   2.12526
   R18        2.11712   0.00005  -0.00023  -0.00061  -0.00084   2.11628
   R19        2.81543  -0.00028   0.00003  -0.00127  -0.00123   2.81420
   R20        2.68729  -0.00046   0.00019   0.00141   0.00160   2.68889
   R21        2.08201   0.00017  -0.00010  -0.00036  -0.00046   2.08155
   R22        2.09217   0.00004  -0.00023  -0.00085  -0.00108   2.09109
   R23        2.08252  -0.00003   0.00003   0.00007   0.00010   2.08261
   R24        2.31919  -0.00126   0.00050   0.00078   0.00128   2.32047
   R25        2.69314  -0.00155   0.00047  -0.00080  -0.00032   2.69282
   R26        2.80064  -0.00208   0.00160   0.00681   0.00841   2.80905
   R27        1.95761  -0.00215   0.00106  -0.00208  -0.00101   1.95660
   R28        2.91732  -0.00038   0.00018   0.00055   0.00074   2.91805
   R29        2.94999  -0.00230   0.00154   0.00270   0.00423   2.95422
   R30        2.13509  -0.00033   0.00007   0.00060   0.00067   2.13576
   R31        2.32023   0.00247   0.00062   0.00403   0.00464   2.32488
   R32        2.61988   0.00014  -0.00025  -0.00118  -0.00143   2.61844
   R33        2.81271   0.00315  -0.00011   0.00043   0.00031   2.81302
   R34        1.92563  -0.00056   0.00035  -0.00096  -0.00062   1.92501
   R35        2.92034   0.00000   0.00027   0.00272   0.00299   2.92333
   R36        2.91377   0.00257  -0.00081  -0.00202  -0.00283   2.91094
   R37        2.13024   0.00135  -0.00081  -0.00111  -0.00192   2.12831
   R38        2.84133   0.00033  -0.00023  -0.00087  -0.00110   2.84023
   R39        2.10242   0.00039  -0.00007   0.00099   0.00093   2.10334
   R40        2.09913  -0.00015   0.00010  -0.00054  -0.00044   2.09869
   R41        2.65265   0.00058  -0.00020   0.00009  -0.00012   2.65253
   R42        2.65111   0.00051  -0.00007   0.00059   0.00052   2.65163
   R43        2.64007   0.00032   0.00001   0.00038   0.00040   2.64046
   R44        2.05865   0.00012  -0.00012  -0.00012  -0.00024   2.05842
   R45        2.64226   0.00018  -0.00015  -0.00025  -0.00040   2.64186
   R46        2.05888   0.00003   0.00001   0.00035   0.00037   2.05924
   R47        2.64225   0.00026  -0.00002   0.00010   0.00008   2.64233
   R48        2.05628   0.00001   0.00003   0.00007   0.00010   2.05637
   R49        2.64055   0.00025  -0.00012  -0.00028  -0.00040   2.64015
   R50        2.05869   0.00000   0.00003   0.00009   0.00012   2.05881
   R51        2.05564   0.00001  -0.00001  -0.00026  -0.00027   2.05537
   R52        2.89150   0.00235  -0.00082  -0.00179  -0.00261   2.88890
   R53        2.09944   0.00072   0.00024   0.00138   0.00162   2.10106
   R54        2.09196   0.00019   0.00020   0.00264   0.00285   2.09480
   R55        2.72653   0.00131  -0.00006   0.00261   0.00255   2.72908
   R56        2.94897  -0.00161  -0.00038  -0.00509  -0.00548   2.94349
   R57        2.11689  -0.00047  -0.00002  -0.00413  -0.00415   2.11274
   R58        1.89099  -0.00147  -0.00024  -0.00721  -0.00744   1.88355
   R59        2.90115   0.00062  -0.00025   0.00261   0.00236   2.90352
   R60        2.84266  -0.00747   0.00247  -0.00144   0.00103   2.84369
   R61        2.12502   0.00006  -0.00009   0.00015   0.00006   2.12508
   R62        2.84022   0.00104  -0.00071  -0.00190  -0.00262   2.83761
   R63        2.11278   0.00010   0.00023   0.00045   0.00068   2.11345
   R64        2.09528   0.00022  -0.00027   0.00051   0.00023   2.09551
   R65        2.65086   0.00082  -0.00016   0.00000  -0.00016   2.65071
   R66        2.65090   0.00026  -0.00022  -0.00070  -0.00092   2.64998
   R67        2.63856   0.00039  -0.00013   0.00013   0.00001   2.63856
   R68        2.06373  -0.00007  -0.00022  -0.00221  -0.00243   2.06130
   R69        2.64392   0.00007   0.00000  -0.00020  -0.00019   2.64373
   R70        2.05722   0.00007   0.00002   0.00050   0.00051   2.05773
   R71        2.64203   0.00016  -0.00007   0.00015   0.00008   2.64211
   R72        2.05488   0.00003   0.00002   0.00020   0.00022   2.05510
   R73        2.64112   0.00030   0.00001   0.00066   0.00067   2.64180
   R74        2.05665   0.00000   0.00000   0.00008   0.00009   2.05674
   R75        2.05331  -0.00001  -0.00002  -0.00019  -0.00022   2.05309
   R76        2.66982  -0.01348   0.00378  -0.00863  -0.00486   2.66497
   R77        1.96659  -0.00377   0.00138  -0.00628  -0.00491   1.96169
   R78        2.29350   0.00259   0.00019   0.00398   0.00417   2.29767
   R79        2.64009  -0.00084  -0.00004   0.00232   0.00228   2.64237
   R80        2.75926   0.00262   0.00047   0.00753   0.00801   2.76727
   R81        2.78863  -0.00044  -0.00107  -0.00425  -0.00531   2.78332
   R82        2.09259  -0.00067  -0.00033  -0.00154  -0.00187   2.09071
   R83        2.09769   0.00051   0.00001  -0.00005  -0.00004   2.09765
   R84        2.58956  -0.00018  -0.00076  -0.00429  -0.00510   2.58446
   R85        3.28586   0.00136   0.00056   0.00727   0.00780   3.29366
   R86        2.66055   0.00083   0.00005   0.00420   0.00423   2.66478
   R87        2.05046   0.00002  -0.00019  -0.00104  -0.00123   2.04923
   R88        2.49612   0.00039   0.00044  -0.00028   0.00020   2.49632
   R89        3.32562   0.00049   0.00055   0.00732   0.00792   3.33354
   R90        2.05138   0.00049   0.00097   0.00599   0.00695   2.05833
   R91        2.90123  -0.00424   0.00203   0.00246   0.00449   2.90572
   R92        2.89040  -0.00004  -0.00052  -0.00056  -0.00108   2.88933
   R93        2.11907   0.00065  -0.00035   0.00020  -0.00014   2.11893
   R94        2.08087  -0.00121   0.00069  -0.00054   0.00015   2.08101
   R95        2.08430   0.00047  -0.00022   0.00032   0.00010   2.08440
   R96        2.07082  -0.00027  -0.00029  -0.00083  -0.00113   2.06970
   R97        2.07386   0.00052   0.00003   0.00093   0.00096   2.07482
   R98        2.07672   0.00056  -0.00034   0.00016  -0.00018   2.07654
   R99        2.06834   0.00007  -0.00005  -0.00010  -0.00015   2.06819
   R100       3.28052  -0.00011   0.00060   0.00269   0.00329   3.28381
   R101       2.03813   0.00011  -0.00011  -0.00038  -0.00049   2.03764
    A1        1.93508  -0.00002  -0.00009  -0.00057  -0.00067   1.93441
    A2        1.94487   0.00001   0.00010   0.00086   0.00096   1.94583
    A3        1.96005   0.00005  -0.00006   0.00109   0.00103   1.96108
    A4        1.87342   0.00000   0.00006   0.00126   0.00133   1.87474
    A5        1.87166  -0.00005  -0.00002  -0.00240  -0.00242   1.86924
    A6        1.87464   0.00000   0.00002  -0.00035  -0.00032   1.87431
    A7        1.95145   0.00002  -0.00007  -0.00051  -0.00058   1.95087
    A8        1.92337   0.00016  -0.00029   0.00124   0.00095   1.92432
    A9        1.88856  -0.00001  -0.00021  -0.00185  -0.00206   1.88650
   A10        1.93054  -0.00026   0.00081   0.00196   0.00277   1.93331
   A11        1.88838   0.00007  -0.00019  -0.00034  -0.00053   1.88785
   A12        1.87926   0.00001  -0.00006  -0.00065  -0.00071   1.87855
   A13        1.96186  -0.00002   0.00027   0.00136   0.00164   1.96350
   A14        1.94565  -0.00011   0.00008   0.00030   0.00038   1.94603
   A15        1.93366   0.00006  -0.00012   0.00039   0.00027   1.93393
   A16        1.87541   0.00003  -0.00003  -0.00078  -0.00081   1.87461
   A17        1.86952  -0.00001  -0.00030  -0.00300  -0.00329   1.86623
   A18        1.87349   0.00005   0.00007   0.00159   0.00166   1.87516
   A19        2.20921   0.00000   0.00030   0.00057   0.00087   2.21008
   A20        2.11779  -0.00012  -0.00032  -0.00154  -0.00185   2.11593
   A21        1.95617   0.00012   0.00001   0.00096   0.00096   1.95713
   A22        1.96149  -0.00013   0.00028   0.00095   0.00122   1.96271
   A23        2.04582   0.00014   0.00038   0.00108   0.00146   2.04727
   A24        2.01118   0.00005  -0.00034  -0.00276  -0.00309   2.00808
   A25        2.22609  -0.00019  -0.00004   0.00170   0.00165   2.22775
   A26        1.98634  -0.00023  -0.00082  -0.00379  -0.00462   1.98172
   A27        1.91075   0.00035   0.00018   0.00537   0.00554   1.91629
   A28        1.92004   0.00021   0.00070   0.00228   0.00298   1.92302
   A29        1.92195  -0.00014   0.00109   0.00617   0.00726   1.92921
   A30        1.87637   0.00008  -0.00024  -0.00063  -0.00087   1.87550
   A31        1.84270  -0.00027  -0.00092  -0.01001  -0.01093   1.83177
   A32        1.98766  -0.00016   0.00008   0.00612   0.00617   1.99383
   A33        2.11041  -0.00005  -0.00081   0.00428   0.00343   2.11384
   A34        2.00406   0.00028  -0.00121  -0.00029  -0.00155   2.00251
   A35        1.89619  -0.00006  -0.00048  -0.00138  -0.00186   1.89433
   A36        1.92221   0.00011   0.00020   0.00113   0.00133   1.92354
   A37        1.96828  -0.00015   0.00013  -0.00099  -0.00086   1.96743
   A38        1.88885   0.00005   0.00052   0.00377   0.00429   1.89314
   A39        1.90002   0.00006   0.00001   0.00112   0.00112   1.90114
   A40        1.88667  -0.00001  -0.00036  -0.00341  -0.00376   1.88291
   A41        2.12456   0.00109  -0.00003   0.00100   0.00094   2.12550
   A42        2.05123  -0.00092  -0.00022  -0.00449  -0.00475   2.04648
   A43        2.10731  -0.00018   0.00032   0.00362   0.00390   2.11120
   A44        2.02955   0.00003   0.00033   0.00922   0.00954   2.03910
   A45        2.06928  -0.00003  -0.00114  -0.00488  -0.00603   2.06325
   A46        1.98947  -0.00018   0.00040  -0.00066  -0.00026   1.98921
   A47        1.92115   0.00018   0.00199   0.00476   0.00673   1.92787
   A48        1.90060  -0.00012   0.00096   0.00861   0.00954   1.91015
   A49        1.87926  -0.00005  -0.00078   0.00032  -0.00043   1.87883
   A50        1.94194   0.00061  -0.00041  -0.00060  -0.00110   1.94084
   A51        1.91605  -0.00053  -0.00157  -0.00950  -0.01108   1.90496
   A52        1.90363  -0.00011  -0.00018  -0.00349  -0.00371   1.89992
   A53        2.13958   0.00164  -0.00013   0.00242   0.00216   2.14174
   A54        2.04082  -0.00545   0.00138  -0.00550  -0.00425   2.03657
   A55        2.10276   0.00382  -0.00122   0.00325   0.00190   2.10466
   A56        2.11007   0.00768  -0.00126   0.00031  -0.00095   2.10911
   A57        2.12622  -0.00397   0.00053  -0.00093  -0.00040   2.12583
   A58        2.04215  -0.00355   0.00076   0.00031   0.00107   2.04322
   A59        1.91295  -0.00269   0.00032   0.00105   0.00136   1.91431
   A60        1.94008   0.00342   0.00081  -0.00108  -0.00026   1.93982
   A61        1.86666   0.00059  -0.00151  -0.00143  -0.00294   1.86371
   A62        1.95577  -0.00187  -0.00048  -0.00095  -0.00142   1.95435
   A63        1.88687   0.00041   0.00045   0.00201   0.00246   1.88934
   A64        1.89851   0.00021   0.00034   0.00045   0.00080   1.89931
   A65        1.99965  -0.00056   0.00067   0.00087   0.00154   2.00119
   A66        1.89504   0.00014  -0.00039  -0.00189  -0.00228   1.89277
   A67        1.89930   0.00009   0.00010   0.00040   0.00050   1.89980
   A68        1.91742   0.00023  -0.00018   0.00048   0.00030   1.91771
   A69        1.92039   0.00025  -0.00015   0.00118   0.00103   1.92142
   A70        1.82358  -0.00011  -0.00013  -0.00127  -0.00140   1.82218
   A71        2.09286   0.00011  -0.00015   0.00032   0.00017   2.09303
   A72        2.10472   0.00003   0.00007  -0.00061  -0.00055   2.10418
   A73        2.08556  -0.00014   0.00008   0.00029   0.00037   2.08593
   A74        2.09695   0.00000  -0.00005  -0.00046  -0.00051   2.09643
   A75        2.09792   0.00000   0.00013   0.00022   0.00035   2.09827
   A76        2.08822  -0.00001  -0.00007   0.00025   0.00017   2.08840
   A77        2.09853   0.00003   0.00001   0.00023   0.00024   2.09877
   A78        2.09090  -0.00002  -0.00002  -0.00022  -0.00024   2.09066
   A79        2.09375  -0.00001   0.00002  -0.00002   0.00000   2.09375
   A80        2.08967   0.00005   0.00000   0.00007   0.00007   2.08974
   A81        2.09683  -0.00003   0.00008   0.00049   0.00057   2.09740
   A82        2.09668  -0.00002  -0.00008  -0.00056  -0.00064   2.09604
   A83        2.09921   0.00004   0.00000   0.00008   0.00008   2.09929
   A84        2.09307  -0.00003   0.00002   0.00036   0.00038   2.09344
   A85        2.09091  -0.00001  -0.00002  -0.00044  -0.00046   2.09045
   A86        2.09639   0.00002  -0.00004  -0.00021  -0.00025   2.09615
   A87        2.09825  -0.00001   0.00002  -0.00027  -0.00024   2.09800
   A88        2.08853  -0.00001   0.00002   0.00047   0.00049   2.08902
   A89        1.96041   0.00661   0.00119  -0.00317  -0.00198   1.95843
   A90        1.92688  -0.00200  -0.00033   0.00324   0.00292   1.92979
   A91        1.90675  -0.00190  -0.00028  -0.00254  -0.00283   1.90392
   A92        1.89326  -0.00102  -0.00144  -0.00043  -0.00186   1.89140
   A93        1.93312  -0.00292   0.00059   0.00141   0.00200   1.93512
   A94        1.83967   0.00083   0.00019   0.00188   0.00208   1.84174
   A95        1.88125   0.00203  -0.00186  -0.00801  -0.00985   1.87140
   A96        1.99926  -0.00450  -0.00018  -0.00910  -0.00927   1.98999
   A97        1.94873   0.00132   0.00147   0.00212   0.00360   1.95232
   A98        1.79478   0.00017   0.00024   0.00960   0.00977   1.80455
   A99        1.89606  -0.00038  -0.00016   0.00608   0.00590   1.90196
   A100       1.93416   0.00144   0.00029   0.00038   0.00064   1.93479
   A101       1.91453   0.00062   0.00113   0.00941   0.01053   1.92506
   A102       1.93939   0.00032  -0.00119  -0.00751  -0.00866   1.93073
   A103       1.89860   0.00269   0.00277   0.01250   0.01516   1.91376
   A104       1.91192  -0.00144  -0.00007   0.00026   0.00014   1.91206
   A105       1.96651  -0.00305  -0.00100  -0.01547  -0.01642   1.95009
   A106       1.91232   0.00134   0.00013   0.00635   0.00649   1.91881
   A107       1.83173   0.00011  -0.00056   0.00487   0.00428   1.83601
   A108       1.94575   0.00045  -0.00047  -0.00064  -0.00113   1.94462
   A109       1.92147  -0.00031  -0.00082  -0.00335  -0.00419   1.91728
   A110       1.91543  -0.00001   0.00102   0.00399   0.00500   1.92043
   A111       1.91807  -0.00003  -0.00066  -0.00186  -0.00254   1.91553
   A112       1.92857  -0.00022   0.00129   0.00328   0.00456   1.93313
   A113       1.83128   0.00011  -0.00032  -0.00146  -0.00177   1.82950
   A114       2.09047   0.00030  -0.00102  -0.00439  -0.00541   2.08506
   A115       2.10175  -0.00003   0.00067   0.00285   0.00352   2.10527
   A116       2.09096  -0.00026   0.00035   0.00154   0.00189   2.09285
   A117       2.09409   0.00006  -0.00019  -0.00089  -0.00108   2.09301
   A118       2.08728   0.00004  -0.00015  -0.00001  -0.00016   2.08713
   A119       2.10177  -0.00010   0.00033   0.00091   0.00123   2.10301
   A120       2.09824  -0.00001  -0.00001   0.00006   0.00005   2.09830
   A121       2.09082   0.00007  -0.00006  -0.00037  -0.00043   2.09039
   A122       2.09413  -0.00006   0.00006   0.00031   0.00037   2.09450
   A123       2.09145   0.00003   0.00007   0.00027   0.00034   2.09179
   A124       2.09579  -0.00005  -0.00001  -0.00003  -0.00004   2.09575
   A125       2.09594   0.00002  -0.00006  -0.00023  -0.00029   2.09565
   A126       2.09842   0.00012  -0.00002   0.00010   0.00007   2.09850
   A127       2.09303  -0.00003   0.00000   0.00013   0.00013   2.09315
   A128       2.09174  -0.00008   0.00003  -0.00023  -0.00020   2.09154
   A129       2.09320   0.00007  -0.00020  -0.00108  -0.00128   2.09191
   A130       2.09885   0.00000   0.00014   0.00172   0.00186   2.10071
   A131       2.09114  -0.00007   0.00006  -0.00064  -0.00058   2.09056
   A132       2.08107  -0.00224   0.00077  -0.00703  -0.00628   2.07479
   A133       1.95101   0.00096   0.00054   0.01143   0.01195   1.96297
   A134       1.99488   0.00139  -0.00122   0.00604   0.00479   1.99967
   A135       2.26430  -0.00143  -0.00049  -0.00147  -0.00197   2.26233
   A136       1.90072  -0.00032   0.00246   0.00478   0.00722   1.90794
   A137       2.11614   0.00168  -0.00192  -0.00295  -0.00488   2.11127
   A138       1.99493  -0.00084  -0.00400  -0.01629  -0.02029   1.97464
   A139       1.87488   0.00182  -0.00235  -0.00827  -0.01069   1.86420
   A140       1.79375  -0.00102   0.00258   0.00403   0.00666   1.80041
   A141       1.88889  -0.00014  -0.00202  -0.00567  -0.00782   1.88107
   A142       1.99548   0.00111   0.00222   0.01068   0.01292   2.00839
   A143       1.97441  -0.00178  -0.00090  -0.00546  -0.00648   1.96793
   A144       1.92389   0.00011   0.00045   0.00414   0.00460   1.92849
   A145       2.26363   0.00445   0.00044   0.01469   0.01506   2.27869
   A146       2.10059  -0.00569  -0.00173  -0.02200  -0.02376   2.07684
   A147       1.91332   0.00128   0.00066   0.00647   0.00703   1.92036
   A148       2.01244  -0.00118  -0.00031  -0.00474  -0.00507   2.00737
   A149       2.21141   0.00100   0.00040   0.00664   0.00703   2.21844
   A150       2.05930   0.00019  -0.00010  -0.00196  -0.00207   2.05723
   A151       1.94821   0.00041   0.00019   0.00285   0.00315   1.95136
   A152       1.97442   0.00044  -0.00008   0.00074   0.00044   1.97486
   A153       2.18220   0.00000  -0.00046  -0.00036  -0.00122   2.18098
   A154       2.12559  -0.00043   0.00029  -0.00182  -0.00194   2.12364
   A155       1.57615  -0.00095  -0.00049  -0.00538  -0.00576   1.57039
   A156       1.96425   0.00036   0.00159   0.00749   0.00908   1.97333
   A157       1.93097  -0.00071   0.00047  -0.00197  -0.00150   1.92947
   A158       1.84868   0.00028  -0.00099   0.00046  -0.00054   1.84815
   A159       1.94000   0.00005  -0.00016  -0.00366  -0.00383   1.93616
   A160       1.89101  -0.00060   0.00046  -0.00060  -0.00016   1.89084
   A161       1.88450   0.00065  -0.00154  -0.00186  -0.00340   1.88110
   A162       1.94297   0.00088   0.00012   0.00971   0.00981   1.95278
   A163       1.96534  -0.00038   0.00136   0.00548   0.00683   1.97217
   A164       1.94645  -0.00050  -0.00006  -0.00229  -0.00236   1.94409
   A165       1.85001   0.00007  -0.00191  -0.01021  -0.01213   1.83788
   A166       1.87859  -0.00046   0.00173   0.00045   0.00217   1.88076
   A167       1.87527   0.00039  -0.00133  -0.00408  -0.00540   1.86986
   A168       1.92945   0.00022  -0.00064  -0.00129  -0.00193   1.92751
   A169       1.96563  -0.00006   0.00027   0.00065   0.00092   1.96656
   A170       1.96185  -0.00013   0.00005  -0.00094  -0.00089   1.96096
   A171       1.85068   0.00001  -0.00031  -0.00241  -0.00272   1.84796
   A172       1.86107   0.00007  -0.00011   0.00251   0.00240   1.86347
   A173       1.88883  -0.00010   0.00073   0.00154   0.00226   1.89109
   A174       1.91619  -0.00003   0.00032   0.00229   0.00260   1.91879
   A175       2.23634   0.00009   0.00050   0.00385   0.00434   2.24068
   A176       2.13064  -0.00006  -0.00081  -0.00610  -0.00692   2.12371
   A177       1.57975  -0.00002  -0.00027  -0.00143  -0.00170   1.57805
    D1        1.12336   0.00004   0.00211  -0.01837  -0.01626   1.10710
    D2       -3.00515  -0.00015   0.00289  -0.01530  -0.01242  -3.01756
    D3       -0.95459  -0.00005   0.00252  -0.01647  -0.01394  -0.96853
    D4       -3.07427   0.00004   0.00219  -0.01659  -0.01440  -3.08867
    D5       -0.91959  -0.00016   0.00297  -0.01352  -0.01055  -0.93014
    D6        1.13097  -0.00006   0.00261  -0.01469  -0.01208   1.11889
    D7       -0.97012   0.00008   0.00224  -0.01566  -0.01342  -0.98353
    D8        1.18456  -0.00011   0.00302  -0.01259  -0.00957   1.17499
    D9       -3.04806  -0.00002   0.00266  -0.01376  -0.01110  -3.05916
   D10        1.01723   0.00001   0.00162  -0.00744  -0.00582   1.01141
   D11        3.12420  -0.00005   0.00183  -0.00728  -0.00544   3.11876
   D12       -1.07376  -0.00001   0.00189  -0.00481  -0.00292  -1.07667
   D13       -1.13339  -0.00003   0.00146  -0.01010  -0.00865  -1.14204
   D14        0.97358  -0.00009   0.00167  -0.00994  -0.00827   0.96531
   D15        3.05880  -0.00005   0.00174  -0.00748  -0.00574   3.05306
   D16        3.09528   0.00006   0.00119  -0.01023  -0.00905   3.08624
   D17       -1.08093   0.00000   0.00140  -0.01007  -0.00867  -1.08960
   D18        1.00430   0.00004   0.00147  -0.00761  -0.00614   0.99816
   D19        2.02426   0.00013  -0.00359   0.01464   0.01105   2.03531
   D20       -1.11038  -0.00003  -0.00268   0.01739   0.01470  -1.09568
   D21       -2.09212   0.00010  -0.00331   0.01624   0.01292  -2.07920
   D22        1.05642  -0.00006  -0.00241   0.01898   0.01658   1.07300
   D23       -0.03204   0.00004  -0.00313   0.01655   0.01341  -0.01863
   D24        3.11650  -0.00011  -0.00223   0.01929   0.01707   3.13357
   D25       -3.13413  -0.00002  -0.00009  -0.00254  -0.00263  -3.13677
   D26        0.00105   0.00013  -0.00093  -0.00508  -0.00601  -0.00496
   D27        3.13575  -0.00004   0.00006   0.00168   0.00175   3.13749
   D28        0.00018  -0.00018   0.00085   0.00407   0.00491   0.00509
   D29        3.12541   0.00005   0.00028   0.00540   0.00569   3.13110
   D30       -0.00223   0.00002   0.00056   0.00383   0.00439   0.00216
   D31        2.11331  -0.00004  -0.00664  -0.02355  -0.03020   2.08311
   D32       -2.01089  -0.00012  -0.00566  -0.01410  -0.01976  -2.03065
   D33        0.00659  -0.00013  -0.00628  -0.02180  -0.02808  -0.02150
   D34       -1.04421   0.00001  -0.00696  -0.02180  -0.02876  -1.07296
   D35        1.11478  -0.00008  -0.00598  -0.01235  -0.01832   1.09646
   D36        3.13226  -0.00009  -0.00660  -0.02005  -0.02664   3.10562
   D37        0.00229  -0.00015   0.00010  -0.00063  -0.00053   0.00176
   D38        3.13768   0.00013   0.00085   0.00593   0.00679  -3.13871
   D39       -3.12365  -0.00019   0.00041  -0.00238  -0.00198  -3.12563
   D40        0.01173   0.00008   0.00115   0.00418   0.00535   0.01708
   D41       -1.19940  -0.00026  -0.00090  -0.01794  -0.01886  -1.21825
   D42        1.29937  -0.00004  -0.00438  -0.00218  -0.00655   1.29282
   D43        2.93089  -0.00044  -0.00138  -0.02697  -0.02837   2.90252
   D44       -0.85353  -0.00021  -0.00486  -0.01121  -0.01606  -0.86959
   D45        0.93162  -0.00009  -0.00072  -0.01795  -0.01868   0.91294
   D46       -2.85280   0.00014  -0.00419  -0.00220  -0.00637  -2.85917
   D47       -1.17886   0.00012  -0.00320   0.02029   0.01709  -1.16176
   D48        3.03833   0.00003  -0.00366   0.01588   0.01223   3.05055
   D49        0.92912   0.00006  -0.00343   0.02011   0.01667   0.94579
   D50        2.56516   0.00002  -0.00006   0.00397   0.00392   2.56908
   D51        0.49916  -0.00007  -0.00051  -0.00044  -0.00095   0.49821
   D52       -1.61005  -0.00003  -0.00029   0.00379   0.00350  -1.60655
   D53       -2.73763  -0.00098   0.00733  -0.01251  -0.00519  -2.74282
   D54        0.41850   0.00005   0.00385  -0.02267  -0.01881   0.39969
   D55       -0.24446  -0.00091   0.00425   0.00558   0.00982  -0.23464
   D56        2.91167   0.00012   0.00078  -0.00458  -0.00380   2.90787
   D57        2.88743  -0.00114   0.00297  -0.01685  -0.01389   2.87355
   D58        0.41377  -0.00082   0.00342  -0.02223  -0.01880   0.39497
   D59       -0.23977  -0.00013  -0.00047  -0.02688  -0.02736  -0.26714
   D60       -2.71343   0.00018  -0.00002  -0.03226  -0.03228  -2.74571
   D61       -1.48308   0.00070   0.01478   0.02129   0.03609  -1.44699
   D62        2.66690  -0.00009   0.01343   0.01343   0.02683   2.69373
   D63        0.60510   0.00013   0.01356   0.01272   0.02627   0.63137
   D64        1.02072   0.00045   0.01377   0.02459   0.03839   1.05912
   D65       -1.11248  -0.00034   0.01242   0.01673   0.02913  -1.08335
   D66        3.10890  -0.00012   0.01255   0.01602   0.02857   3.13747
   D67       -0.57417  -0.00009   0.00375   0.03971   0.04345  -0.53072
   D68        2.57488  -0.00128   0.00061   0.01307   0.01367   2.58855
   D69        1.53438   0.00028   0.00601   0.05334   0.05934   1.59372
   D70       -1.59975  -0.00091   0.00287   0.02670   0.02955  -1.57019
   D71       -2.63985   0.00018   0.00445   0.04222   0.04670  -2.59315
   D72        0.50920  -0.00100   0.00131   0.01558   0.01691   0.52612
   D73        1.07581   0.00002  -0.00305   0.00566   0.00261   1.07842
   D74       -3.02539  -0.00019  -0.00172   0.00495   0.00323  -3.02217
   D75       -0.98747   0.00038  -0.00386   0.00200  -0.00185  -0.98933
   D76       -1.04477  -0.00052  -0.00591  -0.00564  -0.01154  -1.05632
   D77        1.13721  -0.00073  -0.00458  -0.00635  -0.01093   1.12628
   D78       -3.10805  -0.00016  -0.00672  -0.00929  -0.01601  -3.12406
   D79        3.12219  -0.00017  -0.00355   0.00895   0.00539   3.12757
   D80       -0.97901  -0.00038  -0.00222   0.00823   0.00600  -0.97301
   D81        1.05891   0.00019  -0.00436   0.00529   0.00092   1.05983
   D82        3.07727   0.00173  -0.00421   0.01876   0.01455   3.09182
   D83        0.04334   0.00010  -0.00452   0.02222   0.01769   0.06103
   D84       -0.05703   0.00058  -0.00729  -0.00728  -0.01456  -0.07159
   D85       -3.09096  -0.00105  -0.00760  -0.00382  -0.01142  -3.10238
   D86        2.61211  -0.00155   0.00515  -0.03445  -0.02930   2.58282
   D87       -1.49947  -0.00348   0.00534  -0.03566  -0.03033  -1.52979
   D88        0.57061  -0.00096   0.00529  -0.03658  -0.03129   0.53932
   D89       -0.63214  -0.00007   0.00544  -0.03782  -0.03238  -0.66452
   D90        1.53947  -0.00200   0.00563  -0.03903  -0.03341   1.50606
   D91       -2.67364   0.00053   0.00558  -0.03996  -0.03437  -2.70801
   D92        1.04750   0.00054  -0.00079  -0.00054  -0.00133   1.04617
   D93       -1.10299   0.00053  -0.00072  -0.00033  -0.00105  -1.10404
   D94       -3.07803   0.00054  -0.00042   0.00193   0.00151  -3.07652
   D95       -1.11495  -0.00058  -0.00173   0.00074  -0.00099  -1.11593
   D96        3.01775  -0.00060  -0.00166   0.00096  -0.00071   3.01704
   D97        1.04271  -0.00059  -0.00136   0.00322   0.00186   1.04457
   D98        3.07625   0.00002  -0.00216  -0.00056  -0.00272   3.07353
   D99        0.92576   0.00000  -0.00210  -0.00034  -0.00244   0.92332
   D100      -1.04928   0.00001  -0.00180   0.00192   0.00012  -1.04916
   D101       1.27539   0.00313  -0.00066  -0.02033  -0.02099   1.25440
   D102      -0.84018   0.00133   0.00059  -0.01991  -0.01931  -0.85949
   D103      -2.85555   0.00256   0.00072  -0.02254  -0.02182  -2.87737
   D104      -2.86060   0.00078   0.00001  -0.02045  -0.02044  -2.88104
   D105       1.30701  -0.00102   0.00126  -0.02002  -0.01876   1.28825
   D106      -0.70836   0.00021   0.00138  -0.02265  -0.02127  -0.72963
   D107      -0.77542   0.00028   0.00050  -0.01823  -0.01774  -0.79316
   D108      -2.89099  -0.00152   0.00175  -0.01781  -0.01606  -2.90705
   D109       1.37682  -0.00029   0.00187  -0.02044  -0.01857   1.35825
   D110      -1.67227   0.00002  -0.00225   0.00708   0.00482  -1.66745
   D111       1.47923   0.00000  -0.00209   0.00695   0.00486   1.48409
   D112       0.46614  -0.00002  -0.00242   0.00559   0.00317   0.46931
   D113      -2.66554  -0.00004  -0.00226   0.00547   0.00321  -2.66233
   D114       2.46458   0.00012  -0.00277   0.00500   0.00223   2.46681
   D115      -0.66711   0.00010  -0.00260   0.00487   0.00227  -0.66484
   D116       3.14042   0.00000   0.00015   0.00013   0.00028   3.14070
   D117      -0.01597  -0.00002   0.00032   0.00054   0.00086  -0.01512
   D118      -0.01097   0.00002  -0.00001   0.00024   0.00023  -0.01074
   D119       3.11582   0.00000   0.00015   0.00066   0.00081   3.11663
   D120      -3.14028   0.00001  -0.00019  -0.00013  -0.00033  -3.14060
   D121       0.00754   0.00001  -0.00015   0.00016   0.00001   0.00755
   D122       0.01118  -0.00001  -0.00003  -0.00026  -0.00028   0.01090
   D123      -3.12419  -0.00001   0.00002   0.00004   0.00005  -3.12413
   D124       0.00265  -0.00002   0.00006  -0.00011  -0.00006   0.00259
   D125       3.14026  -0.00003   0.00018   0.00012   0.00029   3.14055
   D126      -3.12422   0.00000  -0.00011  -0.00052  -0.00063  -3.12486
   D127       0.01339  -0.00001   0.00001  -0.00029  -0.00029   0.01310
   D128       0.00551   0.00001  -0.00005  -0.00001  -0.00006   0.00545
   D129      -3.14078  -0.00001   0.00009   0.00008   0.00017  -3.14061
   D130      -3.13209   0.00002  -0.00017  -0.00024  -0.00041  -3.13250
   D131       0.00480   0.00000  -0.00003  -0.00015  -0.00018   0.00462
   D132      -0.00530   0.00000   0.00001   0.00000   0.00001  -0.00529
   D133       3.13409  -0.00001   0.00004  -0.00015  -0.00011   3.13398
   D134       3.14099   0.00002  -0.00013  -0.00010  -0.00023   3.14077
   D135      -0.00281   0.00001  -0.00010  -0.00025  -0.00035  -0.00315
   D136      -0.00308   0.00000   0.00003   0.00014   0.00017  -0.00291
   D137       3.13232   0.00000  -0.00001  -0.00015  -0.00017   3.13215
   D138       3.14071   0.00001   0.00000   0.00029   0.00029   3.14100
   D139      -0.00707   0.00001  -0.00005  -0.00001  -0.00005  -0.00712
   D140      -1.78655  -0.00118  -0.00983  -0.00854  -0.01835  -1.80491
   D141       2.51105  -0.00022  -0.00883  -0.01020  -0.01905   2.49200
   D142       0.29456   0.00042  -0.01035  -0.00492  -0.01527   0.27929
   D143       0.34818  -0.00010  -0.01046  -0.00682  -0.01726   0.33092
   D144      -1.63740   0.00087  -0.00946  -0.00848  -0.01796  -1.65536
   D145       2.42929   0.00151  -0.01098  -0.00320  -0.01417   2.41512
   D146       2.35924  -0.00129  -0.01074  -0.00403  -0.01475   2.34449
   D147       0.37366  -0.00032  -0.00973  -0.00569  -0.01544   0.35821
   D148      -1.84283   0.00032  -0.01125  -0.00041  -0.01166  -1.85449
   D149       1.65067   0.00270  -0.01114   0.04366   0.03253   1.68320
   D150      -2.51417  -0.00143  -0.01209   0.03446   0.02233  -2.49184
   D151      -0.46366   0.00014  -0.01171   0.04230   0.03062  -0.43304
   D152      -1.15503  -0.00041   0.00054  -0.00242  -0.00192  -1.15696
   D153       2.95351   0.00135   0.00067   0.01353   0.01421   2.96773
   D154       0.96040   0.00052  -0.00013   0.00084   0.00069   0.96109
   D155       3.09226  -0.00078   0.00272   0.00561   0.00832   3.10058
   D156       0.91762   0.00098   0.00285   0.02156   0.02446   0.94208
   D157      -1.07550   0.00015   0.00205   0.00887   0.01093  -1.06456
   D158       1.06891  -0.00107   0.00265  -0.00670  -0.00408   1.06484
   D159      -1.10573   0.00069   0.00279   0.00924   0.01206  -1.09367
   D160      -3.09884  -0.00014   0.00199  -0.00345  -0.00146  -3.10031
   D161       2.93606  -0.00071   0.00094   0.01429   0.01517   2.95123
   D162      -1.21369  -0.00067  -0.00081   0.00915   0.00829  -1.20540
   D163       0.79349  -0.00073  -0.00109   0.00776   0.00662   0.80011
   D164      -1.21134   0.00083   0.00293   0.01383   0.01682  -1.19453
   D165       0.92209   0.00087   0.00118   0.00870   0.00994   0.93203
   D166       2.92928   0.00081   0.00091   0.00731   0.00826   2.93754
   D167       0.82087  -0.00002   0.00171   0.01460   0.01632   0.83718
   D168       2.95430   0.00002  -0.00004   0.00947   0.00944   2.96373
   D169      -1.32170  -0.00003  -0.00031   0.00808   0.00777  -1.31394
   D170       1.17052   0.00139  -0.00539  -0.05327  -0.05871   1.11181
   D171      -1.22083   0.00054  -0.00498  -0.06918  -0.07423  -1.29505
   D172      -0.98804   0.00111  -0.00519  -0.04211  -0.04726  -1.03530
   D173       2.90379   0.00026  -0.00477  -0.05802  -0.06277   2.84102
   D174      -3.06775   0.00106  -0.00444  -0.04451  -0.04892  -3.11668
   D175       0.82408   0.00021  -0.00403  -0.06042  -0.06444   0.75964
   D176       1.64320  -0.00012  -0.00476  -0.00158  -0.00634   1.63686
   D177      -1.50056  -0.00011  -0.00428   0.00063  -0.00364  -1.50420
   D178      -0.49219   0.00000  -0.00293   0.00441   0.00148  -0.49071
   D179       2.64724   0.00001  -0.00244   0.00662   0.00418   2.65142
   D180      -2.50496   0.00002  -0.00289   0.00538   0.00249  -2.50247
   D181       0.63446   0.00002  -0.00240   0.00759   0.00519   0.63965
   D182       3.13577   0.00001   0.00033   0.00131   0.00163   3.13740
   D183      -0.01571   0.00002   0.00004   0.00171   0.00175  -0.01397
   D184      -0.00368   0.00000  -0.00015  -0.00090  -0.00105  -0.00472
   D185       3.12803   0.00002  -0.00045  -0.00049  -0.00094   3.12710
   D186      -3.13519  -0.00001  -0.00026  -0.00139  -0.00166  -3.13685
   D187       0.00662  -0.00001  -0.00047  -0.00245  -0.00292   0.00370
   D188       0.00424  -0.00001   0.00022   0.00082   0.00104   0.00528
   D189      -3.13714   0.00000   0.00002  -0.00024  -0.00022  -3.13736
   D190       0.00009   0.00001  -0.00003   0.00050   0.00047   0.00056
   D191       3.14001   0.00001  -0.00011   0.00068   0.00057   3.14058
   D192      -3.13154  -0.00001   0.00027   0.00009   0.00036  -3.13117
   D193       0.00839   0.00000   0.00019   0.00028   0.00046   0.00885
   D194       0.00294  -0.00001   0.00014  -0.00003   0.00011   0.00305
   D195      -3.14039   0.00000   0.00001   0.00008   0.00010  -3.14029
   D196      -3.13699  -0.00002   0.00022  -0.00021   0.00001  -3.13697
   D197       0.00288   0.00000   0.00010  -0.00010  -0.00001   0.00287
   D198      -0.00237   0.00001  -0.00007  -0.00005  -0.00012  -0.00249
   D199       3.13878   0.00001  -0.00007   0.00044   0.00037   3.13915
   D200       3.14096  -0.00001   0.00006  -0.00016  -0.00010   3.14086
   D201      -0.00108   0.00000   0.00006   0.00033   0.00039  -0.00069
   D202      -0.00122   0.00000  -0.00011  -0.00034  -0.00046  -0.00168
   D203       3.14016   0.00000   0.00009   0.00071   0.00080   3.14096
   D204       3.14081   0.00000  -0.00011  -0.00083  -0.00095   3.13987
   D205      -0.00099  -0.00001   0.00009   0.00022   0.00031  -0.00068
   D206       0.67188  -0.00075  -0.00360  -0.08024  -0.08383   0.58804
   D207      -2.53867  -0.00186  -0.00287  -0.07428  -0.07715  -2.61582
   D208       3.04552  -0.00010  -0.00328  -0.06197  -0.06526   2.98026
   D209      -0.16503  -0.00122  -0.00256  -0.05602  -0.05858  -0.22361
   D210       3.04055   0.00467  -0.00023   0.03317   0.03294   3.07349
   D211      -0.16306   0.00353   0.00047   0.03856   0.03902  -0.12404
   D212      -1.27869   0.00340   0.01966   0.12174   0.14134  -1.13735
   D213       2.89391   0.00182   0.01689   0.11126   0.12814   3.02206
   D214       0.85863   0.00225   0.01596   0.10701   0.12304   0.98167
   D215      -1.70066  -0.00141  -0.05834  -0.09823  -0.15655  -1.85721
   D216       1.31440  -0.00099  -0.06634  -0.10752  -0.17377   1.14063
   D217       0.27756  -0.00093  -0.05545  -0.09276  -0.14826   0.12929
   D218      -2.99057  -0.00050  -0.06346  -0.10204  -0.16548   3.12714
   D219       2.49911  -0.00138  -0.05367  -0.08240  -0.13615   2.36296
   D220      -0.76901  -0.00096  -0.06167  -0.09169  -0.15337  -0.92238
   D221       3.04513   0.00008  -0.00481  -0.00157  -0.00656   3.03857
   D222      -0.10624   0.00000  -0.00651  -0.00916  -0.01582  -0.12206
   D223       0.01940   0.00013   0.00262   0.00870   0.01134   0.03074
   D224      -3.13196   0.00005   0.00092   0.00110   0.00208  -3.12988
   D225      -3.04748  -0.00091   0.00482  -0.00421   0.00037  -3.04711
   D226      -0.00916  -0.00023  -0.00169  -0.01075  -0.01246  -0.02162
   D227      -0.02224   0.00007  -0.00236  -0.00048  -0.00285  -0.02509
   D228       3.12823   0.00014  -0.00081   0.00636   0.00545   3.13368
   D229       0.01426  -0.00023   0.00094  -0.00801  -0.00705   0.00721
   D230      -3.08040  -0.00041   0.01072   0.02680   0.03748  -3.04292
   D231      -0.00310   0.00027   0.00043   0.01103   0.01140   0.00829
   D232       3.09328   0.00045  -0.00900  -0.02246  -0.03146   3.06182
   D233      -1.12593  -0.00050  -0.00547   0.03343   0.02796  -1.09797
   D234       0.94895  -0.00005  -0.00690   0.03082   0.02392   0.97287
   D235       3.05876  -0.00018  -0.00771   0.02778   0.02005   3.07881
   D236       2.98022   0.00013  -0.00716   0.03318   0.02602   3.00624
   D237      -1.22809   0.00058  -0.00860   0.03057   0.02198  -1.20610
   D238       0.88172   0.00045  -0.00940   0.02752   0.01812   0.89984
   D239       0.91228  -0.00032  -0.00547   0.03798   0.03251   0.94479
   D240       2.98716   0.00012  -0.00691   0.03536   0.02847   3.01563
   D241      -1.18622  -0.00001  -0.00771   0.03232   0.02460  -1.16161
   D242       2.97777   0.00012  -0.00246  -0.00181  -0.00427   2.97349
   D243      -1.23873   0.00024  -0.00312  -0.00530  -0.00842  -1.24714
   D244       0.90040  -0.00003  -0.00192  -0.00349  -0.00541   0.89500
   D245      -1.10976   0.00009  -0.00016   0.00377   0.00360  -1.10616
   D246       0.95693   0.00022  -0.00082   0.00028  -0.00054   0.95639
   D247       3.09607  -0.00006   0.00038   0.00209   0.00247   3.09853
   D248       0.96210  -0.00021  -0.00066  -0.00024  -0.00089   0.96120
   D249       3.02879  -0.00009  -0.00131  -0.00373  -0.00504   3.02375
   D250      -1.11527  -0.00036  -0.00011  -0.00192  -0.00203  -1.11730
   D251      -0.00138   0.00018  -0.00051  -0.00181  -0.00231  -0.00369
   D252      -3.13721  -0.00008  -0.00121  -0.00794  -0.00910   3.13687
         Item               Value     Threshold  Converged?
 Maximum Force            0.013484     0.000450     NO 
 RMS     Force            0.001278     0.000300     NO 
 Maximum Displacement     0.591390     0.001800     NO 
 RMS     Displacement     0.088088     0.001200     NO 
 Predicted change in Energy=-2.157092D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.625536   -2.077326    1.261963
      2          6           0       -9.296621   -1.205587    0.044834
      3          6           0      -10.216612    0.015203   -0.044840
      4          6           0       -7.860236   -0.786269    0.080736
      5          7           0       -6.932365   -1.099209   -0.790219
      6          6           0       -5.666257   -0.541860   -0.459127
      7          6           0       -4.516739   -0.844821   -1.380880
      8          7           0       -3.915049    0.367497   -1.998904
      9          6           0       -4.786408    1.038334   -3.003123
     10          6           0       -3.092552    1.247694   -1.241674
     11          8           0       -2.926870    2.419651   -1.568627
     12          7           0       -2.461796    0.714302   -0.080552
     13          6           0       -1.346854    1.506789    0.501256
     14          6           0       -0.028211    1.213092   -0.246656
     15          8           0        0.212055    0.125231   -0.768574
     16          7           0        0.883380    2.253069   -0.332635
     17          6           0        2.210076    2.053662   -0.977625
     18          6           0        2.663544    3.368956   -1.653981
     19          6           0        2.807589    4.537331   -0.719573
     20          6           0        1.750244    5.448206   -0.569310
     21          6           0        1.879363    6.535233    0.299065
     22          6           0        3.061999    6.723875    1.020335
     23          6           0        4.120194    5.823195    0.864977
     24          6           0        3.997140    4.734508   -0.001929
     25          6           0        3.249115    1.538899    0.036403
     26          6           0        2.996987    0.084539    0.434284
     27          8           0        2.399559    0.098309    1.749011
     28          6           0        4.295482   -0.751591    0.636771
     29          6           0        5.042726   -0.921781   -0.694924
     30          6           0        6.416369   -1.490521   -0.484123
     31          6           0        6.610671   -2.876701   -0.575239
     32          6           0        7.884890   -3.415294   -0.385906
     33          6           0        8.969111   -2.577047   -0.104821
     34          6           0        8.774517   -1.195778   -0.009744
     35          6           0        7.501385   -0.649668   -0.197470
     36          7           0        3.951096   -2.079135    1.256042
     37          6           0        3.141368   -2.978705    0.532238
     38          8           0        3.077451   -3.172272   -0.666428
     39          8           0        2.397935   -3.754563    1.426972
     40          6           0        1.457686   -4.658470    0.761184
     41          6           0        0.463454   -3.812229    0.079476
     42          6           0       -0.843328   -3.551653    0.387460
     43          7           0       -1.465320   -2.581254   -0.424915
     44          6           0       -0.632308   -2.085623   -1.322394
     45         16           0        0.981589   -2.792459   -1.235597
     46          6           0       -1.217129    1.181787    2.024895
     47          6           0       -0.884979   -0.294161    2.299847
     48          6           0       -0.192281    2.104543    2.685157
     49          6           0       -5.643571    0.202294    0.685163
     50         16           0       -7.225458    0.232657    1.403750
     51          1           0      -10.636651   -2.492881    1.182035
     52          1           0       -8.929889   -2.921060    1.351802
     53          1           0       -9.581536   -1.514619    2.202386
     54          1           0       -9.447607   -1.828683   -0.883335
     55          1           0      -10.167422    0.644660    0.852087
     56          1           0       -9.962454    0.647809   -0.903986
     57          1           0      -11.262488   -0.292982   -0.161641
     58          1           0       -3.734308   -1.437459   -0.831888
     59          1           0       -4.854754   -1.513647   -2.213083
     60          1           0       -4.904181    0.367192   -3.868582
     61          1           0       -4.316559    1.978290   -3.349820
     62          1           0       -5.783541    1.285524   -2.604143
     63          1           0       -2.322944   -0.310277   -0.025888
     64          1           0       -1.605099    2.600578    0.381749
     65          1           0        0.718578    3.150236    0.120824
     66          1           0        2.068237    1.275459   -1.779328
     67          1           0        1.939311    3.617487   -2.461806
     68          1           0        3.620492    3.186803   -2.187324
     69          1           0        0.830418    5.319245   -1.138337
     70          1           0        1.055470    7.239621    0.410854
     71          1           0        3.160834    7.570374    1.696959
     72          1           0        5.046000    5.970890    1.419980
     73          1           0        4.829498    4.044782   -0.122156
     74          1           0        3.237475    2.161254    0.957658
     75          1           0        4.264466    1.661041   -0.391342
     76          1           0        2.301090   -0.426675   -0.275885
     77          1           0        1.407148    0.038163    1.678485
     78          1           0        4.959468   -0.240010    1.386446
     79          1           0        4.457920   -1.588781   -1.376034
     80          1           0        5.096911    0.049652   -1.226933
     81          1           0        5.760430   -3.527023   -0.785010
     82          1           0        8.032773   -4.491813   -0.456257
     83          1           0        9.960771   -2.998972    0.041022
     84          1           0        9.616686   -0.542683    0.211129
     85          1           0        7.358456    0.424645   -0.121321
     86          1           0        3.711879   -1.997155    2.262850
     87          1           0        1.061473   -5.268353    1.594900
     88          1           0        2.037098   -5.291883    0.057456
     89          1           0       -1.437894   -4.018548    1.164916
     90          1           0       -0.861041   -1.263586   -1.999401
     91          1           0       -2.219806    1.407202    2.473358
     92          1           0       -1.683740   -0.966725    1.950086
     93          1           0        0.028509   -0.633766    1.783265
     94          1           0       -0.738045   -0.477942    3.369509
     95          1           0       -0.224918    1.994741    3.777113
     96          1           0        0.840134    1.870879    2.390190
     97          1           0       -0.382077    3.160329    2.468157
     98          1           0       -4.809044    0.719439    1.131033
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0800535      0.0288863      0.0231691
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3653.8833651465 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.253314764036     A.U. after   19 cycles
             Convg  =    0.6078D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000107998   -0.000504417   -0.000233652
      2        6          -0.000217615    0.000440300    0.000599014
      3        6           0.000083145   -0.000384812    0.000272968
      4        6           0.000289482   -0.000058783    0.000800704
      5        7          -0.000942647   -0.000975772   -0.000983502
      6        6           0.000626809    0.000943509    0.000384010
      7        6          -0.000224957   -0.001252977   -0.000752970
      8        7          -0.001735504   -0.001287621    0.001834645
      9        6           0.000419731    0.000594501    0.001032068
     10        6           0.003564332   -0.001328113    0.000062848
     11        8          -0.002383318    0.001556663    0.002264249
     12        7          -0.003389265   -0.003693148    0.000872953
     13        6          -0.000125517    0.001936173    0.001738881
     14        6           0.002245932    0.003242814   -0.001372990
     15        8           0.000169571   -0.004208973    0.000696984
     16        7           0.000888137   -0.001159143    0.001487780
     17        6           0.000384105   -0.001295660   -0.002317356
     18        6           0.000326177    0.001328279    0.000040084
     19        6          -0.000094830    0.000311370    0.000368955
     20        6           0.000297945   -0.000229107    0.000164358
     21        6           0.000355090   -0.000059901   -0.000052822
     22        6           0.000050909   -0.000288305    0.000114293
     23        6          -0.000305287   -0.000223375    0.000119121
     24        6          -0.000188132    0.000004251    0.000020007
     25        6          -0.001325148   -0.001700423   -0.001883132
     26        6           0.000456744    0.000639986    0.003562033
     27        8           0.000017699    0.000282374    0.001764080
     28        6           0.000454437    0.002790432    0.004028666
     29        6           0.000520081    0.001497791    0.000216015
     30        6          -0.000334070   -0.000397892   -0.000273728
     31        6          -0.000864502    0.000156344    0.000398733
     32        6          -0.000256159    0.000399865    0.000265565
     33        6          -0.000134462   -0.000159232    0.000034147
     34        6          -0.000030351   -0.000015756   -0.000017870
     35        6          -0.000436728   -0.000149917   -0.000113794
     36        7           0.005341200    0.007754857   -0.002482573
     37        6          -0.001549878   -0.021705986    0.015650328
     38        8          -0.010533600    0.002988856   -0.009481264
     39        8          -0.005145676   -0.004100180   -0.002899373
     40        6          -0.000954801    0.002835316   -0.001370738
     41        6           0.005920351    0.000634208    0.006116560
     42        6          -0.000530070    0.003618025   -0.001036910
     43        7           0.002848480   -0.001503901   -0.000788327
     44        6          -0.000243184    0.001493886    0.002335699
     45       16           0.008216707    0.002872463   -0.008892237
     46        6          -0.001242021    0.004496587    0.000261264
     47        6           0.001940075   -0.000547706   -0.004957768
     48        6          -0.000472828    0.000350157    0.000309333
     49        6           0.000183642    0.000102553    0.000486279
     50       16          -0.000385621    0.000353154   -0.000953438
     51        1           0.000053914    0.000112852    0.000005489
     52        1          -0.000053625    0.000112418   -0.000078620
     53        1          -0.000122315    0.000091225   -0.000188376
     54        1          -0.000093527   -0.000063097   -0.000090444
     55        1          -0.000321818    0.000081351   -0.000008175
     56        1          -0.000096572   -0.000002602   -0.000167316
     57        1          -0.000039161    0.000109748   -0.000120457
     58        1           0.000938484   -0.000561687   -0.002009645
     59        1           0.000090569    0.000308975    0.000010314
     60        1           0.000039554    0.000250165   -0.000325146
     61        1          -0.000301049   -0.000050725   -0.000237069
     62        1           0.000030315    0.000145038    0.000171553
     63        1           0.000313831   -0.001570282   -0.000931735
     64        1           0.000439362    0.000740713    0.000543018
     65        1          -0.000416269    0.000127079    0.000470645
     66        1          -0.001375052    0.001513579   -0.001110852
     67        1           0.000090385    0.000135672   -0.000213229
     68        1           0.000068593    0.000078516    0.000216081
     69        1           0.000100338    0.000147924   -0.000077530
     70        1          -0.000064013    0.000012621   -0.000040066
     71        1           0.000040188    0.000015372   -0.000060779
     72        1           0.000076584   -0.000030158   -0.000017263
     73        1          -0.000047815    0.000009133    0.000024532
     74        1          -0.000169217   -0.000726921   -0.000394705
     75        1           0.000310894   -0.000384746    0.000429315
     76        1           0.000083657    0.000670993   -0.000189775
     77        1          -0.000807062    0.000562178    0.000030381
     78        1           0.000331843    0.000252555    0.000256682
     79        1           0.000434262    0.000079163   -0.000531541
     80        1          -0.000223593   -0.000388331    0.000145305
     81        1          -0.000341041    0.000269817    0.000060468
     82        1          -0.000109896   -0.000080852   -0.000022970
     83        1          -0.000030383    0.000043656    0.000013902
     84        1           0.000004459   -0.000021677   -0.000004704
     85        1           0.000112015    0.000016310   -0.000014855
     86        1          -0.001139126    0.001465658   -0.002873657
     87        1           0.000147635   -0.002156160   -0.000692436
     88        1           0.000095078    0.001513616    0.001505954
     89        1           0.000192636   -0.000117423   -0.000221468
     90        1          -0.000402408    0.003406199   -0.000186076
     91        1           0.000492313    0.001244395    0.000835341
     92        1           0.000291992   -0.001631056    0.000286350
     93        1          -0.000223066   -0.001424677   -0.001219771
     94        1           0.000934603    0.000155188    0.000103124
     95        1           0.000149745   -0.000459221    0.000214319
     96        1          -0.000632497   -0.000134887   -0.000444049
     97        1          -0.000187121   -0.000156273   -0.000138415
     98        1          -0.000329229   -0.000104945   -0.000149832
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.021705986 RMS     0.002365381

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.059272614 RMS     0.004783450
 Search for a local minimum.
 Step number  50 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   50   49
 DE=  1.70D-03 DEPred=-2.16D-03 R=-7.90D-01
 Trust test=-7.90D-01 RLast= 5.51D-01 DXMaxT set to 5.26D-01
 Use linear search instead of GDIIS.
 Quartic linear search produced a step of -0.55000.
 Iteration  1 RMS(Cart)=  0.04805325 RMS(Int)=  0.00086794
 Iteration  2 RMS(Cart)=  0.00176130 RMS(Int)=  0.00000836
 Iteration  3 RMS(Cart)=  0.00000293 RMS(Int)=  0.00000831
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000831
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89660  -0.00051  -0.00102   0.00000  -0.00102   2.89558
    R2        2.07132   0.00011   0.00014   0.00000   0.00014   2.07146
    R3        2.07344   0.00005   0.00069   0.00000   0.00069   2.07413
    R4        2.07265  -0.00019  -0.00058   0.00000  -0.00058   2.07207
    R5        2.89366  -0.00022   0.00072   0.00000   0.00072   2.89438
    R6        2.82848  -0.00056   0.00018   0.00000   0.00018   2.82867
    R7        2.13174  -0.00001  -0.00069   0.00000  -0.00069   2.13106
    R8        2.07277  -0.00016  -0.00061   0.00000  -0.00061   2.07217
    R9        2.07261   0.00018   0.00044   0.00000   0.00044   2.07304
   R10        2.07223   0.00002  -0.00023   0.00000  -0.00023   2.07200
   R11        2.47651  -0.00012   0.00089   0.00000   0.00089   2.47739
   R12        3.37596  -0.00030  -0.00104   0.00000  -0.00104   3.37492
   R13        2.68799  -0.00151  -0.00273   0.00000  -0.00273   2.68526
   R14        2.84264  -0.00134  -0.00021   0.00000  -0.00021   2.84243
   R15        2.57979  -0.00041   0.00038   0.00000   0.00038   2.58017
   R16        2.81163  -0.00336  -0.00182   0.00000  -0.00182   2.80981
   R17        2.12526  -0.00195  -0.00351   0.00000  -0.00351   2.12175
   R18        2.11628   0.00029   0.00046   0.00000   0.00046   2.11674
   R19        2.81420  -0.00018   0.00068   0.00000   0.00068   2.81488
   R20        2.68889  -0.00199  -0.00088   0.00000  -0.00088   2.68801
   R21        2.08155   0.00033   0.00025   0.00000   0.00025   2.08180
   R22        2.09109   0.00026   0.00059   0.00000   0.00059   2.09169
   R23        2.08261   0.00007  -0.00005   0.00000  -0.00005   2.08256
   R24        2.32047  -0.00307  -0.00070   0.00000  -0.00070   2.31976
   R25        2.69282  -0.00215   0.00018   0.00000   0.00018   2.69300
   R26        2.80905  -0.00767  -0.00462   0.00000  -0.00462   2.80442
   R27        1.95660  -0.00175   0.00056   0.00000   0.00056   1.95716
   R28        2.91805  -0.00249  -0.00040   0.00000  -0.00040   2.91765
   R29        2.95422  -0.00512  -0.00233   0.00000  -0.00233   2.95190
   R30        2.13576  -0.00054  -0.00037   0.00000  -0.00037   2.13540
   R31        2.32488  -0.00352  -0.00255   0.00000  -0.00255   2.32232
   R32        2.61844  -0.00321   0.00079   0.00000   0.00079   2.61923
   R33        2.81302   0.00050  -0.00017   0.00000  -0.00017   2.81285
   R34        1.92501  -0.00037   0.00034   0.00000   0.00034   1.92535
   R35        2.92333  -0.00119  -0.00164   0.00000  -0.00164   2.92169
   R36        2.91094   0.00085   0.00156   0.00000   0.00156   2.91249
   R37        2.12831   0.00198   0.00106   0.00000   0.00106   2.12937
   R38        2.84023   0.00043   0.00061   0.00000   0.00061   2.84084
   R39        2.10334   0.00026  -0.00051   0.00000  -0.00051   2.10283
   R40        2.09869  -0.00014   0.00024   0.00000   0.00024   2.09893
   R41        2.65253   0.00052   0.00007   0.00000   0.00007   2.65259
   R42        2.65163   0.00040  -0.00029   0.00000  -0.00029   2.65135
   R43        2.64046   0.00021  -0.00022   0.00000  -0.00022   2.64025
   R44        2.05842   0.00019   0.00013   0.00000   0.00013   2.05855
   R45        2.64186   0.00026   0.00022   0.00000   0.00022   2.64208
   R46        2.05924  -0.00005  -0.00020   0.00000  -0.00020   2.05904
   R47        2.64233   0.00031  -0.00004   0.00000  -0.00004   2.64229
   R48        2.05637  -0.00001  -0.00005   0.00000  -0.00005   2.05632
   R49        2.64015   0.00038   0.00022   0.00000   0.00022   2.64037
   R50        2.05881  -0.00004  -0.00007   0.00000  -0.00007   2.05874
   R51        2.05537   0.00005   0.00015   0.00000   0.00015   2.05552
   R52        2.88890   0.00662   0.00143   0.00000   0.00143   2.89033
   R53        2.10106   0.00042  -0.00089   0.00000  -0.00089   2.10017
   R54        2.09480  -0.00038  -0.00157   0.00000  -0.00157   2.09324
   R55        2.72908   0.00071  -0.00140   0.00000  -0.00140   2.72768
   R56        2.94349  -0.00144   0.00301   0.00000   0.00301   2.94650
   R57        2.11274   0.00069   0.00228   0.00000   0.00228   2.11502
   R58        1.88355  -0.00047   0.00409   0.00000   0.00409   1.88764
   R59        2.90352   0.00139  -0.00130   0.00000  -0.00130   2.90222
   R60        2.84369  -0.00505  -0.00057   0.00000  -0.00057   2.84312
   R61        2.12508  -0.00026  -0.00003   0.00000  -0.00003   2.12505
   R62        2.83761   0.00240   0.00144   0.00000   0.00144   2.83905
   R63        2.11345   0.00024  -0.00037   0.00000  -0.00037   2.11308
   R64        2.09551   0.00000  -0.00013   0.00000  -0.00013   2.09538
   R65        2.65071   0.00162   0.00009   0.00000   0.00009   2.65079
   R66        2.64998   0.00044   0.00051   0.00000   0.00051   2.65048
   R67        2.63856   0.00045   0.00000   0.00000   0.00000   2.63856
   R68        2.06130   0.00007   0.00134   0.00000   0.00134   2.06264
   R69        2.64373   0.00007   0.00011   0.00000   0.00011   2.64383
   R70        2.05773  -0.00002  -0.00028   0.00000  -0.00028   2.05745
   R71        2.64211   0.00002  -0.00005   0.00000  -0.00005   2.64207
   R72        2.05510   0.00003  -0.00012   0.00000  -0.00012   2.05498
   R73        2.64180   0.00014  -0.00037   0.00000  -0.00037   2.64143
   R74        2.05674   0.00002  -0.00005   0.00000  -0.00005   2.05669
   R75        2.05309   0.00005   0.00012   0.00000   0.00012   2.05321
   R76        2.66497  -0.01038   0.00267   0.00000   0.00267   2.66764
   R77        1.96169  -0.00341   0.00270   0.00000   0.00270   1.96438
   R78        2.29767   0.01054  -0.00229   0.00000  -0.00229   2.29538
   R79        2.64237   0.00114  -0.00125   0.00000  -0.00125   2.64112
   R80        2.76727   0.01686  -0.00440   0.00000  -0.00440   2.76286
   R81        2.78332   0.01429   0.00292   0.00000   0.00292   2.78624
   R82        2.09071  -0.00096   0.00103   0.00000   0.00103   2.09174
   R83        2.09765   0.00042   0.00002   0.00000   0.00002   2.09767
   R84        2.58446   0.00320   0.00280   0.00000   0.00281   2.58727
   R85        3.29366   0.00678  -0.00429   0.00000  -0.00429   3.28938
   R86        2.66478   0.00023  -0.00233   0.00000  -0.00232   2.66246
   R87        2.04923  -0.00012   0.00068   0.00000   0.00068   2.04991
   R88        2.49632  -0.00265  -0.00011   0.00000  -0.00012   2.49620
   R89        3.33354  -0.00072  -0.00435   0.00000  -0.00436   3.32918
   R90        2.05833  -0.00058  -0.00382   0.00000  -0.00382   2.05451
   R91        2.90572  -0.00722  -0.00247   0.00000  -0.00247   2.90325
   R92        2.88933   0.00078   0.00059   0.00000   0.00059   2.88992
   R93        2.11893   0.00066   0.00008   0.00000   0.00008   2.11901
   R94        2.08101  -0.00131  -0.00008   0.00000  -0.00008   2.08093
   R95        2.08440   0.00029  -0.00006   0.00000  -0.00006   2.08435
   R96        2.06970  -0.00001   0.00062   0.00000   0.00062   2.07032
   R97        2.07482   0.00041  -0.00053   0.00000  -0.00053   2.07429
   R98        2.07654   0.00070   0.00010   0.00000   0.00010   2.07664
   R99        2.06819   0.00010   0.00008   0.00000   0.00008   2.06827
   R100       3.28381  -0.00064  -0.00181   0.00000  -0.00181   3.28200
   R101       2.03764   0.00025   0.00027   0.00000   0.00027   2.03791
    A1        1.93441   0.00003   0.00037   0.00000   0.00037   1.93478
    A2        1.94583  -0.00012  -0.00053   0.00000  -0.00053   1.94530
    A3        1.96108  -0.00014  -0.00057   0.00000  -0.00057   1.96051
    A4        1.87474   0.00002  -0.00073   0.00000  -0.00073   1.87401
    A5        1.86924   0.00011   0.00133   0.00000   0.00133   1.87057
    A6        1.87431   0.00013   0.00018   0.00000   0.00018   1.87449
    A7        1.95087   0.00019   0.00032   0.00000   0.00032   1.95119
    A8        1.92432   0.00019  -0.00052   0.00000  -0.00052   1.92380
    A9        1.88650  -0.00003   0.00113   0.00000   0.00113   1.88763
   A10        1.93331  -0.00056  -0.00152   0.00000  -0.00152   1.93179
   A11        1.88785   0.00012   0.00029   0.00000   0.00029   1.88814
   A12        1.87855   0.00010   0.00039   0.00000   0.00039   1.87894
   A13        1.96350  -0.00032  -0.00090   0.00000  -0.00090   1.96260
   A14        1.94603  -0.00008  -0.00021   0.00000  -0.00021   1.94582
   A15        1.93393   0.00006  -0.00015   0.00000  -0.00015   1.93378
   A16        1.87461   0.00013   0.00044   0.00000   0.00044   1.87505
   A17        1.86623   0.00023   0.00181   0.00000   0.00181   1.86804
   A18        1.87516   0.00000  -0.00092   0.00000  -0.00091   1.87424
   A19        2.21008   0.00005  -0.00048   0.00000  -0.00048   2.20960
   A20        2.11593   0.00005   0.00102   0.00000   0.00102   2.11695
   A21        1.95713  -0.00010  -0.00053   0.00000  -0.00053   1.95660
   A22        1.96271  -0.00025  -0.00067   0.00000  -0.00067   1.96204
   A23        2.04727  -0.00051  -0.00080   0.00000  -0.00080   2.04647
   A24        2.00808   0.00075   0.00170   0.00000   0.00170   2.00979
   A25        2.22775  -0.00024  -0.00091   0.00000  -0.00091   2.22684
   A26        1.98172   0.00072   0.00254   0.00000   0.00254   1.98426
   A27        1.91629   0.00046  -0.00305   0.00000  -0.00305   1.91324
   A28        1.92302  -0.00028  -0.00164   0.00000  -0.00164   1.92138
   A29        1.92921  -0.00132  -0.00399   0.00000  -0.00399   1.92522
   A30        1.87550   0.00010   0.00048   0.00000   0.00048   1.87598
   A31        1.83177   0.00026   0.00601   0.00000   0.00601   1.83778
   A32        1.99383  -0.00080  -0.00339   0.00000  -0.00339   1.99044
   A33        2.11384  -0.00037  -0.00189   0.00000  -0.00188   2.11196
   A34        2.00251   0.00128   0.00085   0.00000   0.00086   2.00337
   A35        1.89433   0.00034   0.00103   0.00000   0.00103   1.89536
   A36        1.92354  -0.00016  -0.00073   0.00000  -0.00073   1.92281
   A37        1.96743  -0.00016   0.00047   0.00000   0.00047   1.96790
   A38        1.89314  -0.00019  -0.00236   0.00000  -0.00236   1.89078
   A39        1.90114  -0.00010  -0.00062   0.00000  -0.00062   1.90052
   A40        1.88291   0.00026   0.00207   0.00000   0.00207   1.88498
   A41        2.12550   0.00142  -0.00052   0.00000  -0.00051   2.12499
   A42        2.04648  -0.00045   0.00261   0.00000   0.00262   2.04910
   A43        2.11120  -0.00098  -0.00214   0.00000  -0.00214   2.10907
   A44        2.03910  -0.00184  -0.00525   0.00000  -0.00525   2.03385
   A45        2.06325   0.00143   0.00332   0.00000   0.00332   2.06657
   A46        1.98921  -0.00032   0.00014   0.00000   0.00014   1.98935
   A47        1.92787  -0.00190  -0.00370   0.00000  -0.00369   1.92418
   A48        1.91015   0.00006  -0.00525   0.00000  -0.00524   1.90490
   A49        1.87883   0.00033   0.00024   0.00000   0.00023   1.87906
   A50        1.94084   0.00011   0.00061   0.00000   0.00063   1.94146
   A51        1.90496   0.00144   0.00610   0.00000   0.00610   1.91106
   A52        1.89992  -0.00002   0.00204   0.00000   0.00205   1.90197
   A53        2.14174  -0.00034  -0.00119   0.00000  -0.00116   2.14059
   A54        2.03657   0.00373   0.00234   0.00000   0.00237   2.03894
   A55        2.10466  -0.00335  -0.00104   0.00000  -0.00101   2.10365
   A56        2.10911  -0.00284   0.00053   0.00000   0.00053   2.10964
   A57        2.12583   0.00135   0.00022   0.00000   0.00022   2.12604
   A58        2.04322   0.00140  -0.00059   0.00000  -0.00059   2.04263
   A59        1.91431  -0.00047  -0.00075   0.00000  -0.00075   1.91356
   A60        1.93982  -0.00296   0.00014   0.00000   0.00014   1.93996
   A61        1.86371   0.00198   0.00162   0.00000   0.00162   1.86533
   A62        1.95435   0.00279   0.00078   0.00000   0.00078   1.95513
   A63        1.88934  -0.00105  -0.00135   0.00000  -0.00136   1.88798
   A64        1.89931  -0.00029  -0.00044   0.00000  -0.00044   1.89887
   A65        2.00119  -0.00106  -0.00085   0.00000  -0.00085   2.00034
   A66        1.89277   0.00033   0.00125   0.00000   0.00125   1.89402
   A67        1.89980   0.00017  -0.00027   0.00000  -0.00027   1.89953
   A68        1.91771   0.00033  -0.00016   0.00000  -0.00016   1.91755
   A69        1.92142   0.00043  -0.00057   0.00000  -0.00057   1.92085
   A70        1.82218  -0.00012   0.00077   0.00000   0.00077   1.82295
   A71        2.09303   0.00007  -0.00009   0.00000  -0.00009   2.09294
   A72        2.10418   0.00010   0.00030   0.00000   0.00030   2.10448
   A73        2.08593  -0.00017  -0.00021   0.00000  -0.00021   2.08573
   A74        2.09643   0.00011   0.00028   0.00000   0.00028   2.09672
   A75        2.09827  -0.00009  -0.00019   0.00000  -0.00019   2.09808
   A76        2.08840  -0.00002  -0.00010   0.00000  -0.00010   2.08830
   A77        2.09877   0.00000  -0.00013   0.00000  -0.00013   2.09863
   A78        2.09066  -0.00001   0.00013   0.00000   0.00013   2.09080
   A79        2.09375   0.00001   0.00000   0.00000   0.00000   2.09375
   A80        2.08974   0.00002  -0.00004   0.00000  -0.00004   2.08970
   A81        2.09740  -0.00007  -0.00031   0.00000  -0.00031   2.09708
   A82        2.09604   0.00005   0.00035   0.00000   0.00035   2.09640
   A83        2.09929   0.00000  -0.00004   0.00000  -0.00004   2.09924
   A84        2.09344  -0.00008  -0.00021   0.00000  -0.00021   2.09324
   A85        2.09045   0.00008   0.00025   0.00000   0.00025   2.09070
   A86        2.09615   0.00005   0.00014   0.00000   0.00014   2.09628
   A87        2.09800  -0.00001   0.00013   0.00000   0.00013   2.09814
   A88        2.08902  -0.00003  -0.00027   0.00000  -0.00027   2.08875
   A89        1.95843   0.00331   0.00109   0.00000   0.00109   1.95952
   A90        1.92979  -0.00210  -0.00160   0.00000  -0.00160   1.92819
   A91        1.90392   0.00007   0.00155   0.00000   0.00155   1.90548
   A92        1.89140  -0.00004   0.00102   0.00000   0.00102   1.89242
   A93        1.93512  -0.00168  -0.00110   0.00000  -0.00110   1.93402
   A94        1.84174   0.00019  -0.00114   0.00000  -0.00114   1.84060
   A95        1.87140   0.00283   0.00542   0.00000   0.00541   1.87681
   A96        1.98999  -0.00512   0.00510   0.00000   0.00510   1.99509
   A97        1.95232   0.00168  -0.00198   0.00000  -0.00198   1.95034
   A98        1.80455  -0.00096  -0.00537   0.00000  -0.00536   1.79920
   A99        1.90196  -0.00112  -0.00324   0.00000  -0.00324   1.89872
   A100       1.93479   0.00259  -0.00035   0.00000  -0.00034   1.93445
   A101       1.92506  -0.00085  -0.00579   0.00000  -0.00579   1.91927
   A102       1.93073   0.00150   0.00476   0.00000   0.00475   1.93548
   A103       1.91376   0.00405  -0.00834   0.00000  -0.00831   1.90545
   A104       1.91206  -0.00340  -0.00008   0.00000  -0.00007   1.91200
   A105       1.95009  -0.00222   0.00903   0.00000   0.00902   1.95910
   A106       1.91881   0.00131  -0.00357   0.00000  -0.00358   1.91523
   A107       1.83601  -0.00143  -0.00235   0.00000  -0.00235   1.83366
   A108       1.94462   0.00088   0.00062   0.00000   0.00063   1.94524
   A109       1.91728  -0.00012   0.00230   0.00000   0.00231   1.91959
   A110       1.92043  -0.00046  -0.00275   0.00000  -0.00275   1.91768
   A111       1.91553   0.00018   0.00140   0.00000   0.00140   1.91693
   A112       1.93313  -0.00063  -0.00251   0.00000  -0.00250   1.93062
   A113       1.82950   0.00008   0.00097   0.00000   0.00097   1.83048
   A114       2.08506   0.00186   0.00297   0.00000   0.00297   2.08804
   A115       2.10527  -0.00099  -0.00194   0.00000  -0.00194   2.10334
   A116       2.09285  -0.00087  -0.00104   0.00000  -0.00104   2.09181
   A117       2.09301   0.00023   0.00059   0.00000   0.00059   2.09360
   A118       2.08713   0.00031   0.00009   0.00000   0.00009   2.08721
   A119       2.10301  -0.00053  -0.00068   0.00000  -0.00068   2.10233
   A120       2.09830   0.00000  -0.00003   0.00000  -0.00003   2.09827
   A121       2.09039   0.00014   0.00023   0.00000   0.00023   2.09062
   A122       2.09450  -0.00014  -0.00021   0.00000  -0.00021   2.09429
   A123       2.09179   0.00000  -0.00018   0.00000  -0.00018   2.09160
   A124       2.09575  -0.00005   0.00002   0.00000   0.00002   2.09577
   A125       2.09565   0.00004   0.00016   0.00000   0.00016   2.09581
   A126       2.09850   0.00020  -0.00004   0.00000  -0.00004   2.09845
   A127       2.09315  -0.00009  -0.00007   0.00000  -0.00007   2.09308
   A128       2.09154  -0.00011   0.00011   0.00000   0.00011   2.09165
   A129       2.09191   0.00044   0.00070   0.00000   0.00070   2.09262
   A130       2.10071  -0.00032  -0.00103   0.00000  -0.00102   2.09969
   A131       2.09056  -0.00011   0.00032   0.00000   0.00032   2.09088
   A132       2.07479   0.01691   0.00345   0.00000   0.00346   2.07825
   A133       1.96297  -0.00639  -0.00658   0.00000  -0.00657   1.95640
   A134       1.99967  -0.00452  -0.00263   0.00000  -0.00263   1.99705
   A135       2.26233  -0.00313   0.00108   0.00000   0.00108   2.26341
   A136       1.90794  -0.01219  -0.00397   0.00000  -0.00397   1.90397
   A137       2.11127   0.01459   0.00268   0.00000   0.00268   2.11395
   A138       1.97464   0.05927   0.01116   0.00000   0.01116   1.98580
   A139       1.86420   0.05514   0.00588   0.00000   0.00589   1.87009
   A140       1.80041  -0.02246  -0.00366   0.00000  -0.00367   1.79674
   A141       1.88107  -0.01368   0.00430   0.00000   0.00433   1.88540
   A142       2.00839  -0.01892  -0.00710   0.00000  -0.00711   2.00129
   A143       1.96793  -0.00289   0.00356   0.00000   0.00359   1.97152
   A144       1.92849   0.00354  -0.00253   0.00000  -0.00253   1.92596
   A145       2.27869  -0.01487  -0.00828   0.00000  -0.00827   2.27041
   A146       2.07684   0.02270   0.01307   0.00000   0.01307   2.08990
   A147       1.92036  -0.00723  -0.00387   0.00000  -0.00385   1.91651
   A148       2.00737   0.00529   0.00279   0.00000   0.00280   2.01017
   A149       2.21844  -0.00234  -0.00387   0.00000  -0.00387   2.21457
   A150       2.05723  -0.00298   0.00114   0.00000   0.00114   2.05836
   A151       1.95136  -0.00141  -0.00173   0.00000  -0.00175   1.94961
   A152       1.97486   0.00102  -0.00024   0.00000  -0.00020   1.97466
   A153       2.18098  -0.00042   0.00067   0.00000   0.00076   2.18174
   A154       2.12364  -0.00050   0.00107   0.00000   0.00116   2.12480
   A155       1.57039   0.00232   0.00317   0.00000   0.00315   1.57354
   A156       1.97333  -0.00174  -0.00500   0.00000  -0.00500   1.96834
   A157       1.92947   0.00068   0.00082   0.00000   0.00082   1.93029
   A158       1.84815   0.00046   0.00029   0.00000   0.00030   1.84844
   A159       1.93616   0.00019   0.00211   0.00000   0.00211   1.93827
   A160       1.89084   0.00025   0.00009   0.00000   0.00009   1.89094
   A161       1.88110   0.00025   0.00187   0.00000   0.00187   1.88297
   A162       1.95278  -0.00011  -0.00540   0.00000  -0.00539   1.94739
   A163       1.97217  -0.00215  -0.00376   0.00000  -0.00376   1.96841
   A164       1.94409  -0.00012   0.00130   0.00000   0.00130   1.94539
   A165       1.83788   0.00158   0.00667   0.00000   0.00668   1.84455
   A166       1.88076  -0.00018  -0.00119   0.00000  -0.00119   1.87957
   A167       1.86986   0.00118   0.00297   0.00000   0.00297   1.87283
   A168       1.92751   0.00037   0.00106   0.00000   0.00106   1.92858
   A169       1.96656   0.00002  -0.00051   0.00000  -0.00051   1.96605
   A170       1.96096   0.00011   0.00049   0.00000   0.00049   1.96145
   A171       1.84796  -0.00002   0.00150   0.00000   0.00150   1.84946
   A172       1.86347  -0.00024  -0.00132   0.00000  -0.00132   1.86215
   A173       1.89109  -0.00027  -0.00124   0.00000  -0.00124   1.88984
   A174       1.91879  -0.00044  -0.00143   0.00000  -0.00143   1.91736
   A175       2.24068  -0.00006  -0.00239   0.00000  -0.00238   2.23830
   A176       2.12371   0.00051   0.00381   0.00000   0.00381   2.12752
   A177       1.57805   0.00004   0.00094   0.00000   0.00094   1.57898
    D1        1.10710   0.00024   0.00894   0.00000   0.00894   1.11604
    D2       -3.01756  -0.00021   0.00683   0.00000   0.00683  -3.01073
    D3       -0.96853   0.00000   0.00767   0.00000   0.00767  -0.96086
    D4       -3.08867   0.00019   0.00792   0.00000   0.00792  -3.08075
    D5       -0.93014  -0.00025   0.00580   0.00000   0.00580  -0.92434
    D6        1.11889  -0.00005   0.00665   0.00000   0.00665   1.12553
    D7       -0.98353   0.00018   0.00738   0.00000   0.00738  -0.97616
    D8        1.17499  -0.00027   0.00526   0.00000   0.00526   1.18026
    D9       -3.05916  -0.00006   0.00610   0.00000   0.00610  -3.05306
   D10        1.01141   0.00002   0.00320   0.00000   0.00320   1.01461
   D11        3.11876  -0.00010   0.00299   0.00000   0.00299   3.12175
   D12       -1.07667  -0.00010   0.00160   0.00000   0.00160  -1.07507
   D13       -1.14204   0.00004   0.00476   0.00000   0.00476  -1.13729
   D14        0.96531  -0.00007   0.00455   0.00000   0.00455   0.96986
   D15        3.05306  -0.00008   0.00316   0.00000   0.00316   3.05622
   D16        3.08624   0.00016   0.00498   0.00000   0.00498   3.09121
   D17       -1.08960   0.00005   0.00477   0.00000   0.00477  -1.08483
   D18        0.99816   0.00004   0.00338   0.00000   0.00338   1.00153
   D19        2.03531   0.00017  -0.00608   0.00000  -0.00608   2.02924
   D20       -1.09568  -0.00009  -0.00809   0.00000  -0.00809  -1.10376
   D21       -2.07920   0.00016  -0.00711   0.00000  -0.00711  -2.08630
   D22        1.07300  -0.00011  -0.00912   0.00000  -0.00912   1.06388
   D23       -0.01863   0.00005  -0.00738   0.00000  -0.00738  -0.02600
   D24        3.13357  -0.00022  -0.00939   0.00000  -0.00939   3.12418
   D25       -3.13677   0.00005   0.00145   0.00000   0.00145  -3.13532
   D26       -0.00496   0.00029   0.00331   0.00000   0.00331  -0.00165
   D27        3.13749  -0.00008  -0.00096   0.00000  -0.00096   3.13653
   D28        0.00509  -0.00031  -0.00270   0.00000  -0.00270   0.00239
   D29        3.13110  -0.00007  -0.00313   0.00000  -0.00313   3.12797
   D30        0.00216  -0.00011  -0.00241   0.00000  -0.00241  -0.00025
   D31        2.08311   0.00035   0.01661   0.00000   0.01661   2.09972
   D32       -2.03065  -0.00051   0.01087   0.00000   0.01087  -2.01978
   D33       -0.02150  -0.00009   0.01544   0.00000   0.01545  -0.00605
   D34       -1.07296   0.00040   0.01582   0.00000   0.01582  -1.05715
   D35        1.09646  -0.00045   0.01008   0.00000   0.01008   1.10654
   D36        3.10562  -0.00003   0.01465   0.00000   0.01465   3.12027
   D37        0.00176  -0.00012   0.00029   0.00000   0.00029   0.00205
   D38       -3.13871   0.00007  -0.00374   0.00000  -0.00374   3.14073
   D39       -3.12563  -0.00017   0.00109   0.00000   0.00109  -3.12454
   D40        0.01708   0.00002  -0.00294   0.00000  -0.00295   0.01413
   D41       -1.21825  -0.00040   0.01037   0.00000   0.01037  -1.20788
   D42        1.29282   0.00023   0.00360   0.00000   0.00360   1.29642
   D43        2.90252  -0.00052   0.01560   0.00000   0.01561   2.91813
   D44       -0.86959   0.00011   0.00883   0.00000   0.00883  -0.86076
   D45        0.91294  -0.00021   0.01027   0.00000   0.01028   0.92322
   D46       -2.85917   0.00042   0.00350   0.00000   0.00350  -2.85567
   D47       -1.16176  -0.00003  -0.00940   0.00000  -0.00940  -1.17116
   D48        3.05055   0.00010  -0.00672   0.00000  -0.00672   3.04383
   D49        0.94579  -0.00002  -0.00917   0.00000  -0.00917   0.93662
   D50        2.56908  -0.00006  -0.00216   0.00000  -0.00216   2.56692
   D51        0.49821   0.00007   0.00052   0.00000   0.00052   0.49873
   D52       -1.60655  -0.00005  -0.00192   0.00000  -0.00193  -1.60848
   D53       -2.74282  -0.00160   0.00285   0.00000   0.00285  -2.73997
   D54        0.39969   0.00007   0.01034   0.00000   0.01034   0.41003
   D55       -0.23464  -0.00167  -0.00540   0.00000  -0.00540  -0.24004
   D56        2.90787   0.00000   0.00209   0.00000   0.00209   2.90996
   D57        2.87355  -0.00229   0.00764   0.00000   0.00764   2.88118
   D58        0.39497  -0.00104   0.01034   0.00000   0.01034   0.40531
   D59       -0.26714  -0.00064   0.01505   0.00000   0.01505  -0.25208
   D60       -2.74571   0.00061   0.01775   0.00000   0.01775  -2.72796
   D61       -1.44699  -0.00057  -0.01985   0.00000  -0.01986  -1.46685
   D62        2.69373   0.00050  -0.01475   0.00000  -0.01475   2.67898
   D63        0.63137   0.00030  -0.01445   0.00000  -0.01445   0.61692
   D64        1.05912  -0.00108  -0.02112   0.00000  -0.02112   1.03799
   D65       -1.08335  -0.00001  -0.01602   0.00000  -0.01601  -1.09937
   D66        3.13747  -0.00022  -0.01571   0.00000  -0.01572   3.12176
   D67       -0.53072  -0.00017  -0.02390   0.00000  -0.02390  -0.55462
   D68        2.58855   0.00150  -0.00752   0.00000  -0.00752   2.58103
   D69        1.59372  -0.00131  -0.03264   0.00000  -0.03263   1.56109
   D70       -1.57019   0.00035  -0.01625   0.00000  -0.01625  -1.58644
   D71       -2.59315  -0.00033  -0.02568   0.00000  -0.02569  -2.61884
   D72        0.52612   0.00134  -0.00930   0.00000  -0.00931   0.51681
   D73        1.07842  -0.00046  -0.00144   0.00000  -0.00144   1.07698
   D74       -3.02217  -0.00099  -0.00178   0.00000  -0.00178  -3.02394
   D75       -0.98933  -0.00010   0.00102   0.00000   0.00102  -0.98831
   D76       -1.05632   0.00181   0.00635   0.00000   0.00635  -1.04997
   D77        1.12628   0.00128   0.00601   0.00000   0.00601   1.13229
   D78       -3.12406   0.00217   0.00881   0.00000   0.00881  -3.11526
   D79        3.12757  -0.00004  -0.00296   0.00000  -0.00296   3.12461
   D80       -0.97301  -0.00057  -0.00330   0.00000  -0.00330  -0.97631
   D81        1.05983   0.00033  -0.00051   0.00000  -0.00050   1.05933
   D82        3.09182  -0.00099  -0.00800   0.00000  -0.00800   3.08381
   D83        0.06103  -0.00006  -0.00973   0.00000  -0.00973   0.05130
   D84       -0.07159   0.00067   0.00801   0.00000   0.00801  -0.06358
   D85       -3.10238   0.00160   0.00628   0.00000   0.00628  -3.09610
   D86        2.58282   0.00055   0.01611   0.00000   0.01611   2.59893
   D87       -1.52979   0.00172   0.01668   0.00000   0.01668  -1.51311
   D88        0.53932   0.00093   0.01721   0.00000   0.01721   0.55653
   D89       -0.66452  -0.00032   0.01781   0.00000   0.01781  -0.64671
   D90        1.50606   0.00085   0.01838   0.00000   0.01838   1.52443
   D91       -2.70801   0.00006   0.01890   0.00000   0.01890  -2.68911
   D92        1.04617  -0.00125   0.00073   0.00000   0.00073   1.04690
   D93       -1.10404  -0.00120   0.00058   0.00000   0.00058  -1.10346
   D94       -3.07652  -0.00132  -0.00083   0.00000  -0.00083  -3.07735
   D95       -1.11593   0.00093   0.00054   0.00000   0.00054  -1.11539
   D96        3.01704   0.00099   0.00039   0.00000   0.00039   3.01743
   D97        1.04457   0.00087  -0.00102   0.00000  -0.00102   1.04354
   D98        3.07353   0.00027   0.00150   0.00000   0.00149   3.07502
   D99        0.92332   0.00033   0.00134   0.00000   0.00134   0.92466
   D100      -1.04916   0.00021  -0.00007   0.00000  -0.00007  -1.04923
   D101       1.25440   0.00104   0.01155   0.00000   0.01155   1.26595
   D102      -0.85949   0.00030   0.01062   0.00000   0.01062  -0.84887
   D103      -2.87737   0.00120   0.01200   0.00000   0.01200  -2.86537
   D104      -2.88104   0.00028   0.01124   0.00000   0.01124  -2.86980
   D105       1.28825  -0.00046   0.01032   0.00000   0.01032   1.29857
   D106      -0.72963   0.00045   0.01170   0.00000   0.01170  -0.71793
   D107      -0.79316   0.00052   0.00975   0.00000   0.00976  -0.78340
   D108      -2.90705  -0.00022   0.00883   0.00000   0.00883  -2.89822
   D109       1.35825   0.00069   0.01021   0.00000   0.01021   1.36846
   D110      -1.66745   0.00001  -0.00265   0.00000  -0.00265  -1.67010
   D111       1.48409  -0.00002  -0.00268   0.00000  -0.00268   1.48142
   D112       0.46931  -0.00006  -0.00174   0.00000  -0.00174   0.46757
   D113      -2.66233  -0.00010  -0.00177   0.00000  -0.00177  -2.66410
   D114       2.46681   0.00023  -0.00123   0.00000  -0.00123   2.46558
   D115      -0.66484   0.00020  -0.00125   0.00000  -0.00125  -0.66609
   D116       3.14070   0.00000  -0.00015   0.00000  -0.00015   3.14055
   D117      -0.01512  -0.00004  -0.00047   0.00000  -0.00047  -0.01559
   D118      -0.01074   0.00004  -0.00013   0.00000  -0.00013  -0.01086
   D119       3.11663   0.00000  -0.00045   0.00000  -0.00045   3.11619
   D120      -3.14060   0.00001   0.00018   0.00000   0.00018  -3.14042
   D121       0.00755   0.00001  -0.00001   0.00000  -0.00001   0.00754
   D122       0.01090  -0.00002   0.00016   0.00000   0.00016   0.01105
   D123      -3.12413  -0.00002  -0.00003   0.00000  -0.00003  -3.12416
   D124       0.00259  -0.00003   0.00003   0.00000   0.00003   0.00262
   D125       3.14055  -0.00005  -0.00016   0.00000  -0.00016   3.14039
   D126      -3.12486   0.00001   0.00035   0.00000   0.00035  -3.12451
   D127       0.01310  -0.00001   0.00016   0.00000   0.00016   0.01326
   D128       0.00545   0.00000   0.00004   0.00000   0.00004   0.00549
   D129      -3.14061  -0.00002  -0.00009   0.00000  -0.00009  -3.14070
   D130      -3.13250   0.00003   0.00023   0.00000   0.00023  -3.13228
   D131       0.00462   0.00000   0.00010   0.00000   0.00010   0.00472
   D132      -0.00529   0.00001   0.00000   0.00000   0.00000  -0.00529
   D133       3.13398   0.00000   0.00006   0.00000   0.00006   3.13404
   D134       3.14077   0.00003   0.00013   0.00000   0.00013   3.14089
   D135      -0.00315   0.00002   0.00019   0.00000   0.00019  -0.00296
   D136      -0.00291   0.00000  -0.00009   0.00000  -0.00009  -0.00301
   D137       3.13215   0.00000   0.00009   0.00000   0.00009   3.13224
   D138       3.14100   0.00001  -0.00016   0.00000  -0.00016   3.14084
   D139      -0.00712   0.00001   0.00003   0.00000   0.00003  -0.00709
   D140      -1.80491   0.00010   0.01009   0.00000   0.01009  -1.79482
   D141       2.49200   0.00224   0.01048   0.00000   0.01048   2.50248
   D142       0.27929   0.00151   0.00840   0.00000   0.00840   0.28769
   D143       0.33092  -0.00042   0.00949   0.00000   0.00949   0.34041
   D144      -1.65536   0.00172   0.00988   0.00000   0.00988  -1.64548
   D145       2.41512   0.00099   0.00780   0.00000   0.00780   2.42291
   D146       2.34449  -0.00113   0.00811   0.00000   0.00810   2.35260
   D147       0.35821   0.00101   0.00849   0.00000   0.00850   0.36671
   D148      -1.85449   0.00028   0.00641   0.00000   0.00641  -1.84808
   D149       1.68320   0.00313  -0.01789   0.00000  -0.01790   1.66531
   D150      -2.49184  -0.00190  -0.01228   0.00000  -0.01227  -2.50411
   D151      -0.43304   0.00008  -0.01684   0.00000  -0.01685  -0.44989
   D152      -1.15696  -0.00028   0.00106   0.00000   0.00107  -1.15589
   D153       2.96773  -0.00128  -0.00782   0.00000  -0.00782   2.95991
   D154       0.96109   0.00008  -0.00038   0.00000  -0.00037   0.96071
   D155       3.10058  -0.00061  -0.00458   0.00000  -0.00457   3.09601
   D156       0.94208  -0.00161  -0.01345   0.00000  -0.01346   0.92862
   D157      -1.06456  -0.00024  -0.00601   0.00000  -0.00602  -1.07058
   D158       1.06484   0.00003   0.00224   0.00000   0.00225   1.06709
   D159      -1.09367  -0.00097  -0.00663   0.00000  -0.00664  -1.10031
   D160      -3.10031   0.00039   0.00081   0.00000   0.00081  -3.09950
   D161       2.95123  -0.00279  -0.00834   0.00000  -0.00833   2.94290
   D162      -1.20540  -0.00205  -0.00456   0.00000  -0.00455  -1.20995
   D163       0.80011  -0.00228  -0.00364   0.00000  -0.00363   0.79649
   D164      -1.19453   0.00192  -0.00925   0.00000  -0.00926  -1.20379
   D165       0.93203   0.00266  -0.00547   0.00000  -0.00548   0.92655
   D166       2.93754   0.00243  -0.00455   0.00000  -0.00456   2.93298
   D167       0.83718  -0.00038  -0.00897   0.00000  -0.00897   0.82821
   D168       2.96373   0.00037  -0.00519   0.00000  -0.00519   2.95854
   D169      -1.31394   0.00014  -0.00427   0.00000  -0.00427  -1.31821
   D170       1.11181   0.00704   0.03229   0.00000   0.03230   1.14412
   D171      -1.29505   0.00204   0.04082   0.00000   0.04084  -1.25421
   D172      -1.03530   0.00378   0.02599   0.00000   0.02598  -1.00932
   D173       2.84102  -0.00121   0.03452   0.00000   0.03452   2.87554
   D174      -3.11668   0.00427   0.02691   0.00000   0.02690  -3.08978
   D175       0.75964  -0.00072   0.03544   0.00000   0.03543   0.79508
   D176       1.63686   0.00039   0.00349   0.00000   0.00349   1.64034
   D177      -1.50420   0.00033   0.00200   0.00000   0.00200  -1.50220
   D178      -0.49071  -0.00017  -0.00081   0.00000  -0.00081  -0.49152
   D179       2.65142  -0.00024  -0.00230   0.00000  -0.00230   2.64912
   D180      -2.50247  -0.00002  -0.00137   0.00000  -0.00137  -2.50384
   D181       0.63965  -0.00008  -0.00285   0.00000  -0.00285   0.63680
   D182       3.13740  -0.00002  -0.00090   0.00000  -0.00090   3.13650
   D183      -0.01397   0.00004  -0.00096   0.00000  -0.00096  -0.01492
   D184      -0.00472   0.00005   0.00058   0.00000   0.00058  -0.00415
   D185       3.12710   0.00011   0.00052   0.00000   0.00051   3.12761
   D186      -3.13685   0.00001   0.00091   0.00000   0.00092  -3.13593
   D187       0.00370   0.00004   0.00161   0.00000   0.00161   0.00531
   D188       0.00528  -0.00006  -0.00057   0.00000  -0.00057   0.00471
   D189      -3.13736  -0.00003   0.00012   0.00000   0.00012  -3.13724
   D190       0.00056   0.00000  -0.00026   0.00000  -0.00026   0.00030
   D191       3.14058   0.00002  -0.00031   0.00000  -0.00031   3.14027
   D192      -3.13117  -0.00007  -0.00020   0.00000  -0.00020  -3.13137
   D193       0.00885  -0.00005  -0.00026   0.00000  -0.00025   0.00860
   D194       0.00305  -0.00003  -0.00006   0.00000  -0.00006   0.00299
   D195      -3.14029   0.00001  -0.00005   0.00000  -0.00005  -3.14035
   D196      -3.13697  -0.00005  -0.00001   0.00000  -0.00001  -3.13698
   D197       0.00287  -0.00001   0.00000   0.00000   0.00000   0.00287
   D198      -0.00249   0.00002   0.00007   0.00000   0.00007  -0.00242
   D199       3.13915   0.00002  -0.00020   0.00000  -0.00020   3.13895
   D200       3.14086  -0.00002   0.00006   0.00000   0.00006   3.14091
   D201      -0.00069  -0.00002  -0.00021   0.00000  -0.00021  -0.00090
   D202      -0.00168   0.00002   0.00025   0.00000   0.00025  -0.00143
   D203       3.14096  -0.00001  -0.00044   0.00000  -0.00044   3.14052
   D204       3.13987   0.00002   0.00052   0.00000   0.00052   3.14039
   D205      -0.00068  -0.00001  -0.00017   0.00000  -0.00017  -0.00085
   D206       0.58804   0.00369   0.04611   0.00000   0.04611   0.63415
   D207      -2.61582  -0.00958   0.04243   0.00000   0.04243  -2.57339
   D208       2.98026   0.00829   0.03589   0.00000   0.03590   3.01616
   D209      -0.22361  -0.00498   0.03222   0.00000   0.03222  -0.19139
   D210       3.07349   0.01265  -0.01812   0.00000  -0.01812   3.05537
   D211      -0.12404   0.00010  -0.02146   0.00000  -0.02146  -0.14550
   D212      -1.13735  -0.01952  -0.07774   0.00000  -0.07772  -1.21507
   D213       3.02206  -0.01213  -0.07048   0.00000  -0.07048   2.95158
   D214       0.98167   0.00042  -0.06767   0.00000  -0.06769   0.91398
   D215      -1.85721   0.00529   0.08610   0.00000   0.08610  -1.77112
   D216       1.14063   0.01103   0.09557   0.00000   0.09555   1.23618
   D217       0.12929   0.00311   0.08154   0.00000   0.08155   0.21085
   D218       3.12714   0.00885   0.09101   0.00000   0.09101  -3.06504
   D219       2.36296  -0.01150   0.07488   0.00000   0.07490   2.43786
   D220      -0.92238  -0.00577   0.08435   0.00000   0.08435  -0.83803
   D221       3.03857   0.00761   0.00361   0.00000   0.00364   3.04222
   D222      -0.12206   0.00519   0.00870   0.00000   0.00873  -0.11333
   D223       0.03074   0.00024  -0.00624   0.00000  -0.00624   0.02450
   D224      -3.12988  -0.00219  -0.00114   0.00000  -0.00116  -3.13104
   D225      -3.04711  -0.00438  -0.00020   0.00000  -0.00015  -3.04726
   D226      -0.02162  -0.00094   0.00685   0.00000   0.00686  -0.01476
   D227      -0.02509   0.00092   0.00157   0.00000   0.00157  -0.02352
   D228       3.13368   0.00310  -0.00300   0.00000  -0.00297   3.13070
   D229       0.00721  -0.00180   0.00388   0.00000   0.00387   0.01109
   D230      -3.04292  -0.00302  -0.02061   0.00000  -0.02061  -3.06353
   D231       0.00829   0.00166  -0.00627   0.00000  -0.00625   0.00204
   D232       3.06182   0.00284   0.01730   0.00000   0.01731   3.07912
   D233      -1.09797  -0.00015  -0.01538   0.00000  -0.01538  -1.11335
   D234       0.97287   0.00032  -0.01315   0.00000  -0.01316   0.95971
   D235       3.07881   0.00023  -0.01103   0.00000  -0.01103   3.06778
   D236       3.00624   0.00012  -0.01431   0.00000  -0.01431   2.99193
   D237      -1.20610   0.00059  -0.01209   0.00000  -0.01209  -1.21820
   D238       0.89984   0.00050  -0.00996   0.00000  -0.00996   0.88987
   D239       0.94479  -0.00045  -0.01788   0.00000  -0.01788   0.92691
   D240       3.01563   0.00002  -0.01566   0.00000  -0.01566   2.99997
   D241      -1.16161  -0.00006  -0.01353   0.00000  -0.01353  -1.17514
   D242       2.97349   0.00080   0.00235   0.00000   0.00235   2.97584
   D243      -1.24714   0.00104   0.00463   0.00000   0.00463  -1.24252
   D244       0.89500   0.00078   0.00297   0.00000   0.00297   0.89797
   D245      -1.10616  -0.00082  -0.00198   0.00000  -0.00198  -1.10814
   D246       0.95639  -0.00058   0.00030   0.00000   0.00030   0.95669
   D247       3.09853  -0.00084  -0.00136   0.00000  -0.00136   3.09718
   D248       0.96120  -0.00025   0.00049   0.00000   0.00049   0.96169
   D249       3.02375  -0.00001   0.00277   0.00000   0.00277   3.02652
   D250      -1.11730  -0.00027   0.00112   0.00000   0.00112  -1.11618
   D251      -0.00369   0.00023   0.00127   0.00000   0.00127  -0.00242
   D252       3.13687   0.00006   0.00501   0.00000   0.00500  -3.14131
         Item               Value     Threshold  Converged?
 Maximum Force            0.059273     0.000450     NO 
 RMS     Force            0.004783     0.000300     NO 
 Maximum Displacement     0.331381     0.001800     NO 
 RMS     Displacement     0.048321     0.001200     NO 
 Predicted change in Energy=-2.166425D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.602994   -2.084076    1.307117
      2          6           0       -9.293823   -1.209057    0.087845
      3          6           0      -10.224543    0.004758    0.008286
      4          6           0       -7.861140   -0.776088    0.111518
      5          7           0       -6.936508   -1.085416   -0.764862
      6          6           0       -5.674384   -0.516486   -0.444642
      7          6           0       -4.528138   -0.817618   -1.370875
      8          7           0       -3.922487    0.393405   -1.985240
      9          6           0       -4.802233    1.076917   -2.974013
     10          6           0       -3.091113    1.262544   -1.225811
     11          8           0       -2.921650    2.435923   -1.544217
     12          7           0       -2.447147    0.716805   -0.077635
     13          6           0       -1.335209    1.512279    0.499578
     14          6           0       -0.019250    1.214160   -0.250867
     15          8           0        0.227559    0.116856   -0.746097
     16          7           0        0.891110    2.254177   -0.354362
     17          6           0        2.218720    2.046301   -0.994565
     18          6           0        2.679601    3.357118   -1.672611
     19          6           0        2.826618    4.526549   -0.739473
     20          6           0        1.774142    5.444152   -0.595784
     21          6           0        1.905437    6.531929    0.271139
     22          6           0        3.085822    6.714822    0.997780
     23          6           0        4.139306    5.807563    0.849032
     24          6           0        4.013775    4.718022   -0.016635
     25          6           0        3.252518    1.528319    0.024422
     26          6           0        3.002396    0.070554    0.413939
     27          8           0        2.383697    0.068926    1.718042
     28          6           0        4.299261   -0.765731    0.637407
     29          6           0        5.075949   -0.933725   -0.676813
     30          6           0        6.449784   -1.491862   -0.435687
     31          6           0        6.661263   -2.875854   -0.522415
     32          6           0        7.936637   -3.401178   -0.305582
     33          6           0        9.005811   -2.551645   -0.001409
     34          6           0        8.794608   -1.172528    0.089005
     35          6           0        7.520258   -0.640077   -0.126225
     36          7           0        3.934319   -2.087571    1.256379
     37          6           0        3.162572   -3.004561    0.510523
     38          8           0        3.182155   -3.247133   -0.679511
     39          8           0        2.347301   -3.731365    1.382551
     40          6           0        1.418485   -4.635119    0.705719
     41          6           0        0.413704   -3.796884    0.026247
     42          6           0       -0.870626   -3.491471    0.389190
     43          7           0       -1.519314   -2.551824   -0.436220
     44          6           0       -0.728188   -2.122423   -1.402966
     45         16           0        0.869595   -2.863856   -1.370725
     46          6           0       -1.205958    1.183192    2.021115
     47          6           0       -0.872445   -0.293269    2.284090
     48          6           0       -0.182189    2.104521    2.685756
     49          6           0       -5.649124    0.235686    0.694583
     50         16           0       -7.226106    0.257953    1.421879
     51          1           0      -10.608089   -2.515255    1.233231
     52          1           0       -8.894258   -2.917731    1.393131
     53          1           0       -9.560987   -1.519743    2.246298
     54          1           0       -9.447643   -1.831825   -0.839637
     55          1           0      -10.168210    0.635006    0.903842
     56          1           0       -9.985858    0.638238   -0.854939
     57          1           0      -11.269074   -0.311773   -0.096457
     58          1           0       -3.746495   -1.409251   -0.823478
     59          1           0       -4.871632   -1.482059   -2.204677
     60          1           0       -4.928224    0.417171   -3.847213
     61          1           0       -4.332939    2.019682   -3.314781
     62          1           0       -5.795907    1.319881   -2.564033
     63          1           0       -2.297619   -0.307211   -0.036719
     64          1           0       -1.597759    2.604942    0.380996
     65          1           0        0.724069    3.159599    0.081951
     66          1           0        2.076965    1.267036   -1.796039
     67          1           0        1.959388    3.608085   -2.482901
     68          1           0        3.637844    3.169343   -2.201928
     69          1           0        0.856373    5.319798   -1.169273
     70          1           0        1.085399    7.241460    0.377580
     71          1           0        3.186207    7.562071    1.673190
     72          1           0        5.063197    5.950847    1.408294
     73          1           0        4.842705    4.023145   -0.131480
     74          1           0        3.232351    2.147007    0.947428
     75          1           0        4.270446    1.654871   -0.393661
     76          1           0        2.318839   -0.440670   -0.309977
     77          1           0        1.390521    0.017840    1.624313
     78          1           0        4.949292   -0.255474    1.400074
     79          1           0        4.511014   -1.603332   -1.371675
     80          1           0        5.136975    0.038979   -1.205608
     81          1           0        5.822479   -3.535974   -0.750575
     82          1           0        8.097387   -4.475926   -0.372375
     83          1           0        9.998383   -2.963170    0.165885
     84          1           0        9.624845   -0.510628    0.327975
     85          1           0        7.363885    0.432642   -0.053198
     86          1           0        3.641949   -1.987119    2.248852
     87          1           0        1.021667   -5.250262    1.536001
     88          1           0        2.002937   -5.265484    0.003404
     89          1           0       -1.426660   -3.903571    1.224484
     90          1           0       -0.984024   -1.345853   -2.119545
     91          1           0       -2.209814    1.403504    2.469580
     92          1           0       -1.680715   -0.958198    1.941789
     93          1           0        0.034134   -0.627640    1.752213
     94          1           0       -0.713467   -0.484432    3.351069
     95          1           0       -0.213293    1.989926    3.776983
     96          1           0        0.850175    1.875190    2.387040
     97          1           0       -0.373840    3.161285    2.475023
     98          1           0       -4.812886    0.758391    1.131009
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0800199      0.0287831      0.0231072
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3650.1867357255 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.255860510003     A.U. after   19 cycles
             Convg  =    0.5556D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000079550   -0.000239859   -0.000037068
      2        6          -0.000125521    0.000037368    0.000181400
      3        6          -0.000162837   -0.000119440    0.000153075
      4        6           0.000170603    0.000035737    0.000515388
      5        7          -0.000247407   -0.000447195   -0.000605597
      6        6           0.000097713    0.000438838    0.000017002
      7        6           0.000021709   -0.000994432   -0.000484113
      8        7          -0.001167703   -0.000554671    0.001253319
      9        6           0.000095402    0.000338338    0.000584949
     10        6           0.002784450   -0.001234912    0.000227935
     11        8          -0.001808932    0.001081909    0.001515191
     12        7          -0.001892239   -0.001828227   -0.000033317
     13        6          -0.000471630    0.001048623    0.001274167
     14        6           0.001932551    0.000869491   -0.000835052
     15        8          -0.000144111    0.000302962    0.000647190
     16        7           0.001540892   -0.000963548    0.001510757
     17        6          -0.000143411   -0.000717036   -0.001846255
     18        6           0.000167822    0.000737100   -0.000161521
     19        6          -0.000091487    0.000346482    0.000264750
     20        6           0.000356171   -0.000106432    0.000081018
     21        6           0.000257414   -0.000130382   -0.000029245
     22        6           0.000095693   -0.000223086    0.000080566
     23        6          -0.000238986   -0.000182419    0.000101030
     24        6          -0.000277425   -0.000095461    0.000062610
     25        6          -0.001058286   -0.001298732   -0.001319881
     26        6          -0.000355384    0.001581911    0.002734757
     27        8           0.000796219   -0.000060105    0.001281455
     28        6           0.001320180    0.002730303    0.003970817
     29        6           0.000486871    0.001603277    0.000279348
     30        6          -0.000272555   -0.000291722   -0.000257518
     31        6          -0.000452649    0.000308681    0.000355914
     32        6          -0.000260055    0.000224214    0.000188570
     33        6          -0.000122531   -0.000084502    0.000051140
     34        6          -0.000118983   -0.000064448    0.000009205
     35        6          -0.000155324   -0.000152071   -0.000134539
     36        7           0.003941645    0.007187855   -0.001734044
     37        6          -0.000656359   -0.015222815    0.005362037
     38        8          -0.001536512    0.001280598   -0.005190732
     39        8          -0.003858704   -0.003365317   -0.000694482
     40        6          -0.001055991    0.002448705   -0.001380542
     41        6           0.004172780   -0.000105703    0.003513954
     42        6          -0.000256628    0.002814084    0.000062362
     43        7           0.001110736   -0.000894930   -0.000797828
     44        6           0.000213109    0.000156127    0.001128048
     45       16          -0.000782771   -0.000683093   -0.003158309
     46        6          -0.001230867    0.003103203    0.000214184
     47        6           0.002622246   -0.000596166   -0.003877783
     48        6          -0.000365627    0.000513579    0.000069645
     49        6          -0.000081202    0.000203711    0.000497135
     50       16          -0.000105391    0.000155397   -0.000631249
     51        1           0.000079269    0.000027385    0.000010546
     52        1           0.000072092    0.000070620   -0.000079081
     53        1          -0.000045030    0.000011646   -0.000049004
     54        1          -0.000114870    0.000057489   -0.000100713
     55        1          -0.000140331    0.000002010    0.000013946
     56        1          -0.000094050   -0.000027470   -0.000058345
     57        1           0.000037258    0.000075264   -0.000044568
     58        1           0.000398989   -0.000081287   -0.001215583
     59        1          -0.000093920    0.000192136    0.000093905
     60        1           0.000005076    0.000214700   -0.000133697
     61        1          -0.000103335   -0.000042827   -0.000128168
     62        1          -0.000011297    0.000033794    0.000111329
     63        1           0.000874383   -0.001551158   -0.000977099
     64        1           0.000029584    0.000297742    0.000435532
     65        1          -0.000325704    0.000282424    0.000584966
     66        1          -0.001179823    0.001249941   -0.000826972
     67        1           0.000092923    0.000198492   -0.000271209
     68        1           0.000099742    0.000085307    0.000154236
     69        1           0.000088388    0.000106945   -0.000060464
     70        1          -0.000018576    0.000000126   -0.000038596
     71        1           0.000014985   -0.000000764   -0.000043600
     72        1           0.000039103   -0.000019061   -0.000010486
     73        1          -0.000030406    0.000008405    0.000017973
     74        1          -0.000123264   -0.000808756   -0.000178392
     75        1           0.000015598   -0.000285165    0.000254807
     76        1          -0.000371939    0.000158563   -0.000103603
     77        1          -0.001225148    0.000106161    0.000408923
     78        1           0.000474845    0.000046843    0.000284182
     79        1           0.000298319    0.000123006   -0.000180419
     80        1          -0.000151482   -0.000277511   -0.000016348
     81        1          -0.000191386    0.000108717    0.000022115
     82        1          -0.000096888   -0.000027129    0.000002460
     83        1          -0.000023809    0.000036281    0.000014074
     84        1           0.000015227   -0.000008266   -0.000011461
     85        1           0.000029950    0.000003638   -0.000001839
     86        1          -0.001114708    0.001523261   -0.003195387
     87        1           0.000181698   -0.001927381   -0.000571406
     88        1           0.000145863    0.001536416    0.001131591
     89        1           0.000298206   -0.000030175   -0.000174902
     90        1          -0.000285372    0.001341984   -0.000205823
     91        1           0.000471364    0.000949594    0.000829920
     92        1          -0.000198864   -0.001373180    0.000487068
     93        1          -0.000376133   -0.000813588   -0.000724019
     94        1           0.000715232    0.000148077   -0.000050469
     95        1           0.000069498   -0.000364312    0.000344415
     96        1          -0.000564829   -0.000083545   -0.000384466
     97        1          -0.000165032   -0.000026033   -0.000212362
     98        1          -0.000108541   -0.000141148   -0.000133349
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.015222815 RMS     0.001456663

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.012777355 RMS     0.001382763
 Search for a local minimum.
 Step number  51 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   50   49   51
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00099   0.00150   0.00205   0.00245   0.00316
     Eigenvalues ---    0.00370   0.00466   0.00529   0.00554   0.00608
     Eigenvalues ---    0.00728   0.00758   0.00869   0.00936   0.00952
     Eigenvalues ---    0.00988   0.01055   0.01166   0.01199   0.01257
     Eigenvalues ---    0.01275   0.01312   0.01394   0.01435   0.01452
     Eigenvalues ---    0.01502   0.01503   0.01607   0.01712   0.01742
     Eigenvalues ---    0.01758   0.01868   0.01927   0.02082   0.02104
     Eigenvalues ---    0.02194   0.02203   0.02207   0.02220   0.02257
     Eigenvalues ---    0.02268   0.02289   0.02320   0.02335   0.02372
     Eigenvalues ---    0.02404   0.02408   0.02414   0.02449   0.02482
     Eigenvalues ---    0.02485   0.02527   0.02528   0.02546   0.02653
     Eigenvalues ---    0.02699   0.02729   0.02964   0.03166   0.03397
     Eigenvalues ---    0.03763   0.04002   0.04049   0.04142   0.04226
     Eigenvalues ---    0.04363   0.04536   0.04702   0.04867   0.04957
     Eigenvalues ---    0.05036   0.05142   0.05189   0.05215   0.05335
     Eigenvalues ---    0.05399   0.05434   0.05468   0.05502   0.05580
     Eigenvalues ---    0.05624   0.05702   0.05728   0.05782   0.05811
     Eigenvalues ---    0.05859   0.05917   0.05984   0.05995   0.06082
     Eigenvalues ---    0.06459   0.06644   0.06752   0.06971   0.07073
     Eigenvalues ---    0.07517   0.07774   0.08177   0.08390   0.08669
     Eigenvalues ---    0.08715   0.09366   0.09713   0.09902   0.10304
     Eigenvalues ---    0.11865   0.12884   0.13153   0.13199   0.13434
     Eigenvalues ---    0.13786   0.13832   0.14143   0.14613   0.15509
     Eigenvalues ---    0.15649   0.15734   0.15937   0.15960   0.15978
     Eigenvalues ---    0.15984   0.15987   0.15996   0.15998   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16003   0.16007
     Eigenvalues ---    0.16017   0.16027   0.16032   0.16059   0.16081
     Eigenvalues ---    0.16118   0.16180   0.16229   0.16883   0.16909
     Eigenvalues ---    0.17294   0.17639   0.18005   0.18486   0.18595
     Eigenvalues ---    0.19108   0.19398   0.20138   0.20521   0.21515
     Eigenvalues ---    0.21705   0.21878   0.22000   0.22001   0.22002
     Eigenvalues ---    0.22022   0.22167   0.22272   0.22690   0.23094
     Eigenvalues ---    0.23428   0.23484   0.23599   0.23686   0.24025
     Eigenvalues ---    0.24087   0.24521   0.24631   0.24742   0.24921
     Eigenvalues ---    0.24997   0.25060   0.25106   0.25544   0.25585
     Eigenvalues ---    0.26731   0.27116   0.28884   0.29321   0.29753
     Eigenvalues ---    0.29810   0.29910   0.30107   0.30190   0.30292
     Eigenvalues ---    0.30483   0.30688   0.30879   0.30956   0.31324
     Eigenvalues ---    0.31394   0.31433   0.31498   0.31630   0.31710
     Eigenvalues ---    0.31758   0.31982   0.32045   0.32298   0.32402
     Eigenvalues ---    0.32542   0.32567   0.32699   0.32766   0.32771
     Eigenvalues ---    0.32840   0.32912   0.32919   0.33008   0.33054
     Eigenvalues ---    0.33078   0.33189   0.33212   0.33294   0.33557
     Eigenvalues ---    0.33592   0.33657   0.33674   0.33706   0.33853
     Eigenvalues ---    0.33957   0.33993   0.34106   0.34139   0.34241
     Eigenvalues ---    0.34335   0.34368   0.34406   0.34462   0.34516
     Eigenvalues ---    0.34706   0.35106   0.35260   0.36246   0.36251
     Eigenvalues ---    0.36312   0.36375   0.36608   0.36633   0.36841
     Eigenvalues ---    0.36954   0.37487   0.38291   0.38812   0.39481
     Eigenvalues ---    0.40192   0.40709   0.41272   0.42033   0.42476
     Eigenvalues ---    0.42901   0.43273   0.43818   0.44021   0.44618
     Eigenvalues ---    0.44973   0.45205   0.47078   0.47444   0.47853
     Eigenvalues ---    0.48353   0.48504   0.48637   0.48947   0.49123
     Eigenvalues ---    0.49295   0.50082   0.50473   0.50924   0.51248
     Eigenvalues ---    0.51409   0.55944   0.56932   0.59279   0.60239
     Eigenvalues ---    0.63041   0.65236   0.76689   0.78306   0.81975
     Eigenvalues ---    0.91692   1.10069   1.899461000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-3.79646070D-03 EMin= 9.92572974D-04
 Quartic linear search produced a step of  0.00103.
 Iteration  1 RMS(Cart)=  0.14035018 RMS(Int)=  0.00305249
 Iteration  2 RMS(Cart)=  0.01064389 RMS(Int)=  0.00005318
 Iteration  3 RMS(Cart)=  0.00004904 RMS(Int)=  0.00005039
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00005039
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89558  -0.00016   0.00000   0.00173   0.00173   2.89731
    R2        2.07146   0.00008   0.00000  -0.00024  -0.00024   2.07123
    R3        2.07413  -0.00007   0.00000  -0.00199  -0.00199   2.07214
    R4        2.07207  -0.00004   0.00000   0.00121   0.00121   2.07328
    R5        2.89438  -0.00030   0.00000  -0.00208  -0.00208   2.89229
    R6        2.82867  -0.00052   0.00000  -0.00082  -0.00082   2.82785
    R7        2.13106   0.00011   0.00000   0.00170   0.00170   2.13276
    R8        2.07217  -0.00003   0.00000   0.00113   0.00113   2.07330
    R9        2.07304   0.00007   0.00000  -0.00044  -0.00044   2.07261
   R10        2.07200   0.00007   0.00000   0.00073   0.00073   2.07272
   R11        2.47739  -0.00013   0.00000  -0.00087  -0.00088   2.47652
   R12        3.37492  -0.00020   0.00000  -0.00031  -0.00031   3.37461
   R13        2.68526  -0.00067   0.00000   0.00373   0.00373   2.68899
   R14        2.84243  -0.00092   0.00000  -0.00155  -0.00155   2.84089
   R15        2.58017  -0.00021   0.00000  -0.00081  -0.00080   2.57937
   R16        2.80981  -0.00209   0.00000  -0.00086  -0.00086   2.80895
   R17        2.12175  -0.00108   0.00000   0.00340   0.00340   2.12515
   R18        2.11674   0.00016   0.00000  -0.00005  -0.00005   2.11669
   R19        2.81488  -0.00023   0.00000  -0.00299  -0.00299   2.81188
   R20        2.68801  -0.00114   0.00000  -0.00018  -0.00018   2.68783
   R21        2.08180   0.00024   0.00000   0.00091   0.00091   2.08271
   R22        2.09169   0.00014   0.00000  -0.00049  -0.00049   2.09120
   R23        2.08256   0.00002   0.00000  -0.00006  -0.00006   2.08250
   R24        2.31976  -0.00211   0.00000  -0.00059  -0.00059   2.31918
   R25        2.69300  -0.00184   0.00000  -0.00386  -0.00386   2.68914
   R26        2.80442  -0.00460   0.00000   0.00534   0.00535   2.80977
   R27        1.95716  -0.00202   0.00000  -0.00816  -0.00816   1.94899
   R28        2.91765  -0.00139   0.00000  -0.00225  -0.00225   2.91539
   R29        2.95190  -0.00361   0.00000  -0.00286  -0.00286   2.94903
   R30        2.13540  -0.00042   0.00000   0.00005   0.00005   2.13545
   R31        2.32232   0.00041   0.00000   0.00534   0.00534   2.32766
   R32        2.61923  -0.00070   0.00000  -0.00121  -0.00121   2.61802
   R33        2.81285   0.00196   0.00000   0.00488   0.00488   2.81773
   R34        1.92535  -0.00047   0.00000  -0.00155  -0.00155   1.92380
   R35        2.92169  -0.00054   0.00000   0.00234   0.00234   2.92403
   R36        2.91249   0.00196   0.00000   0.00187   0.00187   2.91437
   R37        2.12937   0.00163   0.00000   0.00462   0.00462   2.13399
   R38        2.84084   0.00038   0.00000   0.00004   0.00004   2.84088
   R39        2.10283   0.00033   0.00000   0.00187   0.00187   2.10470
   R40        2.09893  -0.00014   0.00000  -0.00103  -0.00103   2.09790
   R41        2.65259   0.00056   0.00000   0.00100   0.00100   2.65359
   R42        2.65135   0.00046   0.00000   0.00160   0.00160   2.65294
   R43        2.64025   0.00027   0.00000   0.00081   0.00081   2.64105
   R44        2.05855   0.00015   0.00000   0.00027   0.00027   2.05881
   R45        2.64208   0.00022   0.00000  -0.00015  -0.00015   2.64193
   R46        2.05904  -0.00001   0.00000   0.00027   0.00027   2.05931
   R47        2.64229   0.00029   0.00000   0.00052   0.00052   2.64281
   R48        2.05632   0.00000   0.00000  -0.00003  -0.00003   2.05629
   R49        2.64037   0.00031   0.00000   0.00009   0.00009   2.64046
   R50        2.05874  -0.00002   0.00000  -0.00003  -0.00003   2.05871
   R51        2.05552   0.00003   0.00000  -0.00021  -0.00021   2.05531
   R52        2.89033   0.00360   0.00000   0.00326   0.00326   2.89359
   R53        2.10017   0.00058   0.00000   0.00378   0.00378   2.10394
   R54        2.09324  -0.00006   0.00000   0.00320   0.00320   2.09644
   R55        2.72768   0.00109   0.00000   0.00604   0.00604   2.73372
   R56        2.94650  -0.00167   0.00000  -0.01257  -0.01258   2.93392
   R57        2.11502   0.00005   0.00000  -0.00709  -0.00710   2.10792
   R58        1.88764  -0.00104   0.00000  -0.00959  -0.00960   1.87804
   R59        2.90222   0.00094   0.00000   0.00481   0.00481   2.90702
   R60        2.84312  -0.00710   0.00000  -0.01528  -0.01528   2.82785
   R61        2.12505  -0.00010   0.00000   0.00223   0.00223   2.12728
   R62        2.83905   0.00163   0.00000   0.00065   0.00065   2.83969
   R63        2.11308   0.00020   0.00000   0.00180   0.00180   2.11488
   R64        2.09538   0.00011   0.00000   0.00079   0.00079   2.09617
   R65        2.65079   0.00118   0.00000   0.00121   0.00121   2.65201
   R66        2.65048   0.00035   0.00000  -0.00018  -0.00018   2.65031
   R67        2.63856   0.00041   0.00000   0.00084   0.00084   2.63940
   R68        2.06264   0.00001   0.00000  -0.00205  -0.00205   2.06059
   R69        2.64383   0.00007   0.00000  -0.00018  -0.00018   2.64366
   R70        2.05745   0.00003   0.00000   0.00051   0.00051   2.05796
   R71        2.64207   0.00010   0.00000   0.00026   0.00026   2.64232
   R72        2.05498   0.00002   0.00000   0.00011   0.00011   2.05509
   R73        2.64143   0.00023   0.00000   0.00080   0.00080   2.64223
   R74        2.05669   0.00000   0.00000  -0.00001  -0.00001   2.05668
   R75        2.05321   0.00001   0.00000  -0.00023  -0.00023   2.05298
   R76        2.66764  -0.01278   0.00000  -0.03100  -0.03100   2.63663
   R77        1.96438  -0.00365   0.00000  -0.01267  -0.01267   1.95171
   R78        2.29538   0.00491   0.00000   0.01035   0.01035   2.30573
   R79        2.64112  -0.00065   0.00000   0.00064   0.00064   2.64176
   R80        2.76286   0.00560   0.00000   0.01566   0.01567   2.77853
   R81        2.78624   0.00328   0.00000   0.00499   0.00499   2.79123
   R82        2.09174  -0.00082   0.00000  -0.00315  -0.00315   2.08859
   R83        2.09767   0.00048   0.00000   0.00066   0.00066   2.09833
   R84        2.58727   0.00082   0.00000  -0.00328  -0.00322   2.58405
   R85        3.28938   0.00272   0.00000   0.01434   0.01440   3.30378
   R86        2.66246   0.00074   0.00000   0.00526   0.00526   2.66771
   R87        2.04991  -0.00002   0.00000  -0.00076  -0.00076   2.04915
   R88        2.49620  -0.00025   0.00000  -0.00256  -0.00263   2.49357
   R89        3.32918   0.00017   0.00000   0.01014   0.01009   3.33927
   R90        2.05451  -0.00007   0.00000   0.00660   0.00661   2.06111
   R91        2.90325  -0.00560   0.00000  -0.00920  -0.00920   2.89405
   R92        2.88992   0.00033   0.00000  -0.00103  -0.00103   2.88889
   R93        2.11901   0.00066   0.00000   0.00264   0.00264   2.12165
   R94        2.08093  -0.00126   0.00000  -0.00419  -0.00419   2.07675
   R95        2.08435   0.00041   0.00000   0.00421   0.00421   2.08856
   R96        2.07032  -0.00015   0.00000  -0.00171  -0.00171   2.06861
   R97        2.07429   0.00047   0.00000   0.00256   0.00256   2.07685
   R98        2.07664   0.00063   0.00000   0.00259   0.00259   2.07923
   R99        2.06827   0.00008   0.00000   0.00017   0.00017   2.06844
   R100       3.28200  -0.00035   0.00000   0.00178   0.00178   3.28378
   R101       2.03791   0.00017   0.00000  -0.00002  -0.00002   2.03790
    A1        1.93478   0.00000   0.00000  -0.00150  -0.00150   1.93328
    A2        1.94530  -0.00005   0.00000   0.00074   0.00074   1.94603
    A3        1.96051  -0.00004   0.00000   0.00116   0.00116   1.96167
    A4        1.87401   0.00001   0.00000   0.00064   0.00064   1.87466
    A5        1.87057   0.00002   0.00000  -0.00180  -0.00180   1.86877
    A6        1.87449   0.00006   0.00000   0.00071   0.00071   1.87521
    A7        1.95119   0.00010   0.00000  -0.00072  -0.00072   1.95047
    A8        1.92380   0.00018   0.00000   0.00072   0.00072   1.92451
    A9        1.88763  -0.00002   0.00000   0.00087   0.00087   1.88850
   A10        1.93179  -0.00039   0.00000  -0.00003  -0.00003   1.93176
   A11        1.88814   0.00009   0.00000  -0.00015  -0.00015   1.88799
   A12        1.87894   0.00005   0.00000  -0.00069  -0.00069   1.87825
   A13        1.96260  -0.00015   0.00000   0.00198   0.00198   1.96458
   A14        1.94582  -0.00010   0.00000  -0.00090  -0.00090   1.94492
   A15        1.93378   0.00006   0.00000   0.00078   0.00078   1.93457
   A16        1.87505   0.00008   0.00000  -0.00087  -0.00087   1.87418
   A17        1.86804   0.00010   0.00000  -0.00246  -0.00246   1.86558
   A18        1.87424   0.00003   0.00000   0.00135   0.00135   1.87559
   A19        2.20960   0.00002   0.00000   0.00033   0.00033   2.20993
   A20        2.11695  -0.00004   0.00000  -0.00157  -0.00157   2.11538
   A21        1.95660   0.00002   0.00000   0.00128   0.00127   1.95787
   A22        1.96204  -0.00019   0.00000   0.00009   0.00009   1.96213
   A23        2.04647  -0.00016   0.00000  -0.00005  -0.00006   2.04641
   A24        2.00979   0.00038   0.00000  -0.00207  -0.00206   2.00772
   A25        2.22684  -0.00022   0.00000   0.00216   0.00215   2.22899
   A26        1.98426   0.00019   0.00000  -0.00272  -0.00273   1.98153
   A27        1.91324   0.00039   0.00000   0.00653   0.00652   1.91976
   A28        1.92138  -0.00001   0.00000   0.00252   0.00252   1.92390
   A29        1.92522  -0.00066   0.00000   0.00548   0.00547   1.93069
   A30        1.87598   0.00009   0.00000  -0.00025  -0.00025   1.87573
   A31        1.83778  -0.00003  -0.00001  -0.01246  -0.01246   1.82532
   A32        1.99044  -0.00045   0.00000   0.00450   0.00444   1.99488
   A33        2.11196  -0.00020   0.00000   0.00492   0.00486   2.11682
   A34        2.00337   0.00074   0.00000   0.00174   0.00167   2.00504
   A35        1.89536   0.00013   0.00000  -0.00061  -0.00061   1.89475
   A36        1.92281  -0.00001   0.00000   0.00053   0.00053   1.92334
   A37        1.96790  -0.00015   0.00000  -0.00195  -0.00195   1.96595
   A38        1.89078  -0.00006   0.00000   0.00245   0.00246   1.89323
   A39        1.90052  -0.00001   0.00000   0.00142   0.00142   1.90195
   A40        1.88498   0.00011   0.00000  -0.00165  -0.00165   1.88333
   A41        2.12499   0.00127   0.00000   0.00298   0.00296   2.12794
   A42        2.04910  -0.00075   0.00000  -0.00832  -0.00834   2.04076
   A43        2.10907  -0.00053   0.00000   0.00525   0.00523   2.11429
   A44        2.03385  -0.00079   0.00000   0.01858   0.01856   2.05241
   A45        2.06657   0.00062   0.00000  -0.00443  -0.00446   2.06211
   A46        1.98935  -0.00025   0.00000  -0.00629  -0.00632   1.98303
   A47        1.92418  -0.00075   0.00000  -0.00192  -0.00191   1.92227
   A48        1.90490  -0.00001   0.00000   0.00724   0.00725   1.91215
   A49        1.87906   0.00012   0.00000   0.01026   0.01028   1.88934
   A50        1.94146   0.00028   0.00000  -0.00020  -0.00022   1.94125
   A51        1.91106   0.00041  -0.00001  -0.00702  -0.00705   1.90401
   A52        1.90197  -0.00005   0.00000  -0.00807  -0.00813   1.89384
   A53        2.14059   0.00035   0.00000   0.00257   0.00248   2.14307
   A54        2.03894  -0.00151   0.00000  -0.01057  -0.01066   2.02827
   A55        2.10365   0.00116   0.00000   0.00786   0.00777   2.11141
   A56        2.10964   0.00265   0.00000   0.00397   0.00396   2.11360
   A57        2.12604  -0.00141   0.00000  -0.00553  -0.00554   2.12051
   A58        2.04263  -0.00119   0.00000   0.00070   0.00069   2.04332
   A59        1.91356  -0.00132   0.00000  -0.00022  -0.00022   1.91334
   A60        1.93996   0.00058   0.00000  -0.00252  -0.00252   1.93744
   A61        1.86533   0.00087   0.00000   0.00295   0.00295   1.86828
   A62        1.95513   0.00008   0.00000   0.00290   0.00290   1.95803
   A63        1.88798  -0.00020   0.00000  -0.00199  -0.00198   1.88600
   A64        1.89887   0.00002   0.00000  -0.00112  -0.00112   1.89775
   A65        2.00034  -0.00079   0.00000  -0.00237  -0.00236   1.99798
   A66        1.89402   0.00023   0.00000  -0.00071  -0.00071   1.89331
   A67        1.89953   0.00012   0.00000  -0.00046  -0.00046   1.89907
   A68        1.91755   0.00028   0.00000   0.00220   0.00220   1.91975
   A69        1.92085   0.00033   0.00000   0.00219   0.00219   1.92305
   A70        1.82295  -0.00011   0.00000  -0.00077  -0.00077   1.82218
   A71        2.09294   0.00010   0.00000   0.00120   0.00120   2.09414
   A72        2.10448   0.00006   0.00000  -0.00064  -0.00064   2.10384
   A73        2.08573  -0.00015   0.00000  -0.00056  -0.00056   2.08517
   A74        2.09672   0.00005   0.00000   0.00001   0.00001   2.09672
   A75        2.09808  -0.00004   0.00000  -0.00006  -0.00006   2.09802
   A76        2.08830  -0.00001   0.00000   0.00005   0.00005   2.08835
   A77        2.09863   0.00001   0.00000   0.00022   0.00022   2.09885
   A78        2.09080  -0.00001   0.00000  -0.00032  -0.00032   2.09047
   A79        2.09375   0.00000   0.00000   0.00011   0.00011   2.09385
   A80        2.08970   0.00004   0.00000   0.00009   0.00009   2.08978
   A81        2.09708  -0.00005   0.00000   0.00020   0.00020   2.09728
   A82        2.09640   0.00001   0.00000  -0.00029  -0.00029   2.09611
   A83        2.09924   0.00002   0.00000   0.00010   0.00010   2.09934
   A84        2.09324  -0.00005   0.00000  -0.00016  -0.00016   2.09308
   A85        2.09070   0.00003   0.00000   0.00006   0.00006   2.09076
   A86        2.09628   0.00003   0.00000   0.00015   0.00015   2.09644
   A87        2.09814  -0.00001   0.00000  -0.00033  -0.00033   2.09781
   A88        2.08875  -0.00002   0.00000   0.00018   0.00018   2.08893
   A89        1.95952   0.00339   0.00000  -0.00726  -0.00726   1.95226
   A90        1.92819  -0.00119   0.00000   0.00442   0.00441   1.93260
   A91        1.90548  -0.00081   0.00000   0.00226   0.00226   1.90773
   A92        1.89242  -0.00046   0.00000  -0.00062  -0.00062   1.89181
   A93        1.93402  -0.00143   0.00000   0.00322   0.00322   1.93724
   A94        1.84060   0.00028   0.00000  -0.00159  -0.00159   1.83901
   A95        1.87681   0.00193   0.00000  -0.00429  -0.00429   1.87252
   A96        1.99509  -0.00277   0.00000  -0.01207  -0.01209   1.98300
   A97        1.95034   0.00084   0.00000   0.00499   0.00496   1.95531
   A98        1.79920  -0.00058   0.00000   0.00565   0.00562   1.80481
   A99        1.89872  -0.00038   0.00000   0.00918   0.00918   1.90789
   A100       1.93445   0.00098   0.00000  -0.00239  -0.00241   1.93204
   A101       1.91927  -0.00001   0.00000   0.01277   0.01278   1.93204
   A102       1.93548   0.00090   0.00000  -0.00386  -0.00391   1.93157
   A103       1.90545   0.00129   0.00001   0.00259   0.00250   1.90795
   A104       1.91200  -0.00123   0.00000  -0.00379  -0.00380   1.90820
   A105       1.95910  -0.00176  -0.00001  -0.01486  -0.01487   1.94423
   A106       1.91523   0.00080   0.00000   0.01357   0.01361   1.92884
   A107       1.83366  -0.00007   0.00000   0.00700   0.00705   1.84072
   A108       1.94524   0.00064   0.00000   0.00135   0.00134   1.94659
   A109       1.91959  -0.00025   0.00000  -0.00208  -0.00208   1.91751
   A110       1.91768  -0.00020   0.00000   0.00397   0.00397   1.92165
   A111       1.91693   0.00007   0.00000  -0.00233  -0.00233   1.91460
   A112       1.93062  -0.00040   0.00000   0.00123   0.00122   1.93184
   A113       1.83048   0.00011   0.00000  -0.00238  -0.00238   1.82809
   A114       2.08804   0.00098   0.00000  -0.00302  -0.00302   2.08502
   A115       2.10334  -0.00044   0.00000   0.00289   0.00289   2.10623
   A116       2.09181  -0.00053   0.00000   0.00013   0.00013   2.09194
   A117       2.09360   0.00014   0.00000   0.00002   0.00002   2.09362
   A118       2.08721   0.00015   0.00000  -0.00065  -0.00065   2.08656
   A119       2.10233  -0.00028   0.00000   0.00065   0.00065   2.10298
   A120       2.09827  -0.00001   0.00000  -0.00027  -0.00027   2.09800
   A121       2.09062   0.00010   0.00000   0.00059   0.00059   2.09122
   A122       2.09429  -0.00009   0.00000  -0.00033  -0.00033   2.09397
   A123       2.09160   0.00002   0.00000   0.00014   0.00014   2.09175
   A124       2.09577  -0.00005   0.00000  -0.00029  -0.00029   2.09548
   A125       2.09581   0.00003   0.00000   0.00015   0.00015   2.09596
   A126       2.09845   0.00015   0.00000   0.00043   0.00043   2.09888
   A127       2.09308  -0.00006   0.00000   0.00013   0.00013   2.09321
   A128       2.09165  -0.00010   0.00000  -0.00055  -0.00055   2.09109
   A129       2.09262   0.00023   0.00000  -0.00045  -0.00045   2.09217
   A130       2.09969  -0.00014   0.00000   0.00094   0.00094   2.10063
   A131       2.09088  -0.00009   0.00000  -0.00049  -0.00049   2.09039
   A132       2.07825   0.00142   0.00000  -0.01422  -0.01426   2.06399
   A133       1.95640  -0.00048   0.00001   0.00073   0.00071   1.95710
   A134       1.99705   0.00005   0.00000   0.00419   0.00415   2.00119
   A135       2.26341  -0.00151   0.00000  -0.00178  -0.00178   2.26164
   A136       1.90397  -0.00308   0.00000  -0.00920  -0.00920   1.89477
   A137       2.11395   0.00442   0.00000   0.01092   0.01092   2.12487
   A138       1.98580   0.01201  -0.00001   0.02773   0.02772   2.01351
   A139       1.87009   0.01252   0.00000   0.03066   0.03059   1.90068
   A140       1.79674  -0.00550   0.00000  -0.02192  -0.02181   1.77493
   A141       1.88540  -0.00279   0.00000   0.00499   0.00478   1.89018
   A142       2.00129  -0.00296   0.00001  -0.00953  -0.00942   1.99187
   A143       1.97152  -0.00189   0.00000  -0.00139  -0.00162   1.96990
   A144       1.92596   0.00076   0.00000  -0.00226  -0.00230   1.92366
   A145       2.27041   0.00102   0.00001   0.01626   0.01597   2.28638
   A146       2.08990  -0.00021  -0.00001  -0.01551  -0.01588   2.07402
   A147       1.91651  -0.00065   0.00000   0.00393   0.00372   1.92023
   A148       2.01017   0.00035   0.00000  -0.00275  -0.00276   2.00741
   A149       2.21457   0.00018   0.00000   0.00762   0.00761   2.22218
   A150       2.05836  -0.00054   0.00000  -0.00497  -0.00499   2.05338
   A151       1.94961  -0.00024   0.00000   0.00323   0.00306   1.95266
   A152       1.97466   0.00087   0.00000   0.00167   0.00141   1.97608
   A153       2.18174  -0.00014   0.00000  -0.00019  -0.00020   2.18154
   A154       2.12480  -0.00069   0.00000  -0.00299  -0.00301   2.12179
   A155       1.57354  -0.00033   0.00000  -0.00595  -0.00599   1.56754
   A156       1.96834  -0.00062   0.00000   0.01050   0.01047   1.97881
   A157       1.93029  -0.00007   0.00000  -0.00875  -0.00872   1.92157
   A158       1.84844   0.00037   0.00000   0.00418   0.00421   1.85265
   A159       1.93827   0.00011   0.00000  -0.00692  -0.00690   1.93137
   A160       1.89094  -0.00019   0.00000  -0.00747  -0.00748   1.88346
   A161       1.88297   0.00046   0.00000   0.00911   0.00910   1.89207
   A162       1.94739   0.00045   0.00000   0.01909   0.01907   1.96646
   A163       1.96841  -0.00122   0.00000   0.00432   0.00427   1.97268
   A164       1.94539  -0.00033   0.00000  -0.00703  -0.00701   1.93838
   A165       1.84455   0.00077  -0.00001  -0.00633  -0.00643   1.83812
   A166       1.87957  -0.00033   0.00000  -0.00981  -0.00977   1.86980
   A167       1.87283   0.00075   0.00000  -0.00144  -0.00144   1.87140
   A168       1.92858   0.00029   0.00000   0.00130   0.00130   1.92987
   A169       1.96605  -0.00002   0.00000  -0.00059  -0.00059   1.96546
   A170       1.96145  -0.00002   0.00000  -0.00215  -0.00215   1.95930
   A171       1.84946  -0.00001   0.00000  -0.00185  -0.00185   1.84760
   A172       1.86215  -0.00007   0.00000   0.00385   0.00385   1.86600
   A173       1.88984  -0.00018   0.00000  -0.00030  -0.00031   1.88954
   A174       1.91736  -0.00022   0.00000   0.00181   0.00179   1.91915
   A175       2.23830   0.00002   0.00000   0.00566   0.00562   2.24392
   A176       2.12752   0.00020   0.00000  -0.00743  -0.00746   2.12006
   A177       1.57898   0.00001   0.00000  -0.00109  -0.00109   1.57790
    D1        1.11604   0.00013  -0.00001  -0.01096  -0.01096   1.10508
    D2       -3.01073  -0.00018  -0.00001  -0.01098  -0.01099  -3.02172
    D3       -0.96086  -0.00003  -0.00001  -0.01091  -0.01091  -0.97178
    D4       -3.08075   0.00011  -0.00001  -0.01066  -0.01067  -3.09141
    D5       -0.92434  -0.00020   0.00000  -0.01069  -0.01069  -0.93503
    D6        1.12553  -0.00005  -0.00001  -0.01061  -0.01062   1.11492
    D7       -0.97616   0.00013  -0.00001  -0.00841  -0.00841  -0.98457
    D8        1.18026  -0.00018   0.00000  -0.00843  -0.00844   1.17182
    D9       -3.05306  -0.00004  -0.00001  -0.00836  -0.00836  -3.06142
   D10        1.01461   0.00001   0.00000  -0.00288  -0.00289   1.01172
   D11        3.12175  -0.00007   0.00000  -0.00326  -0.00326   3.11849
   D12       -1.07507  -0.00005   0.00000  -0.00163  -0.00163  -1.07670
   D13       -1.13729   0.00000   0.00000  -0.00328  -0.00328  -1.14057
   D14        0.96986  -0.00008   0.00000  -0.00365  -0.00365   0.96620
   D15        3.05622  -0.00006   0.00000  -0.00202  -0.00202   3.05419
   D16        3.09121   0.00010   0.00000  -0.00233  -0.00234   3.08888
   D17       -1.08483   0.00002   0.00000  -0.00271  -0.00271  -1.08754
   D18        1.00153   0.00004   0.00000  -0.00108  -0.00108   1.00045
   D19        2.02924   0.00015   0.00001   0.00252   0.00252   2.03176
   D20       -1.10376  -0.00006   0.00001  -0.00283  -0.00282  -1.10658
   D21       -2.08630   0.00012   0.00001   0.00209   0.00209  -2.08421
   D22        1.06388  -0.00008   0.00001  -0.00326  -0.00325   1.06063
   D23       -0.02600   0.00005   0.00001   0.00148   0.00149  -0.02451
   D24        3.12418  -0.00016   0.00001  -0.00387  -0.00385   3.12033
   D25       -3.13532   0.00001   0.00000  -0.00386  -0.00387  -3.13919
   D26       -0.00165   0.00020   0.00000   0.00106   0.00105  -0.00060
   D27        3.13653  -0.00006   0.00000   0.00077   0.00078   3.13731
   D28        0.00239  -0.00024   0.00000  -0.00386  -0.00385  -0.00146
   D29        3.12797   0.00000   0.00000   0.00637   0.00638   3.13435
   D30       -0.00025  -0.00004   0.00000   0.00343   0.00344   0.00319
   D31        2.09972   0.00013  -0.00001  -0.01028  -0.01030   2.08942
   D32       -2.01978  -0.00029  -0.00001  -0.00005  -0.00006  -2.01985
   D33       -0.00605  -0.00011  -0.00001  -0.00992  -0.00994  -0.01599
   D34       -1.05715   0.00018  -0.00001  -0.00696  -0.00697  -1.06412
   D35        1.10654  -0.00024  -0.00001   0.00327   0.00327   1.10981
   D36        3.12027  -0.00006  -0.00001  -0.00660  -0.00661   3.11366
   D37        0.00205  -0.00014   0.00000  -0.00625  -0.00625  -0.00420
   D38        3.14073   0.00010   0.00000   0.00852   0.00857  -3.13389
   D39       -3.12454  -0.00018   0.00000  -0.00952  -0.00953  -3.13407
   D40        0.01413   0.00006   0.00000   0.00525   0.00529   0.01942
   D41       -1.20788  -0.00032  -0.00001  -0.02538  -0.02540  -1.23327
   D42        1.29642   0.00008   0.00000  -0.00704  -0.00703   1.28939
   D43        2.91813  -0.00047  -0.00001  -0.03620  -0.03623   2.88190
   D44       -0.86076  -0.00007  -0.00001  -0.01787  -0.01786  -0.87863
   D45        0.92322  -0.00014  -0.00001  -0.02412  -0.02414   0.89907
   D46       -2.85567   0.00026   0.00000  -0.00579  -0.00578  -2.86145
   D47       -1.17116   0.00005   0.00001   0.01121   0.01122  -1.15995
   D48        3.04383   0.00005   0.00001   0.00829   0.00829   3.05212
   D49        0.93662   0.00002   0.00001   0.01133   0.01134   0.94796
   D50        2.56692  -0.00001   0.00000  -0.00706  -0.00706   2.55986
   D51        0.49873   0.00000   0.00000  -0.00999  -0.00999   0.48874
   D52       -1.60848  -0.00004   0.00000  -0.00694  -0.00694  -1.61542
   D53       -2.73997  -0.00126   0.00000  -0.05741  -0.05741  -2.79737
   D54        0.41003   0.00007  -0.00001  -0.04515  -0.04516   0.36487
   D55       -0.24004  -0.00126   0.00000  -0.03801  -0.03800  -0.27804
   D56        2.90996   0.00007   0.00000  -0.02575  -0.02575   2.88421
   D57        2.88118  -0.00166  -0.00001  -0.05324  -0.05324   2.82794
   D58        0.40531  -0.00092  -0.00001  -0.06287  -0.06289   0.34242
   D59       -0.25208  -0.00035  -0.00001  -0.04108  -0.04108  -0.29317
   D60       -2.72796   0.00038  -0.00001  -0.05072  -0.05074  -2.77869
   D61       -1.46685   0.00009   0.00002  -0.00249  -0.00247  -1.46932
   D62        2.67898   0.00022   0.00001  -0.00577  -0.00574   2.67324
   D63        0.61692   0.00022   0.00001  -0.00590  -0.00592   0.61100
   D64        1.03799  -0.00027   0.00002   0.00688   0.00690   1.04490
   D65       -1.09937  -0.00014   0.00001   0.00360   0.00364  -1.09573
   D66        3.12176  -0.00014   0.00001   0.00347   0.00346   3.12522
   D67       -0.55462  -0.00006   0.00002   0.02844   0.02845  -0.52617
   D68        2.58103   0.00001   0.00001   0.00293   0.00296   2.58399
   D69        1.56109  -0.00039   0.00003   0.03616   0.03616   1.59725
   D70       -1.58644  -0.00032   0.00001   0.01064   0.01067  -1.57577
   D71       -2.61884  -0.00001   0.00002   0.02132   0.02132  -2.59752
   D72        0.51681   0.00007   0.00001  -0.00420  -0.00417   0.51264
   D73        1.07698  -0.00018   0.00000  -0.01225  -0.01221   1.06477
   D74       -3.02394  -0.00056   0.00000  -0.02027  -0.02026  -3.04421
   D75       -0.98831   0.00016   0.00000  -0.01158  -0.01159  -0.99990
   D76       -1.04997   0.00058  -0.00001  -0.01460  -0.01457  -1.06454
   D77        1.13229   0.00020  -0.00001  -0.02262  -0.02262   1.10967
   D78       -3.11526   0.00092  -0.00001  -0.01392  -0.01394  -3.12920
   D79        3.12461  -0.00007   0.00000  -0.00042  -0.00041   3.12420
   D80       -0.97631  -0.00045   0.00000  -0.00844  -0.00847  -0.98478
   D81        1.05933   0.00027   0.00000   0.00025   0.00021   1.05954
   D82        3.08381   0.00044   0.00001   0.03669   0.03673   3.12054
   D83        0.05130  -0.00007   0.00001   0.04616   0.04618   0.09749
   D84       -0.06358   0.00051  -0.00001   0.01173   0.01171  -0.05187
   D85       -3.09610   0.00000  -0.00001   0.02120   0.02117  -3.07493
   D86        2.59893  -0.00075  -0.00001  -0.03681  -0.03681   2.56212
   D87       -1.51311  -0.00119  -0.00001  -0.03501  -0.03502  -1.54813
   D88        0.55653  -0.00031  -0.00001  -0.03598  -0.03599   0.52054
   D89       -0.64671  -0.00029  -0.00001  -0.04624  -0.04626  -0.69296
   D90        1.52443  -0.00073  -0.00002  -0.04444  -0.04446   1.47997
   D91       -2.68911   0.00015  -0.00002  -0.04541  -0.04543  -2.73454
   D92        1.04690  -0.00013   0.00000   0.00012   0.00012   1.04702
   D93       -1.10346  -0.00012   0.00000  -0.00055  -0.00055  -1.10401
   D94       -3.07735  -0.00017   0.00000   0.00095   0.00096  -3.07640
   D95       -1.11539   0.00002   0.00000   0.00149   0.00149  -1.11390
   D96        3.01743   0.00004   0.00000   0.00082   0.00082   3.01826
   D97        1.04354  -0.00001   0.00000   0.00232   0.00232   1.04587
   D98        3.07502   0.00008   0.00000   0.00241   0.00241   3.07743
   D99        0.92466   0.00010   0.00000   0.00174   0.00174   0.92640
   D100      -1.04923   0.00005   0.00000   0.00324   0.00324  -1.04598
   D101       1.26595   0.00142  -0.00001  -0.02852  -0.02853   1.23741
   D102      -0.84887   0.00052  -0.00001  -0.02587  -0.02587  -0.87474
   D103      -2.86537   0.00132  -0.00001  -0.02776  -0.02777  -2.89314
   D104      -2.86980   0.00018  -0.00001  -0.02856  -0.02857  -2.89837
   D105       1.29857  -0.00071  -0.00001  -0.02591  -0.02591   1.27266
   D106      -0.71793   0.00009  -0.00001  -0.02780  -0.02781  -0.74574
   D107      -0.78340   0.00000  -0.00001  -0.02997  -0.02998  -0.81338
   D108      -2.89822  -0.00090  -0.00001  -0.02732  -0.02732  -2.92554
   D109       1.36846  -0.00009  -0.00001  -0.02921  -0.02922   1.33924
   D110      -1.67010   0.00001   0.00000   0.01010   0.01010  -1.66000
   D111       1.48142  -0.00001   0.00000   0.00907   0.00907   1.49049
   D112       0.46757  -0.00004   0.00000   0.00917   0.00917   0.47674
   D113      -2.66410  -0.00006   0.00000   0.00813   0.00813  -2.65596
   D114       2.46558   0.00017   0.00000   0.01072   0.01072   2.47630
   D115      -0.66609   0.00014   0.00000   0.00969   0.00969  -0.65640
   D116       3.14055   0.00000   0.00000  -0.00024  -0.00024   3.14030
   D117      -0.01559  -0.00003   0.00000  -0.00088  -0.00088  -0.01647
   D118      -0.01086   0.00003   0.00000   0.00078   0.00078  -0.01009
   D119       3.11619   0.00000   0.00000   0.00014   0.00014   3.11632
   D120      -3.14042   0.00001   0.00000   0.00059   0.00059  -3.13984
   D121       0.00754   0.00001   0.00000   0.00054   0.00054   0.00808
   D122       0.01105  -0.00002   0.00000  -0.00045  -0.00045   0.01060
   D123      -3.12416  -0.00002   0.00000  -0.00050  -0.00050  -3.12466
   D124       0.00262  -0.00002   0.00000  -0.00067  -0.00067   0.00195
   D125       3.14039  -0.00004   0.00000  -0.00091  -0.00091   3.13948
   D126      -3.12451   0.00001   0.00000  -0.00003  -0.00003  -3.12454
   D127       0.01326  -0.00001   0.00000  -0.00027  -0.00027   0.01298
   D128       0.00549   0.00001   0.00000   0.00023   0.00023   0.00572
   D129      -3.14070  -0.00002   0.00000  -0.00053  -0.00053  -3.14123
   D130      -3.13228   0.00002   0.00000   0.00048   0.00048  -3.13180
   D131       0.00472   0.00000   0.00000  -0.00028  -0.00028   0.00444
   D132      -0.00529   0.00001   0.00000   0.00010   0.00010  -0.00520
   D133       3.13404   0.00000   0.00000  -0.00031  -0.00031   3.13373
   D134       3.14089   0.00003   0.00000   0.00085   0.00085  -3.14144
   D135      -0.00296   0.00002   0.00000   0.00045   0.00045  -0.00251
   D136      -0.00301   0.00000   0.00000   0.00001   0.00001  -0.00299
   D137       3.13224   0.00000   0.00000   0.00006   0.00006   3.13230
   D138       3.14084   0.00001   0.00000   0.00042   0.00042   3.14126
   D139      -0.00709   0.00001   0.00000   0.00046   0.00046  -0.00663
   D140      -1.79482  -0.00072  -0.00001  -0.00418  -0.00418  -1.79900
   D141       2.50248   0.00028  -0.00001  -0.00182  -0.00186   2.50062
   D142       0.28769   0.00053  -0.00001   0.00727   0.00727   0.29496
   D143       0.34041  -0.00033  -0.00001  -0.00378  -0.00377   0.33664
   D144      -1.64548   0.00068  -0.00001  -0.00142  -0.00145  -1.64692
   D145       2.42291   0.00092  -0.00001   0.00767   0.00768   2.43059
   D146       2.35260  -0.00104  -0.00001  -0.00428  -0.00428   2.34832
   D147       0.36671  -0.00004  -0.00001  -0.00192  -0.00195   0.36476
   D148      -1.84808   0.00021  -0.00001   0.00717   0.00717  -1.84090
   D149       1.66531   0.00196   0.00002   0.07687   0.07689   1.74220
   D150      -2.50411  -0.00062   0.00001   0.06394   0.06392  -2.44019
   D151      -0.44989   0.00003   0.00001   0.06812   0.06816  -0.38173
   D152      -1.15589  -0.00030   0.00000  -0.01718  -0.01721  -1.17309
   D153       2.95991   0.00041   0.00001   0.00249   0.00248   2.96239
   D154       0.96071   0.00046   0.00000  -0.00522  -0.00524   0.95547
   D155       3.09601  -0.00091   0.00000  -0.00970  -0.00970   3.08630
   D156       0.92862  -0.00019   0.00001   0.00996   0.00998   0.93860
   D157      -1.07058  -0.00015   0.00001   0.00226   0.00227  -1.06831
   D158       1.06709  -0.00059   0.00000  -0.02232  -0.02231   1.04477
   D159      -1.10031   0.00012   0.00001  -0.00266  -0.00263  -1.10293
   D160      -3.09950   0.00017   0.00000  -0.01036  -0.01035  -3.10985
   D161       2.94290  -0.00066   0.00001   0.01402   0.01400   2.95690
   D162      -1.20995  -0.00032   0.00000   0.01053   0.01051  -1.19944
   D163       0.79649  -0.00045   0.00000   0.00874   0.00871   0.80519
   D164      -1.20379   0.00041   0.00001   0.00398   0.00403  -1.19976
   D165       0.92655   0.00075   0.00000   0.00050   0.00054   0.92709
   D166       2.93298   0.00063   0.00000  -0.00130  -0.00126   2.93172
   D167       0.82821  -0.00023   0.00001   0.01228   0.01228   0.84049
   D168       2.95854   0.00011   0.00000   0.00880   0.00879   2.96733
   D169      -1.31821  -0.00002   0.00000   0.00700   0.00699  -1.31121
   D170       1.14412   0.00187  -0.00003  -0.00772  -0.00774   1.13638
   D171      -1.25421   0.00069  -0.00003   0.00153   0.00148  -1.25273
   D172      -1.00932   0.00100  -0.00002   0.00555   0.00553  -1.00378
   D173       2.87554  -0.00018  -0.00003   0.01480   0.01475   2.89029
   D174      -3.08978   0.00103  -0.00002  -0.00717  -0.00717  -3.09695
   D175       0.79508  -0.00016  -0.00003   0.00208   0.00205   0.79713
   D176       1.64034   0.00010   0.00000  -0.00003  -0.00003   1.64031
   D177      -1.50220   0.00007   0.00000   0.00132   0.00131  -1.50088
   D178      -0.49152  -0.00006   0.00000   0.00331   0.00331  -0.48822
   D179       2.64912  -0.00009   0.00000   0.00465   0.00465   2.65377
   D180      -2.50384   0.00000   0.00000   0.00686   0.00686  -2.49698
   D181       0.63680  -0.00003   0.00000   0.00821   0.00821   0.64501
   D182       3.13650   0.00000   0.00000   0.00104   0.00104   3.13754
   D183      -0.01492   0.00003   0.00000   0.00272   0.00272  -0.01220
   D184      -0.00415   0.00002   0.00000  -0.00030  -0.00030  -0.00444
   D185       3.12761   0.00006   0.00000   0.00139   0.00139   3.12900
   D186      -3.13593   0.00000   0.00000  -0.00129  -0.00130  -3.13723
   D187       0.00531   0.00001   0.00000  -0.00188  -0.00189   0.00342
   D188       0.00471  -0.00003   0.00000   0.00005   0.00005   0.00476
   D189      -3.13724  -0.00001   0.00000  -0.00054  -0.00054  -3.13777
   D190       0.00030   0.00000   0.00000   0.00060   0.00060   0.00090
   D191       3.14027   0.00001   0.00000   0.00105   0.00105   3.14132
   D192      -3.13137  -0.00003   0.00000  -0.00109  -0.00109  -3.13246
   D193       0.00860  -0.00002   0.00000  -0.00064  -0.00064   0.00796
   D194       0.00299  -0.00002   0.00000  -0.00066  -0.00066   0.00233
   D195      -3.14035   0.00000   0.00000  -0.00007  -0.00007  -3.14041
   D196      -3.13698  -0.00003   0.00000  -0.00112  -0.00112  -3.13810
   D197       0.00287  -0.00001   0.00000  -0.00052  -0.00052   0.00235
   D198      -0.00242   0.00001   0.00000   0.00042   0.00042  -0.00200
   D199       3.13895   0.00001   0.00000   0.00100   0.00100   3.13995
   D200       3.14091  -0.00001   0.00000  -0.00018  -0.00018   3.14074
   D201      -0.00090  -0.00001   0.00000   0.00041   0.00041  -0.00049
   D202      -0.00143   0.00001   0.00000  -0.00012  -0.00012  -0.00155
   D203       3.14052   0.00000   0.00000   0.00047   0.00047   3.14099
   D204       3.14039   0.00001   0.00000  -0.00070  -0.00070   3.13968
   D205      -0.00085  -0.00001   0.00000  -0.00012  -0.00012  -0.00097
   D206       0.63415   0.00008  -0.00004  -0.03470  -0.03473   0.59942
   D207      -2.57339  -0.00272  -0.00004  -0.03537  -0.03540  -2.60879
   D208       3.01616   0.00110  -0.00003  -0.04578  -0.04582   2.97034
   D209      -0.19139  -0.00170  -0.00003  -0.04646  -0.04649  -0.23788
   D210       3.05537   0.00543   0.00002   0.08744   0.08745  -3.14036
   D211      -0.14550   0.00269   0.00002   0.08635   0.08637  -0.05913
   D212      -1.21507  -0.00136   0.00007   0.06155   0.06142  -1.15366
   D213       2.95158  -0.00094   0.00006   0.06940   0.06955   3.02113
   D214       0.91398   0.00202   0.00006   0.08039   0.08055   0.99453
   D215      -1.77112   0.00014  -0.00007  -0.02315  -0.02308  -1.79420
   D216       1.23618   0.00175  -0.00008   0.02602   0.02596   1.26214
   D217       0.21085  -0.00023  -0.00007  -0.03561  -0.03566   0.17519
   D218      -3.06504   0.00138  -0.00008   0.01356   0.01339  -3.05165
   D219       2.43786  -0.00349  -0.00006  -0.04852  -0.04857   2.38929
   D220      -0.83803  -0.00188  -0.00007   0.00064   0.00048  -0.83755
   D221       3.04222   0.00156   0.00000   0.04795   0.04837   3.09058
   D222      -0.11333   0.00110  -0.00001   0.03876   0.03900  -0.07433
   D223       0.02450   0.00006   0.00001   0.00391   0.00396   0.02846
   D224      -3.13104  -0.00039   0.00000  -0.00528  -0.00541  -3.13645
   D225      -3.04726  -0.00174   0.00000  -0.06081  -0.06026  -3.10752
   D226      -0.01476  -0.00031  -0.00001  -0.01961  -0.01961  -0.03438
   D227      -0.02352   0.00033   0.00000   0.02095   0.02100  -0.00252
   D228       3.13070   0.00074   0.00000   0.02917   0.02930  -3.12318
   D229       0.01109  -0.00058   0.00000  -0.03589  -0.03603  -0.02494
   D230      -3.06353  -0.00121   0.00002  -0.01048  -0.01050  -3.07403
   D231       0.00204   0.00053   0.00001   0.03268   0.03268   0.03472
   D232       3.07912   0.00115  -0.00001   0.00831   0.00826   3.08738
   D233      -1.11335  -0.00035   0.00001   0.00957   0.00954  -1.10380
   D234       0.95971   0.00012   0.00001   0.01769   0.01773   0.97745
   D235       3.06778  -0.00001   0.00001   0.01380   0.01382   3.08160
   D236       2.99193   0.00013   0.00001   0.01856   0.01856   3.01048
   D237      -1.21820   0.00060   0.00001   0.02669   0.02675  -1.19145
   D238       0.88987   0.00048   0.00001   0.02279   0.02283   0.91271
   D239       0.92691  -0.00038   0.00002   0.01608   0.01604   0.94295
   D240       2.99997   0.00009   0.00001   0.02421   0.02423   3.02420
   D241      -1.17514  -0.00004   0.00001   0.02032   0.02031  -1.15483
   D242       2.97584   0.00045   0.00000   0.00003   0.00000   2.97585
   D243      -1.24252   0.00062   0.00000  -0.00182  -0.00185  -1.24436
   D244       0.89797   0.00035   0.00000  -0.00430  -0.00433   0.89364
   D245      -1.10814  -0.00034   0.00000   0.00202   0.00206  -1.10608
   D246       0.95669  -0.00016   0.00000   0.00017   0.00020   0.95689
   D247       3.09718  -0.00043   0.00000  -0.00231  -0.00228   3.09490
   D248       0.96169  -0.00022   0.00000  -0.00547  -0.00548   0.95621
   D249       3.02652  -0.00005   0.00000  -0.00732  -0.00733   3.01919
   D250      -1.11618  -0.00032   0.00000  -0.00980  -0.00981  -1.12599
   D251      -0.00242   0.00021   0.00000   0.00556   0.00556   0.00314
   D252      -3.14131  -0.00002   0.00000  -0.00814  -0.00805   3.13382
         Item               Value     Threshold  Converged?
 Maximum Force            0.012777     0.000450     NO 
 RMS     Force            0.001383     0.000300     NO 
 Maximum Displacement     1.208091     0.001800     NO 
 RMS     Displacement     0.147054     0.001200     NO 
 Predicted change in Energy=-2.155276D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.454551   -2.166903    1.252747
      2          6           0       -9.174106   -1.244130    0.060893
      3          6           0      -10.134027   -0.052490    0.027929
      4          6           0       -7.752713   -0.777124    0.090124
      5          7           0       -6.827627   -1.031996   -0.802463
      6          6           0       -5.577071   -0.438569   -0.472687
      7          6           0       -4.433695   -0.670611   -1.420765
      8          7           0       -3.881661    0.580952   -2.002429
      9          6           0       -4.779632    1.248274   -2.983464
     10          6           0       -3.079547    1.464223   -1.228158
     11          8           0       -2.911968    2.637214   -1.547791
     12          7           0       -2.453494    0.919901   -0.071961
     13          6           0       -1.312734    1.673289    0.512711
     14          6           0       -0.005289    1.312337   -0.222415
     15          8           0        0.189324    0.209102   -0.734470
     16          7           0        0.942696    2.318397   -0.314547
     17          6           0        2.256305    2.080394   -0.978701
     18          6           0        2.729253    3.378583   -1.675310
     19          6           0        2.914616    4.549492   -0.750859
     20          6           0        1.878004    5.481638   -0.582410
     21          6           0        2.046427    6.570483    0.277412
     22          6           0        3.247421    6.739783    0.972744
     23          6           0        4.284911    5.818058    0.799884
     24          6           0        4.122971    4.727709   -0.058770
     25          6           0        3.296195    1.547487    0.027813
     26          6           0        2.990844    0.109177    0.455207
     27          8           0        2.408248    0.168273    1.778008
     28          6           0        4.259806   -0.761769    0.659284
     29          6           0        4.976238   -1.000005   -0.681025
     30          6           0        6.331675   -1.616798   -0.479856
     31          6           0        6.470791   -3.012021   -0.538870
     32          6           0        7.726657   -3.595938   -0.358207
     33          6           0        8.847525   -2.794247   -0.117292
     34          6           0        8.708510   -1.404331   -0.054602
     35          6           0        7.454323   -0.812914   -0.234116
     36          7           0        3.874455   -2.053316    1.309454
     37          6           0        3.055764   -2.931953    0.599204
     38          8           0        3.011108   -3.156063   -0.599346
     39          8           0        2.276072   -3.649345    1.511188
     40          6           0        1.352402   -4.627356    0.917713
     41          6           0        0.326265   -3.904870    0.138768
     42          6           0       -0.977550   -3.610977    0.427797
     43          7           0       -1.645117   -2.837190   -0.546105
     44          6           0       -0.858561   -2.542287   -1.563722
     45         16           0        0.784335   -3.165926   -1.378016
     46          6           0       -1.207751    1.361490    2.038198
     47          6           0       -0.956540   -0.118784    2.339985
     48          6           0       -0.128206    2.233452    2.679517
     49          6           0       -5.564367    0.272050    0.692617
     50         16           0       -7.137786    0.231882    1.429054
     51          1           0      -10.453921   -2.610118    1.174409
     52          1           0       -8.732990   -2.991138    1.301346
     53          1           0       -9.412062   -1.635680    2.211757
     54          1           0       -9.318744   -1.839000   -0.887242
     55          1           0      -10.090642    0.548492    0.944806
     56          1           0       -9.913944    0.616359   -0.812977
     57          1           0      -11.171676   -0.390192   -0.082941
     58          1           0       -3.624089   -1.260575   -0.909719
     59          1           0       -4.761995   -1.320713   -2.271775
     60          1           0       -4.876094    0.599092   -3.868865
     61          1           0       -4.345552    2.214775   -3.302904
     62          1           0       -5.783150    1.446524   -2.573490
     63          1           0       -2.345714   -0.104150   -0.013550
     64          1           0       -1.515560    2.777656    0.385410
     65          1           0        0.815648    3.213390    0.153678
     66          1           0        2.087685    1.297397   -1.774756
     67          1           0        1.998110    3.636669   -2.474862
     68          1           0        3.672786    3.168499   -2.221265
     69          1           0        0.943976    5.367940   -1.131614
     70          1           0        1.238846    7.291429    0.402248
     71          1           0        3.376851    7.587894    1.642078
     72          1           0        5.224741    5.951058    1.334558
     73          1           0        4.939310    4.021593   -0.192620
     74          1           0        3.325633    2.186086    0.939346
     75          1           0        4.309621    1.623297   -0.417117
     76          1           0        2.276798   -0.391372   -0.240387
     77          1           0        1.418562    0.091711    1.729682
     78          1           0        4.948310   -0.251829    1.389452
     79          1           0        4.353101   -1.662896   -1.332767
     80          1           0        5.058704   -0.047681   -1.243787
     81          1           0        5.592595   -3.632926   -0.718474
     82          1           0        7.832001   -4.678879   -0.404204
     83          1           0        9.824444   -3.251312    0.021943
     84          1           0        9.579337   -0.779437    0.134268
     85          1           0        7.355270    0.267753   -0.183235
     86          1           0        3.613572   -1.927297    2.300784
     87          1           0        0.960736   -5.139149    1.815603
     88          1           0        1.944020   -5.335336    0.299880
     89          1           0       -1.543973   -3.921489    1.298770
     90          1           0       -1.135952   -1.905494   -2.404651
     91          1           0       -2.199930    1.641095    2.483083
     92          1           0       -1.781367   -0.764659    2.007969
     93          1           0       -0.055109   -0.515345    1.838322
     94          1           0       -0.829167   -0.285106    3.414411
     95          1           0       -0.160947    2.145709    3.774542
     96          1           0        0.888424    1.933763    2.384112
     97          1           0       -0.256072    3.294056    2.441069
     98          1           0       -4.745624    0.810513    1.142820
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0765537      0.0293428      0.0232318
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3637.0867165088 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.254573652976     A.U. after   19 cycles
             Convg  =    0.7561D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000431647   -0.000522887   -0.000549558
      2        6          -0.000400260    0.000659019    0.000919153
      3        6           0.000603250   -0.000474159    0.000092084
      4        6           0.000273094    0.000030035    0.000369021
      5        7          -0.001142502   -0.001309646   -0.000844333
      6        6           0.000994078    0.001426615    0.000772519
      7        6          -0.000154093   -0.000430957   -0.000521016
      8        7          -0.001344923   -0.001374531    0.001233147
      9        6           0.000669225    0.000926892    0.000653894
     10        6           0.000761702   -0.001178184   -0.001697723
     11        8          -0.001350485    0.001506890    0.002601544
     12        7          -0.003317451   -0.005357061    0.003089792
     13        6           0.001032939    0.002680797    0.000910751
     14        6          -0.001564482    0.010334191   -0.001056314
     15        8           0.003815805   -0.006882613    0.000906568
     16        7          -0.002202957   -0.001222742   -0.000223793
     17        6           0.001121100   -0.000756801   -0.001175450
     18        6           0.000509493    0.001081657    0.000728995
     19        6           0.000013784   -0.000136908    0.000209030
     20        6          -0.000194497   -0.000219188    0.000164712
     21        6           0.000166275    0.000210439   -0.000038136
     22        6          -0.000082429   -0.000120523    0.000057609
     23        6          -0.000109006   -0.000004515    0.000013753
     24        6           0.000265310    0.000201879   -0.000096147
     25        6           0.000052775   -0.000982000   -0.001313144
     26        6           0.002691789   -0.001866071    0.001177988
     27        8          -0.000040651    0.000535549    0.001065394
     28        6          -0.003269634   -0.000241119   -0.000059315
     29        6          -0.000497297   -0.000795422   -0.000470921
     30        6          -0.000020624   -0.000185332    0.000048066
     31        6          -0.001173913   -0.000422067    0.000125951
     32        6           0.000225004    0.000374063    0.000108143
     33        6          -0.000062530   -0.000265482   -0.000083152
     34        6           0.000095968    0.000091979   -0.000029064
     35        6          -0.000400005    0.000077844    0.000008220
     36        7           0.002656201   -0.002148937   -0.000184032
     37        6           0.002099878    0.004331612    0.005391028
     38        8          -0.000911480    0.000534630    0.001024858
     39        8          -0.001775222    0.003287933   -0.003256571
     40        6          -0.000618619   -0.002028485   -0.003167074
     41        6          -0.001908603   -0.001815502    0.001052686
     42        6           0.000425828    0.002943312   -0.002117657
     43        7           0.000800735   -0.000686328   -0.000889454
     44        6          -0.000828108   -0.003947650   -0.000221991
     45       16           0.003959538    0.000968004   -0.000821639
     46        6           0.000560653    0.003234118   -0.000259940
     47        6          -0.002385901    0.001752683   -0.002547751
     48        6          -0.000108748   -0.000755798    0.001033072
     49        6           0.000667409   -0.000347072    0.000131858
     50       16          -0.000579709    0.000332779   -0.000473483
     51        1           0.000084099    0.000163094    0.000065253
     52        1          -0.000347020    0.000139266    0.000026648
     53        1          -0.000228720    0.000204380   -0.000352638
     54        1          -0.000012390   -0.000227064    0.000224305
     55        1          -0.000364449    0.000198782   -0.000028199
     56        1           0.000042691   -0.000013863   -0.000242216
     57        1          -0.000135515    0.000044447   -0.000160938
     58        1           0.001299090   -0.000764759   -0.001623462
     59        1           0.000322333    0.000462382    0.000088862
     60        1           0.000202843   -0.000042720   -0.000350467
     61        1          -0.000355588   -0.000067681   -0.000353149
     62        1           0.000142540    0.000259794    0.000053696
     63        1          -0.001403145   -0.000381165   -0.000812522
     64        1           0.001293627    0.001818530    0.000125069
     65        1          -0.000673992   -0.000283717   -0.000214640
     66        1          -0.000382309    0.000110665   -0.000319724
     67        1          -0.000031655   -0.000179232    0.000186846
     68        1          -0.000021919   -0.000032692    0.000145942
     69        1          -0.000001394    0.000099016   -0.000011764
     70        1          -0.000102958    0.000032539   -0.000009318
     71        1           0.000029248    0.000026827   -0.000025554
     72        1           0.000061619    0.000004375   -0.000008123
     73        1          -0.000020677    0.000036377    0.000005606
     74        1          -0.000115123    0.000276342   -0.000763462
     75        1           0.001039168    0.000057823    0.000565911
     76        1           0.001445774    0.001415797   -0.000402154
     77        1          -0.000310476    0.000900526   -0.000786612
     78        1          -0.000570479    0.000747941   -0.000393309
     79        1           0.000259735   -0.000057011   -0.000883985
     80        1          -0.000240652   -0.000378118    0.000497075
     81        1          -0.000085638    0.000520551    0.000114107
     82        1           0.000037486   -0.000128763   -0.000072887
     83        1          -0.000001854   -0.000000474   -0.000002387
     84        1          -0.000002348   -0.000010843    0.000018405
     85        1           0.000130375    0.000015980   -0.000015900
     86        1          -0.000809900   -0.000837807    0.000969994
     87        1           0.000416169   -0.001251543    0.000669967
     88        1           0.000498011   -0.000814520    0.000547232
     89        1           0.000024335   -0.000383156   -0.000010281
     90        1          -0.000908838    0.001174863    0.003023044
     91        1           0.000070953    0.000228211   -0.000048122
     92        1           0.000976544   -0.001099295   -0.000545976
     93        1           0.000610230   -0.001947224   -0.001051441
     94        1           0.000286920   -0.000202162    0.000921546
     95        1           0.000163777   -0.000239884   -0.000461668
     96        1          -0.000205981   -0.000234530   -0.000197627
     97        1          -0.000156682   -0.000398739    0.000176038
     98        1          -0.000397217   -0.000006491   -0.000069201
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.010334191 RMS     0.001368673

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.013077339 RMS     0.001947025
 Search for a local minimum.
 Step number  52 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   50   49   52   51
 DE=  1.29D-03 DEPred=-2.16D-03 R=-5.97D-01
 Trust test=-5.97D-01 RLast= 3.67D-01 DXMaxT set to 2.63D-01
 Use linear search instead of GDIIS.
 Quartic linear search produced a step of -0.70314.
 Iteration  1 RMS(Cart)=  0.10252652 RMS(Int)=  0.00153626
 Iteration  2 RMS(Cart)=  0.00420199 RMS(Int)=  0.00001110
 Iteration  3 RMS(Cart)=  0.00000805 RMS(Int)=  0.00001051
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001051
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89731  -0.00081  -0.00122   0.00000  -0.00122   2.89609
    R2        2.07123   0.00018   0.00017   0.00000   0.00017   2.07139
    R3        2.07214   0.00035   0.00140   0.00000   0.00140   2.07354
    R4        2.07328  -0.00040  -0.00085   0.00000  -0.00085   2.07243
    R5        2.89229   0.00034   0.00147   0.00000   0.00147   2.89376
    R6        2.82785  -0.00015   0.00058   0.00000   0.00058   2.82842
    R7        2.13276  -0.00029  -0.00119   0.00000  -0.00119   2.13156
    R8        2.07330  -0.00029  -0.00080   0.00000  -0.00080   2.07250
    R9        2.07261   0.00024   0.00031   0.00000   0.00031   2.07291
   R10        2.07272  -0.00010  -0.00051   0.00000  -0.00051   2.07221
   R11        2.47652  -0.00011   0.00062   0.00000   0.00062   2.47714
   R12        3.37461  -0.00011   0.00022   0.00000   0.00022   3.37483
   R13        2.68899  -0.00170  -0.00262   0.00000  -0.00262   2.68637
   R14        2.84089  -0.00054   0.00109   0.00000   0.00109   2.84197
   R15        2.57937  -0.00009   0.00056   0.00000   0.00056   2.57994
   R16        2.80895  -0.00190   0.00060   0.00000   0.00060   2.80956
   R17        2.12515  -0.00194  -0.00239   0.00000  -0.00239   2.12276
   R18        2.11669   0.00040   0.00004   0.00000   0.00004   2.11673
   R19        2.81188   0.00064   0.00211   0.00000   0.00211   2.81399
   R20        2.68783  -0.00057   0.00013   0.00000   0.00013   2.68796
   R21        2.08271   0.00004  -0.00064   0.00000  -0.00064   2.08207
   R22        2.09120   0.00034   0.00035   0.00000   0.00035   2.09154
   R23        2.08250   0.00015   0.00004   0.00000   0.00004   2.08254
   R24        2.31918  -0.00314   0.00041   0.00000   0.00041   2.31959
   R25        2.68914  -0.00022   0.00271   0.00000   0.00271   2.69185
   R26        2.80977  -0.00782  -0.00376   0.00000  -0.00376   2.80601
   R27        1.94899  -0.00012   0.00574   0.00000   0.00574   1.95473
   R28        2.91539  -0.00247   0.00158   0.00000   0.00158   2.91698
   R29        2.94903  -0.00289   0.00201   0.00000   0.00201   2.95105
   R30        2.13545  -0.00058  -0.00004   0.00000  -0.00004   2.13541
   R31        2.32766  -0.00770  -0.00376   0.00000  -0.00376   2.32391
   R32        2.61802   0.00149   0.00085   0.00000   0.00085   2.61887
   R33        2.81773  -0.00342  -0.00343   0.00000  -0.00343   2.81430
   R34        1.92380  -0.00007   0.00109   0.00000   0.00109   1.92489
   R35        2.92403  -0.00168  -0.00165   0.00000  -0.00165   2.92239
   R36        2.91437  -0.00086  -0.00132   0.00000  -0.00132   2.91305
   R37        2.13399   0.00025  -0.00325   0.00000  -0.00325   2.13074
   R38        2.84088  -0.00009  -0.00003   0.00000  -0.00003   2.84085
   R39        2.10470  -0.00022  -0.00131   0.00000  -0.00131   2.10339
   R40        2.09790  -0.00004   0.00072   0.00000   0.00072   2.09862
   R41        2.65359  -0.00024  -0.00070   0.00000  -0.00070   2.65289
   R42        2.65294  -0.00030  -0.00112   0.00000  -0.00112   2.65182
   R43        2.64105  -0.00019  -0.00057   0.00000  -0.00057   2.64049
   R44        2.05881   0.00007  -0.00019   0.00000  -0.00019   2.05863
   R45        2.64193   0.00009   0.00011   0.00000   0.00011   2.64204
   R46        2.05931  -0.00010  -0.00019   0.00000  -0.00019   2.05912
   R47        2.64281   0.00003  -0.00037   0.00000  -0.00037   2.64244
   R48        2.05629  -0.00002   0.00002   0.00000   0.00002   2.05631
   R49        2.64046   0.00003  -0.00006   0.00000  -0.00006   2.64040
   R50        2.05871  -0.00005   0.00002   0.00000   0.00002   2.05874
   R51        2.05531   0.00003   0.00015   0.00000   0.00015   2.05546
   R52        2.89359   0.00112  -0.00229   0.00000  -0.00229   2.89130
   R53        2.10394  -0.00057  -0.00266   0.00000  -0.00266   2.10129
   R54        2.09644  -0.00117  -0.00225   0.00000  -0.00225   2.09419
   R55        2.73372  -0.00048  -0.00425   0.00000  -0.00425   2.72947
   R56        2.93392   0.00254   0.00884   0.00000   0.00884   2.94277
   R57        2.10792   0.00188   0.00499   0.00000   0.00499   2.11291
   R58        1.87804   0.00008   0.00675   0.00000   0.00675   1.88479
   R59        2.90702   0.00104  -0.00338   0.00000  -0.00338   2.90364
   R60        2.82785   0.00133   0.01074   0.00000   0.01074   2.83859
   R61        2.12728  -0.00061  -0.00157   0.00000  -0.00157   2.12571
   R62        2.83969   0.00126  -0.00045   0.00000  -0.00045   2.83924
   R63        2.11488   0.00012  -0.00127   0.00000  -0.00127   2.11362
   R64        2.09617  -0.00032  -0.00055   0.00000  -0.00055   2.09562
   R65        2.65201   0.00084  -0.00085   0.00000  -0.00085   2.65115
   R66        2.65031   0.00010   0.00012   0.00000   0.00012   2.65043
   R67        2.63940  -0.00014  -0.00059   0.00000  -0.00059   2.63881
   R68        2.06059   0.00041   0.00144   0.00000   0.00144   2.06203
   R69        2.64366   0.00012   0.00013   0.00000   0.00013   2.64378
   R70        2.05796  -0.00015  -0.00036   0.00000  -0.00036   2.05760
   R71        2.64232  -0.00021  -0.00018   0.00000  -0.00018   2.64214
   R72        2.05509   0.00000  -0.00008   0.00000  -0.00008   2.05501
   R73        2.64223  -0.00016  -0.00056   0.00000  -0.00056   2.64166
   R74        2.05668   0.00001   0.00001   0.00000   0.00001   2.05669
   R75        2.05298   0.00005   0.00016   0.00000   0.00016   2.05314
   R76        2.63663   0.00249   0.02180   0.00000   0.02180   2.65843
   R77        1.95171   0.00082   0.00891   0.00000   0.00891   1.96062
   R78        2.30573  -0.00023  -0.00728   0.00000  -0.00728   2.29845
   R79        2.64176  -0.00512  -0.00045   0.00000  -0.00045   2.64131
   R80        2.77853  -0.00516  -0.01102   0.00000  -0.01102   2.76751
   R81        2.79123   0.00087  -0.00351   0.00000  -0.00351   2.78772
   R82        2.08859   0.00067   0.00222   0.00000   0.00222   2.09081
   R83        2.09833  -0.00096  -0.00046   0.00000  -0.00046   2.09787
   R84        2.58405   0.00125   0.00226   0.00000   0.00225   2.58631
   R85        3.30378  -0.00032  -0.01013   0.00000  -0.01014   3.29364
   R86        2.66771  -0.00081  -0.00370   0.00000  -0.00369   2.66402
   R87        2.04915   0.00000   0.00053   0.00000   0.00053   2.04968
   R88        2.49357  -0.00179   0.00185   0.00000   0.00187   2.49543
   R89        3.33927  -0.00210  -0.00710   0.00000  -0.00709   3.33218
   R90        2.06111  -0.00310  -0.00465   0.00000  -0.00465   2.05647
   R91        2.89405  -0.00279   0.00647   0.00000   0.00647   2.90052
   R92        2.88889   0.00162   0.00073   0.00000   0.00073   2.88961
   R93        2.12165   0.00004  -0.00186   0.00000  -0.00186   2.11979
   R94        2.07675  -0.00060   0.00294   0.00000   0.00294   2.07969
   R95        2.08856  -0.00072  -0.00296   0.00000  -0.00296   2.08560
   R96        2.06861   0.00091   0.00120   0.00000   0.00120   2.06981
   R97        2.07685  -0.00028  -0.00180   0.00000  -0.00180   2.07505
   R98        2.07923   0.00023  -0.00182   0.00000  -0.00182   2.07740
   R99        2.06844   0.00005  -0.00012   0.00000  -0.00012   2.06832
   R100       3.28378  -0.00050  -0.00125   0.00000  -0.00125   3.28252
   R101       2.03790   0.00019   0.00001   0.00000   0.00001   2.03791
    A1        1.93328   0.00014   0.00105   0.00000   0.00105   1.93434
    A2        1.94603  -0.00016  -0.00052   0.00000  -0.00052   1.94552
    A3        1.96167  -0.00026  -0.00082   0.00000  -0.00082   1.96086
    A4        1.87466   0.00001  -0.00045   0.00000  -0.00045   1.87420
    A5        1.86877   0.00014   0.00127   0.00000   0.00127   1.87004
    A6        1.87521   0.00015  -0.00050   0.00000  -0.00050   1.87471
    A7        1.95047   0.00023   0.00050   0.00000   0.00050   1.95098
    A8        1.92451   0.00004  -0.00050   0.00000  -0.00050   1.92401
    A9        1.88850  -0.00012  -0.00061   0.00000  -0.00061   1.88789
   A10        1.93176  -0.00035   0.00002   0.00000   0.00002   1.93178
   A11        1.88799   0.00008   0.00010   0.00000   0.00010   1.88810
   A12        1.87825   0.00012   0.00049   0.00000   0.00049   1.87874
   A13        1.96458  -0.00039  -0.00139   0.00000  -0.00139   1.96318
   A14        1.94492   0.00012   0.00063   0.00000   0.00063   1.94556
   A15        1.93457   0.00002  -0.00055   0.00000  -0.00055   1.93401
   A16        1.87418   0.00010   0.00061   0.00000   0.00061   1.87479
   A17        1.86558   0.00025   0.00173   0.00000   0.00173   1.86731
   A18        1.87559  -0.00008  -0.00095   0.00000  -0.00095   1.87464
   A19        2.20993   0.00007  -0.00023   0.00000  -0.00023   2.20970
   A20        2.11538   0.00021   0.00111   0.00000   0.00111   2.11649
   A21        1.95787  -0.00028  -0.00089   0.00000  -0.00089   1.95698
   A22        1.96213   0.00005  -0.00006   0.00000  -0.00006   1.96206
   A23        2.04641  -0.00094   0.00004   0.00000   0.00004   2.04646
   A24        2.00772   0.00063   0.00145   0.00000   0.00145   2.00917
   A25        2.22899   0.00031  -0.00151   0.00000  -0.00151   2.22748
   A26        1.98153   0.00131   0.00192   0.00000   0.00192   1.98345
   A27        1.91976   0.00017  -0.00458   0.00000  -0.00458   1.91518
   A28        1.92390  -0.00084  -0.00177   0.00000  -0.00177   1.92213
   A29        1.93069  -0.00128  -0.00385   0.00000  -0.00385   1.92685
   A30        1.87573   0.00009   0.00017   0.00000   0.00017   1.87591
   A31        1.82532   0.00046   0.00876   0.00000   0.00876   1.83408
   A32        1.99488  -0.00154  -0.00312   0.00000  -0.00311   1.99177
   A33        2.11682   0.00069  -0.00342   0.00000  -0.00341   2.11341
   A34        2.00504   0.00089  -0.00117   0.00000  -0.00116   2.00389
   A35        1.89475   0.00050   0.00043   0.00000   0.00043   1.89517
   A36        1.92334  -0.00023  -0.00037   0.00000  -0.00037   1.92297
   A37        1.96595   0.00008   0.00137   0.00000   0.00137   1.96732
   A38        1.89323  -0.00032  -0.00173   0.00000  -0.00173   1.89151
   A39        1.90195  -0.00028  -0.00100   0.00000  -0.00100   1.90095
   A40        1.88333   0.00022   0.00116   0.00000   0.00116   1.88449
   A41        2.12794  -0.00015  -0.00208   0.00000  -0.00208   2.12587
   A42        2.04076   0.00228   0.00587   0.00000   0.00587   2.04663
   A43        2.11429  -0.00215  -0.00367   0.00000  -0.00367   2.11062
   A44        2.05241  -0.00375  -0.01305   0.00000  -0.01304   2.03937
   A45        2.06211   0.00211   0.00313   0.00000   0.00314   2.06525
   A46        1.98303   0.00055   0.00444   0.00000   0.00445   1.98748
   A47        1.92227  -0.00266   0.00134   0.00000   0.00134   1.92361
   A48        1.91215   0.00109  -0.00509   0.00000  -0.00509   1.90705
   A49        1.88934  -0.00042  -0.00723   0.00000  -0.00723   1.88211
   A50        1.94125  -0.00109   0.00015   0.00000   0.00016   1.94140
   A51        1.90401   0.00278   0.00496   0.00000   0.00496   1.90897
   A52        1.89384   0.00037   0.00571   0.00000   0.00573   1.89957
   A53        2.14307  -0.00506  -0.00174   0.00000  -0.00172   2.14134
   A54        2.02827   0.00887   0.00750   0.00000   0.00752   2.03579
   A55        2.11141  -0.00373  -0.00546   0.00000  -0.00544   2.10597
   A56        2.11360  -0.01097  -0.00279   0.00000  -0.00278   2.11081
   A57        2.12051   0.00607   0.00389   0.00000   0.00390   2.12440
   A58        2.04332   0.00466  -0.00048   0.00000  -0.00048   2.04284
   A59        1.91334   0.00360   0.00015   0.00000   0.00015   1.91350
   A60        1.93744  -0.00500   0.00177   0.00000   0.00177   1.93921
   A61        1.86828  -0.00059  -0.00208   0.00000  -0.00208   1.86621
   A62        1.95803   0.00300  -0.00204   0.00000  -0.00204   1.95599
   A63        1.88600  -0.00088   0.00140   0.00000   0.00140   1.88739
   A64        1.89775  -0.00023   0.00079   0.00000   0.00079   1.89854
   A65        1.99798  -0.00057   0.00166   0.00000   0.00166   1.99964
   A66        1.89331   0.00020   0.00050   0.00000   0.00050   1.89381
   A67        1.89907   0.00011   0.00032   0.00000   0.00032   1.89939
   A68        1.91975   0.00011  -0.00154   0.00000  -0.00154   1.91820
   A69        1.92305   0.00020  -0.00154   0.00000  -0.00154   1.92150
   A70        1.82218   0.00000   0.00054   0.00000   0.00055   1.82272
   A71        2.09414  -0.00010  -0.00084   0.00000  -0.00084   2.09329
   A72        2.10384   0.00004   0.00045   0.00000   0.00045   2.10429
   A73        2.08517   0.00006   0.00039   0.00000   0.00039   2.08556
   A74        2.09672   0.00008   0.00000   0.00000   0.00000   2.09672
   A75        2.09802  -0.00011   0.00004   0.00000   0.00004   2.09806
   A76        2.08835   0.00003  -0.00003   0.00000  -0.00003   2.08831
   A77        2.09885  -0.00005  -0.00015   0.00000  -0.00015   2.09870
   A78        2.09047   0.00002   0.00023   0.00000   0.00023   2.09070
   A79        2.09385   0.00003  -0.00007   0.00000  -0.00007   2.09378
   A80        2.08978  -0.00006  -0.00006   0.00000  -0.00006   2.08972
   A81        2.09728  -0.00001  -0.00014   0.00000  -0.00014   2.09714
   A82        2.09611   0.00007   0.00020   0.00000   0.00020   2.09631
   A83        2.09934  -0.00005  -0.00007   0.00000  -0.00007   2.09927
   A84        2.09308  -0.00002   0.00011   0.00000   0.00011   2.09319
   A85        2.09076   0.00007  -0.00004   0.00000  -0.00004   2.09072
   A86        2.09644   0.00001  -0.00011   0.00000  -0.00011   2.09633
   A87        2.09781  -0.00004   0.00023   0.00000   0.00023   2.09804
   A88        2.08893   0.00002  -0.00013   0.00000  -0.00013   2.08880
   A89        1.95226  -0.01030   0.00510   0.00000   0.00510   1.95736
   A90        1.93260   0.00387  -0.00310   0.00000  -0.00310   1.92950
   A91        1.90773   0.00208  -0.00159   0.00000  -0.00159   1.90615
   A92        1.89181   0.00121   0.00043   0.00000   0.00043   1.89224
   A93        1.93724   0.00548  -0.00226   0.00000  -0.00227   1.93498
   A94        1.83901  -0.00169   0.00112   0.00000   0.00112   1.84013
   A95        1.87252  -0.00160   0.00301   0.00000   0.00301   1.87554
   A96        1.98300   0.00937   0.00850   0.00000   0.00850   1.99150
   A97        1.95531  -0.00298  -0.00349   0.00000  -0.00348   1.95182
   A98        1.80481  -0.00185  -0.00395   0.00000  -0.00394   1.80087
   A99        1.90789   0.00077  -0.00645   0.00000  -0.00645   1.90144
   A100       1.93204  -0.00374   0.00169   0.00000   0.00170   1.93374
   A101       1.93204  -0.00225  -0.00898   0.00000  -0.00898   1.92306
   A102       1.93157   0.00060   0.00275   0.00000   0.00276   1.93433
   A103       1.90795  -0.00854  -0.00176   0.00000  -0.00174   1.90621
   A104       1.90820   0.00428   0.00267   0.00000   0.00267   1.91087
   A105       1.94423   0.00629   0.01046   0.00000   0.01046   1.95469
   A106       1.92884  -0.00326  -0.00957   0.00000  -0.00958   1.91926
   A107       1.84072   0.00056  -0.00496   0.00000  -0.00497   1.83575
   A108       1.94659   0.00038  -0.00095   0.00000  -0.00094   1.94564
   A109       1.91751   0.00041   0.00146   0.00000   0.00146   1.91897
   A110       1.92165  -0.00056  -0.00279   0.00000  -0.00279   1.91886
   A111       1.91460   0.00021   0.00164   0.00000   0.00164   1.91624
   A112       1.93184  -0.00041  -0.00086   0.00000  -0.00085   1.93099
   A113       1.82809  -0.00006   0.00167   0.00000   0.00167   1.82977
   A114       2.08502   0.00172   0.00212   0.00000   0.00212   2.08714
   A115       2.10623  -0.00114  -0.00203   0.00000  -0.00203   2.10420
   A116       2.09194  -0.00057  -0.00009   0.00000  -0.00009   2.09185
   A117       2.09362   0.00013  -0.00001   0.00000  -0.00001   2.09361
   A118       2.08656   0.00027   0.00046   0.00000   0.00046   2.08702
   A119       2.10298  -0.00040  -0.00046   0.00000  -0.00046   2.10252
   A120       2.09800   0.00006   0.00019   0.00000   0.00019   2.09819
   A121       2.09122   0.00001  -0.00042   0.00000  -0.00042   2.09080
   A122       2.09397  -0.00006   0.00023   0.00000   0.00023   2.09420
   A123       2.09175  -0.00004  -0.00010   0.00000  -0.00010   2.09165
   A124       2.09548   0.00002   0.00021   0.00000   0.00021   2.09569
   A125       2.09596   0.00002  -0.00011   0.00000  -0.00011   2.09585
   A126       2.09888   0.00005  -0.00030   0.00000  -0.00030   2.09858
   A127       2.09321  -0.00003  -0.00009   0.00000  -0.00009   2.09312
   A128       2.09109  -0.00002   0.00039   0.00000   0.00039   2.09148
   A129       2.09217   0.00037   0.00032   0.00000   0.00032   2.09248
   A130       2.10063  -0.00031  -0.00066   0.00000  -0.00066   2.09997
   A131       2.09039  -0.00006   0.00035   0.00000   0.00035   2.09073
   A132       2.06399  -0.00507   0.01002   0.00000   0.01003   2.07402
   A133       1.95710   0.00185  -0.00050   0.00000  -0.00049   1.95661
   A134       2.00119  -0.00001  -0.00292   0.00000  -0.00291   1.99829
   A135       2.26164   0.00122   0.00125   0.00000   0.00125   2.26289
   A136       1.89477  -0.00026   0.00647   0.00000   0.00647   1.90124
   A137       2.12487  -0.00063  -0.00768   0.00000  -0.00768   2.11719
   A138       2.01351  -0.00160  -0.01949   0.00000  -0.01949   1.99403
   A139       1.90068  -0.00583  -0.02151   0.00000  -0.02149   1.87918
   A140       1.77493   0.00126   0.01533   0.00000   0.01531   1.79024
   A141       1.89018   0.00144  -0.00336   0.00000  -0.00332   1.88686
   A142       1.99187  -0.00119   0.00662   0.00000   0.00660   1.99847
   A143       1.96990   0.00420   0.00114   0.00000   0.00119   1.97108
   A144       1.92366  -0.00026   0.00161   0.00000   0.00162   1.92529
   A145       2.28638  -0.00177  -0.01123   0.00000  -0.01117   2.27521
   A146       2.07402   0.00380   0.01117   0.00000   0.01125   2.08526
   A147       1.92023  -0.00209  -0.00262   0.00000  -0.00257   1.91765
   A148       2.00741   0.00156   0.00194   0.00000   0.00194   2.00935
   A149       2.22218  -0.00079  -0.00535   0.00000  -0.00534   2.21683
   A150       2.05338  -0.00074   0.00351   0.00000   0.00351   2.05689
   A151       1.95266  -0.00128  -0.00215   0.00000  -0.00211   1.95055
   A152       1.97608   0.00124  -0.00099   0.00000  -0.00094   1.97514
   A153       2.18154  -0.00076   0.00014   0.00000   0.00014   2.18168
   A154       2.12179  -0.00032   0.00211   0.00000   0.00212   2.12391
   A155       1.56754   0.00062   0.00421   0.00000   0.00422   1.57177
   A156       1.97881  -0.00305  -0.00736   0.00000  -0.00735   1.97145
   A157       1.92157   0.00225   0.00613   0.00000   0.00613   1.92770
   A158       1.85265   0.00023  -0.00296   0.00000  -0.00296   1.84969
   A159       1.93137   0.00002   0.00485   0.00000   0.00485   1.93622
   A160       1.88346   0.00145   0.00526   0.00000   0.00526   1.88872
   A161       1.89207  -0.00085  -0.00640   0.00000  -0.00640   1.88567
   A162       1.96646  -0.00136  -0.01341   0.00000  -0.01340   1.95305
   A163       1.97268  -0.00249  -0.00300   0.00000  -0.00299   1.96969
   A164       1.93838   0.00074   0.00493   0.00000   0.00492   1.94330
   A165       1.83812   0.00221   0.00452   0.00000   0.00454   1.84266
   A166       1.86980   0.00032   0.00687   0.00000   0.00686   1.87666
   A167       1.87140   0.00085   0.00101   0.00000   0.00101   1.87241
   A168       1.92987   0.00024  -0.00091   0.00000  -0.00091   1.92896
   A169       1.96546   0.00021   0.00042   0.00000   0.00042   1.96587
   A170       1.95930   0.00044   0.00152   0.00000   0.00152   1.96081
   A171       1.84760  -0.00009   0.00130   0.00000   0.00130   1.84891
   A172       1.86600  -0.00050  -0.00271   0.00000  -0.00271   1.86329
   A173       1.88954  -0.00037   0.00021   0.00000   0.00022   1.88975
   A174       1.91915  -0.00048  -0.00126   0.00000  -0.00125   1.91790
   A175       2.24392  -0.00010  -0.00395   0.00000  -0.00394   2.23997
   A176       2.12006   0.00058   0.00525   0.00000   0.00526   2.12531
   A177       1.57790   0.00009   0.00076   0.00000   0.00076   1.57866
    D1        1.10508   0.00015   0.00771   0.00000   0.00771   1.11279
    D2       -3.02172  -0.00012   0.00773   0.00000   0.00773  -3.01400
    D3       -0.97178  -0.00002   0.00767   0.00000   0.00767  -0.96410
    D4       -3.09141   0.00016   0.00750   0.00000   0.00750  -3.08391
    D5       -0.93503  -0.00011   0.00752   0.00000   0.00752  -0.92751
    D6        1.11492  -0.00001   0.00746   0.00000   0.00746   1.12238
    D7       -0.98457   0.00005   0.00592   0.00000   0.00592  -0.97865
    D8        1.17182  -0.00021   0.00593   0.00000   0.00593   1.17775
    D9       -3.06142  -0.00011   0.00588   0.00000   0.00588  -3.05554
   D10        1.01172   0.00000   0.00203   0.00000   0.00203   1.01375
   D11        3.11849  -0.00005   0.00229   0.00000   0.00229   3.12078
   D12       -1.07670  -0.00006   0.00115   0.00000   0.00115  -1.07555
   D13       -1.14057   0.00004   0.00231   0.00000   0.00231  -1.13826
   D14        0.96620  -0.00001   0.00257   0.00000   0.00257   0.96877
   D15        3.05419  -0.00002   0.00142   0.00000   0.00142   3.05562
   D16        3.08888   0.00005   0.00164   0.00000   0.00164   3.09052
   D17       -1.08754  -0.00001   0.00191   0.00000   0.00191  -1.08563
   D18        1.00045  -0.00002   0.00076   0.00000   0.00076   1.00121
   D19        2.03176  -0.00001  -0.00177   0.00000  -0.00177   2.02999
   D20       -1.10658  -0.00007   0.00198   0.00000   0.00198  -1.10460
   D21       -2.08421   0.00007  -0.00147   0.00000  -0.00147  -2.08568
   D22        1.06063   0.00001   0.00228   0.00000   0.00228   1.06292
   D23       -0.02451   0.00005  -0.00104   0.00000  -0.00104  -0.02556
   D24        3.12033  -0.00002   0.00271   0.00000   0.00271   3.12304
   D25       -3.13919   0.00010   0.00272   0.00000   0.00273  -3.13647
   D26       -0.00060   0.00016  -0.00074   0.00000  -0.00073  -0.00134
   D27        3.13731  -0.00002  -0.00055   0.00000  -0.00055   3.13676
   D28       -0.00146  -0.00008   0.00270   0.00000   0.00270   0.00124
   D29        3.13435  -0.00016  -0.00449   0.00000  -0.00449   3.12986
   D30        0.00319  -0.00019  -0.00242   0.00000  -0.00242   0.00077
   D31        2.08942   0.00026   0.00724   0.00000   0.00725   2.09666
   D32       -2.01985  -0.00033   0.00004   0.00000   0.00004  -2.01980
   D33       -0.01599  -0.00014   0.00699   0.00000   0.00699  -0.00900
   D34       -1.06412   0.00030   0.00490   0.00000   0.00490  -1.05922
   D35        1.10981  -0.00029  -0.00230   0.00000  -0.00230   1.10751
   D36        3.11366  -0.00011   0.00465   0.00000   0.00465   3.11831
   D37       -0.00420   0.00012   0.00440   0.00000   0.00439   0.00020
   D38       -3.13389  -0.00003  -0.00603   0.00000  -0.00604  -3.13992
   D39       -3.13407   0.00010   0.00670   0.00000   0.00670  -3.12737
   D40        0.01942  -0.00006  -0.00372   0.00000  -0.00373   0.01570
   D41       -1.23327   0.00013   0.01786   0.00000   0.01786  -1.21541
   D42        1.28939   0.00046   0.00494   0.00000   0.00494   1.29433
   D43        2.88190  -0.00008   0.02547   0.00000   0.02548   2.90737
   D44       -0.87863   0.00026   0.01256   0.00000   0.01256  -0.86607
   D45        0.89907  -0.00003   0.01698   0.00000   0.01698   0.91605
   D46       -2.86145   0.00031   0.00406   0.00000   0.00406  -2.85739
   D47       -1.15995   0.00007  -0.00789   0.00000  -0.00789  -1.16783
   D48        3.05212   0.00029  -0.00583   0.00000  -0.00583   3.04629
   D49        0.94796   0.00011  -0.00797   0.00000  -0.00797   0.93999
   D50        2.55986  -0.00025   0.00496   0.00000   0.00496   2.56483
   D51        0.48874  -0.00002   0.00702   0.00000   0.00702   0.49576
   D52       -1.61542  -0.00020   0.00488   0.00000   0.00488  -1.61054
   D53       -2.79737  -0.00011   0.04037   0.00000   0.04037  -2.75701
   D54        0.36487   0.00051   0.03175   0.00000   0.03175   0.39663
   D55       -0.27804  -0.00057   0.02672   0.00000   0.02672  -0.25132
   D56        2.88421   0.00005   0.01811   0.00000   0.01811   2.90232
   D57        2.82794  -0.00117   0.03744   0.00000   0.03744   2.86538
   D58        0.34242   0.00035   0.04422   0.00000   0.04423   0.38664
   D59       -0.29317  -0.00058   0.02889   0.00000   0.02889  -0.26428
   D60       -2.77869   0.00094   0.03567   0.00000   0.03568  -2.74302
   D61       -1.46932  -0.00133   0.00174   0.00000   0.00174  -1.46758
   D62        2.67324   0.00106   0.00404   0.00000   0.00403   2.67727
   D63        0.61100   0.00024   0.00416   0.00000   0.00417   0.61517
   D64        1.04490  -0.00211  -0.00485   0.00000  -0.00486   1.04004
   D65       -1.09573   0.00028  -0.00256   0.00000  -0.00256  -1.09829
   D66        3.12522  -0.00054  -0.00243   0.00000  -0.00243   3.12279
   D67       -0.52617  -0.00055  -0.02001   0.00000  -0.02000  -0.54617
   D68        2.58399   0.00223  -0.00208   0.00000  -0.00208   2.58191
   D69        1.59725  -0.00171  -0.02543   0.00000  -0.02542   1.57183
   D70       -1.57577   0.00107  -0.00750   0.00000  -0.00750  -1.58328
   D71       -2.59752  -0.00014  -0.01499   0.00000  -0.01499  -2.61251
   D72        0.51264   0.00264   0.00293   0.00000   0.00293   0.51557
   D73        1.06477  -0.00021   0.00859   0.00000   0.00858   1.07335
   D74       -3.04421  -0.00070   0.01425   0.00000   0.01425  -3.02996
   D75       -0.99990  -0.00042   0.00815   0.00000   0.00815  -0.99175
   D76       -1.06454   0.00313   0.01024   0.00000   0.01024  -1.05430
   D77        1.10967   0.00264   0.01590   0.00000   0.01590   1.12558
   D78       -3.12920   0.00291   0.00980   0.00000   0.00981  -3.11939
   D79        3.12420   0.00013   0.00029   0.00000   0.00029   3.12449
   D80       -0.98478  -0.00036   0.00595   0.00000   0.00596  -0.97882
   D81        1.05954  -0.00009  -0.00015   0.00000  -0.00014   1.05940
   D82        3.12054  -0.00312  -0.02583   0.00000  -0.02583   3.09471
   D83        0.09749  -0.00108  -0.03247   0.00000  -0.03248   0.06501
   D84       -0.05187  -0.00043  -0.00824   0.00000  -0.00823  -0.06011
   D85       -3.07493   0.00162  -0.01488   0.00000  -0.01488  -3.08981
   D86        2.56212   0.00093   0.02589   0.00000   0.02588   2.58800
   D87       -1.54813   0.00383   0.02462   0.00000   0.02462  -1.52351
   D88        0.52054   0.00041   0.02531   0.00000   0.02531   0.54585
   D89       -0.69296  -0.00088   0.03253   0.00000   0.03253  -0.66044
   D90        1.47997   0.00203   0.03126   0.00000   0.03126   1.51123
   D91       -2.73454  -0.00140   0.03195   0.00000   0.03195  -2.70259
   D92        1.04702  -0.00084  -0.00009   0.00000  -0.00009   1.04693
   D93       -1.10401  -0.00073   0.00038   0.00000   0.00038  -1.10363
   D94       -3.07640  -0.00090  -0.00067   0.00000  -0.00067  -3.07707
   D95       -1.11390   0.00087  -0.00105   0.00000  -0.00105  -1.11495
   D96        3.01826   0.00098  -0.00058   0.00000  -0.00058   3.01768
   D97        1.04587   0.00082  -0.00163   0.00000  -0.00163   1.04423
   D98        3.07743  -0.00010  -0.00170   0.00000  -0.00170   3.07574
   D99        0.92640   0.00002  -0.00123   0.00000  -0.00123   0.92518
   D100      -1.04598  -0.00015  -0.00228   0.00000  -0.00228  -1.04826
   D101       1.23741  -0.00561   0.02006   0.00000   0.02006   1.25748
   D102      -0.87474  -0.00281   0.01819   0.00000   0.01819  -0.85655
   D103      -2.89314  -0.00418   0.01953   0.00000   0.01953  -2.87362
   D104      -2.89837  -0.00245   0.02009   0.00000   0.02009  -2.87828
   D105       1.27266   0.00036   0.01822   0.00000   0.01822   1.29088
   D106      -0.74574  -0.00102   0.01955   0.00000   0.01955  -0.72619
   D107      -0.81338  -0.00183   0.02108   0.00000   0.02108  -0.79230
   D108      -2.92554   0.00097   0.01921   0.00000   0.01921  -2.90633
   D109       1.33924  -0.00041   0.02055   0.00000   0.02055   1.35979
   D110      -1.66000   0.00002  -0.00710   0.00000  -0.00710  -1.66710
   D111       1.49049  -0.00001  -0.00638   0.00000  -0.00638   1.48411
   D112       0.47674  -0.00005  -0.00645   0.00000  -0.00644   0.47029
   D113      -2.65596  -0.00008  -0.00572   0.00000  -0.00572  -2.66168
   D114       2.47630   0.00013  -0.00754   0.00000  -0.00754   2.46876
   D115      -0.65640   0.00010  -0.00681   0.00000  -0.00681  -0.66321
   D116       3.14030  -0.00001   0.00017   0.00000   0.00017   3.14048
   D117      -0.01647  -0.00001   0.00062   0.00000   0.00062  -0.01585
   D118      -0.01009   0.00002  -0.00055   0.00000  -0.00055  -0.01063
   D119       3.11632   0.00001  -0.00010   0.00000  -0.00010   3.11623
   D120      -3.13984   0.00001  -0.00041   0.00000  -0.00041  -3.14025
   D121       0.00808   0.00001  -0.00038   0.00000  -0.00038   0.00770
   D122       0.01060  -0.00001   0.00032   0.00000   0.00032   0.01092
   D123      -3.12466  -0.00001   0.00035   0.00000   0.00035  -3.12431
   D124       0.00195  -0.00001   0.00047   0.00000   0.00047   0.00242
   D125       3.13948  -0.00002   0.00064   0.00000   0.00064   3.14012
   D126      -3.12454   0.00000   0.00002   0.00000   0.00002  -3.12452
   D127       0.01298  -0.00001   0.00019   0.00000   0.00019   0.01318
   D128       0.00572   0.00000  -0.00016   0.00000  -0.00016   0.00555
   D129      -3.14123  -0.00001   0.00037   0.00000   0.00037  -3.14086
   D130      -3.13180   0.00001  -0.00033   0.00000  -0.00033  -3.13213
   D131       0.00444   0.00001   0.00020   0.00000   0.00020   0.00464
   D132      -0.00520   0.00001  -0.00007   0.00000  -0.00007  -0.00527
   D133       3.13373   0.00001   0.00022   0.00000   0.00022   3.13395
   D134      -3.14144   0.00001  -0.00060   0.00000  -0.00060   3.14115
   D135      -0.00251   0.00001  -0.00032   0.00000  -0.00032  -0.00283
   D136      -0.00299   0.00000  -0.00001   0.00000  -0.00001  -0.00300
   D137       3.13230   0.00000  -0.00004   0.00000  -0.00004   3.13226
   D138       3.14126   0.00000  -0.00029   0.00000  -0.00029   3.14097
   D139      -0.00663   0.00000  -0.00033   0.00000  -0.00033  -0.00695
   D140      -1.79900   0.00039   0.00294   0.00000   0.00294  -1.79606
   D141       2.50062  -0.00136   0.00131   0.00000   0.00131   2.50194
   D142       0.29496  -0.00146  -0.00511   0.00000  -0.00511   0.28985
   D143       0.33664  -0.00060   0.00265   0.00000   0.00265   0.33929
   D144      -1.64692  -0.00234   0.00102   0.00000   0.00102  -1.64590
   D145       2.43059  -0.00245  -0.00540   0.00000  -0.00540   2.42519
   D146       2.34832   0.00107   0.00301   0.00000   0.00300   2.35133
   D147       0.36476  -0.00067   0.00137   0.00000   0.00138   0.36614
   D148      -1.84090  -0.00078  -0.00504   0.00000  -0.00505  -1.84595
   D149       1.74220  -0.00422  -0.05407   0.00000  -0.05407   1.68813
   D150      -2.44019   0.00483  -0.04494   0.00000  -0.04494  -2.48513
   D151      -0.38173  -0.00010  -0.04792   0.00000  -0.04793  -0.42966
   D152      -1.17309   0.00091   0.01210   0.00000   0.01210  -1.16099
   D153       2.96239  -0.00161  -0.00174   0.00000  -0.00174   2.96065
   D154       0.95547   0.00007   0.00368   0.00000   0.00369   0.95916
   D155       3.08630  -0.00054   0.00682   0.00000   0.00682   3.09313
   D156       0.93860  -0.00306  -0.00702   0.00000  -0.00702   0.93158
   D157      -1.06831  -0.00138  -0.00159   0.00000  -0.00159  -1.06991
   D158       1.04477   0.00129   0.01569   0.00000   0.01569   1.06046
   D159      -1.10293  -0.00123   0.00185   0.00000   0.00184  -1.10109
   D160      -3.10985   0.00045   0.00727   0.00000   0.00727  -3.10257
   D161       2.95690   0.00282  -0.00984   0.00000  -0.00984   2.94706
   D162      -1.19944   0.00362  -0.00739   0.00000  -0.00738  -1.20682
   D163       0.80519   0.00347  -0.00612   0.00000  -0.00612   0.79908
   D164      -1.19976  -0.00333  -0.00283   0.00000  -0.00284  -1.20260
   D165       0.92709  -0.00253  -0.00038   0.00000  -0.00039   0.92670
   D166       2.93172  -0.00268   0.00089   0.00000   0.00088   2.93260
   D167       0.84049  -0.00080  -0.00864   0.00000  -0.00863   0.83186
   D168       2.96733   0.00001  -0.00618   0.00000  -0.00618   2.96115
   D169      -1.31121  -0.00014  -0.00492   0.00000  -0.00491  -1.31613
   D170       1.13638  -0.00573   0.00544   0.00000   0.00544   1.14182
   D171      -1.25273  -0.00205  -0.00104   0.00000  -0.00104  -1.25377
   D172      -1.00378  -0.00480  -0.00389   0.00000  -0.00389  -1.00767
   D173       2.89029  -0.00111  -0.01037   0.00000  -0.01037   2.87992
   D174      -3.09695  -0.00464   0.00504   0.00000   0.00504  -3.09191
   D175       0.79713  -0.00096  -0.00144   0.00000  -0.00144   0.79569
   D176       1.64031   0.00067   0.00002   0.00000   0.00002   1.64033
   D177      -1.50088   0.00058  -0.00092   0.00000  -0.00092  -1.50181
   D178      -0.48822  -0.00026  -0.00232   0.00000  -0.00232  -0.49054
   D179       2.65377  -0.00034  -0.00327   0.00000  -0.00327   2.65050
   D180      -2.49698  -0.00008  -0.00483   0.00000  -0.00483  -2.50181
   D181       0.64501  -0.00016  -0.00577   0.00000  -0.00577   0.63924
   D182       3.13754  -0.00003  -0.00073   0.00000  -0.00073   3.13681
   D183      -0.01220   0.00002  -0.00191   0.00000  -0.00191  -0.01412
   D184      -0.00444   0.00005   0.00021   0.00000   0.00021  -0.00423
   D185       3.12900   0.00010  -0.00097   0.00000  -0.00097   3.12802
   D186      -3.13723   0.00003   0.00091   0.00000   0.00091  -3.13632
   D187       0.00342   0.00005   0.00133   0.00000   0.00133   0.00475
   D188       0.00476  -0.00006  -0.00004   0.00000  -0.00004   0.00472
   D189      -3.13777  -0.00003   0.00038   0.00000   0.00038  -3.13740
   D190       0.00090  -0.00001  -0.00042   0.00000  -0.00042   0.00048
   D191       3.14132   0.00000  -0.00074   0.00000  -0.00074   3.14058
   D192      -3.13246  -0.00007   0.00077   0.00000   0.00077  -3.13170
   D193       0.00796  -0.00005   0.00045   0.00000   0.00045   0.00841
   D194       0.00233  -0.00002   0.00046   0.00000   0.00046   0.00279
   D195      -3.14041   0.00000   0.00005   0.00000   0.00005  -3.14037
   D196      -3.13810  -0.00004   0.00079   0.00000   0.00079  -3.13731
   D197       0.00235  -0.00001   0.00037   0.00000   0.00037   0.00272
   D198      -0.00200   0.00002  -0.00029   0.00000  -0.00029  -0.00230
   D199       3.13995   0.00001  -0.00071   0.00000  -0.00071   3.13925
   D200       3.14074  -0.00001   0.00012   0.00000   0.00012   3.14086
   D201      -0.00049  -0.00001  -0.00029   0.00000  -0.00029  -0.00078
   D202      -0.00155   0.00002   0.00008   0.00000   0.00008  -0.00146
   D203       3.14099  -0.00001  -0.00033   0.00000  -0.00033   3.14066
   D204       3.13968   0.00003   0.00049   0.00000   0.00049   3.14018
   D205      -0.00097   0.00000   0.00008   0.00000   0.00008  -0.00089
   D206       0.59942  -0.00086   0.02442   0.00000   0.02442   0.62384
   D207      -2.60879   0.00468   0.02489   0.00000   0.02489  -2.58390
   D208       2.97034  -0.00395   0.03222   0.00000   0.03222   3.00255
   D209      -0.23788   0.00159   0.03269   0.00000   0.03269  -0.20519
   D210      -3.14036  -0.01308  -0.06149   0.00000  -0.06149   3.08133
   D211      -0.05913  -0.00797  -0.06073   0.00000  -0.06073  -0.11986
   D212      -1.15366  -0.00520  -0.04318   0.00000  -0.04314  -1.19680
   D213       3.02113  -0.00189  -0.04890   0.00000  -0.04892   2.97221
   D214       0.99453  -0.00276  -0.05664   0.00000  -0.05666   0.93787
   D215      -1.79420   0.00102   0.01623   0.00000   0.01620  -1.77800
   D216       1.26214   0.00005  -0.01826   0.00000  -0.01826   1.24388
   D217       0.17519  -0.00178   0.02507   0.00000   0.02507   0.20026
   D218      -3.05165  -0.00274  -0.00942   0.00000  -0.00940  -3.06104
   D219       2.38929   0.00051   0.03415   0.00000   0.03415   2.42344
   D220      -0.83755  -0.00045  -0.00034   0.00000  -0.00032  -0.83786
   D221       3.09058  -0.00182  -0.03401   0.00000  -0.03410   3.05649
   D222      -0.07433  -0.00041  -0.02742   0.00000  -0.02747  -0.10180
   D223       0.02846  -0.00115  -0.00278   0.00000  -0.00279   0.02567
   D224      -3.13645   0.00027   0.00380   0.00000   0.00383  -3.13262
   D225      -3.10752   0.00201   0.04237   0.00000   0.04226  -3.06526
   D226      -0.03438   0.00119   0.01379   0.00000   0.01379  -0.02058
   D227      -0.00252   0.00040  -0.01476   0.00000  -0.01477  -0.01730
   D228      -3.12318  -0.00087  -0.02060   0.00000  -0.02063   3.13937
   D229      -0.02494   0.00050   0.02533   0.00000   0.02536   0.00042
   D230      -3.07403  -0.00141   0.00738   0.00000   0.00739  -3.06664
   D231       0.03472  -0.00093  -0.02298   0.00000  -0.02298   0.01174
   D232       3.08738   0.00088  -0.00581   0.00000  -0.00580   3.08158
   D233      -1.10380   0.00053  -0.00671   0.00000  -0.00670  -1.11051
   D234       0.97745   0.00064  -0.01247   0.00000  -0.01247   0.96497
   D235       3.08160   0.00052  -0.00972   0.00000  -0.00972   3.07188
   D236       3.01048  -0.00017  -0.01305   0.00000  -0.01305   2.99744
   D237      -1.19145  -0.00006  -0.01881   0.00000  -0.01882  -1.21027
   D238       0.91271  -0.00018  -0.01605   0.00000  -0.01606   0.89665
   D239       0.94295  -0.00003  -0.01128   0.00000  -0.01127   0.93168
   D240       3.02420   0.00008  -0.01704   0.00000  -0.01704   3.00716
   D241      -1.15483  -0.00004  -0.01428   0.00000  -0.01428  -1.16911
   D242       2.97585   0.00096   0.00000   0.00000   0.00000   2.97585
   D243      -1.24436   0.00114   0.00130   0.00000   0.00130  -1.24306
   D244       0.89364   0.00114   0.00304   0.00000   0.00305   0.89669
   D245      -1.10608  -0.00132  -0.00145   0.00000  -0.00145  -1.10753
   D246       0.95689  -0.00114  -0.00014   0.00000  -0.00015   0.95674
   D247       3.09490  -0.00114   0.00160   0.00000   0.00159   3.09649
   D248       0.95621  -0.00006   0.00385   0.00000   0.00386   0.96007
   D249       3.01919   0.00013   0.00516   0.00000   0.00516   3.02435
   D250      -1.12599   0.00013   0.00690   0.00000   0.00690  -1.11909
   D251       0.00314  -0.00003  -0.00391   0.00000  -0.00391  -0.00077
   D252       3.13382   0.00011   0.00566   0.00000   0.00565   3.13946
         Item               Value     Threshold  Converged?
 Maximum Force            0.013077     0.000450     NO 
 RMS     Force            0.001947     0.000300     NO 
 Maximum Displacement     0.849621     0.001800     NO 
 RMS     Displacement     0.103555     0.001200     NO 
 Predicted change in Energy=-2.931146D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.560335   -2.109932    1.290661
      2          6           0       -9.259323   -1.220285    0.079620
      3          6           0      -10.198787   -0.012799    0.014038
      4          6           0       -7.829913   -0.777171    0.105232
      5          7           0       -6.904798   -1.070181   -0.776028
      6          6           0       -5.646106   -0.494006   -0.452669
      7          6           0       -4.500282   -0.774487   -1.385489
      8          7           0       -3.910296    0.449021   -1.989953
      9          6           0       -4.795421    1.127950   -2.976374
     10          6           0       -3.087638    1.322340   -1.225893
     11          8           0       -2.918756    2.495641   -1.544538
     12          7           0       -2.449061    0.776941   -0.075300
     13          6           0       -1.328428    1.560053    0.504160
     14          6           0       -0.014656    1.243328   -0.241752
     15          8           0        0.216663    0.143988   -0.742003
     16          7           0        0.907002    2.273425   -0.341844
     17          6           0        2.230535    2.056466   -0.989217
     18          6           0        2.695128    3.363492   -1.672864
     19          6           0        2.853641    4.533498   -0.742321
     20          6           0        1.805840    5.455503   -0.591294
     21          6           0        1.948257    6.543726    0.273514
     22          6           0        3.134893    6.722627    0.990861
     23          6           0        4.183660    5.810987    0.834966
     24          6           0        4.047220    4.721079   -0.028608
     25          6           0        3.266185    1.534072    0.026074
     26          6           0        2.999378    0.081774    0.426790
     27          8           0        2.391064    0.098395    1.736711
     28          6           0        4.288063   -0.764953    0.644404
     29          6           0        5.047295   -0.954138   -0.677994
     30          6           0        6.416098   -1.529728   -0.448949
     31          6           0        6.605969   -2.917517   -0.527714
     32          6           0        7.875985   -3.460297   -0.321860
     33          6           0        8.961064   -2.624577   -0.036454
     34          6           0        8.771424   -1.241792    0.045991
     35          6           0        7.502624   -0.691769   -0.158388
     36          7           0        3.916800   -2.077840    1.272771
     37          6           0        3.130726   -2.983668    0.537513
     38          8           0        3.131109   -3.221169   -0.655362
     39          8           0        2.325892   -3.707388    1.421874
     40          6           0        1.397802   -4.633770    0.769770
     41          6           0        0.386553   -3.828338    0.059227
     42          6           0       -0.903578   -3.524172    0.400033
     43          7           0       -1.558515   -2.631171   -0.472303
     44          6           0       -0.769441   -2.241409   -1.456802
     45         16           0        0.842418   -2.951879   -1.376661
     46          6           0       -1.206547    1.235907    2.026905
     47          6           0       -0.897404   -0.242251    2.301434
     48          6           0       -0.166020    2.143069    2.684599
     49          6           0       -5.624958    0.245692    0.694628
     50         16           0       -7.201204    0.249279    1.424514
     51          1           0      -10.563730   -2.544675    1.215136
     52          1           0       -8.847763   -2.940979    1.365512
     53          1           0       -9.518493   -1.555593    2.236003
     54          1           0       -9.410129   -1.834649   -0.854264
     55          1           0      -10.146582    0.608667    0.916177
     56          1           0       -9.965360    0.631511   -0.842496
     57          1           0      -11.241299   -0.335633   -0.092751
     58          1           0       -3.710411   -1.366037   -0.848821
     59          1           0       -4.839066   -1.434578   -2.224643
     60          1           0       -4.912514    0.471337   -3.853347
     61          1           0       -4.336450    2.078007   -3.310638
     62          1           0       -5.792237    1.357599   -2.566374
     63          1           0       -2.311880   -0.247286   -0.029213
     64          1           0       -1.573368    2.656523    0.382995
     65          1           0        0.751885    3.176032    0.104030
     66          1           0        2.080737    1.275995   -1.789074
     67          1           0        1.971637    3.616533   -2.479986
     68          1           0        3.649058    3.168975   -2.207176
     69          1           0        0.883142    5.334277   -1.157578
     70          1           0        1.131894    7.256712    0.385407
     71          1           0        3.243981    7.570233    1.664463
     72          1           0        5.112386    5.951251    1.386930
     73          1           0        4.872437    4.022797   -0.149088
     74          1           0        3.260750    2.158950    0.945824
     75          1           0        4.283062    1.645505   -0.400123
     76          1           0        2.306610   -0.426423   -0.288729
     77          1           0        1.398686    0.039542    1.656051
     78          1           0        4.949638   -0.254568    1.397518
     79          1           0        4.464829   -1.622172   -1.360237
     80          1           0        5.115011    0.012684   -1.216920
     81          1           0        5.755037   -3.566287   -0.741456
     82          1           0        8.020191   -4.537825   -0.382676
     83          1           0        9.949326   -3.049673    0.122320
     84          1           0        9.614152   -0.590567    0.270102
     85          1           0        7.363377    0.383684   -0.091725
     86          1           0        3.633732   -1.969589    2.265038
     87          1           0        1.002735   -5.218556    1.621875
     88          1           0        1.983714   -5.288828    0.091517
     89          1           0       -1.462334   -3.905819    1.247733
     90          1           0       -1.032288   -1.504141   -2.212846
     91          1           0       -2.207305    1.473816    2.474339
     92          1           0       -1.710547   -0.901615    1.962039
     93          1           0        0.008129   -0.595113    1.778423
     94          1           0       -0.748074   -0.426352    3.370771
     95          1           0       -0.197869    2.036444    3.777015
     96          1           0        0.862171    1.892821    2.386783
     97          1           0       -0.338803    3.201440    2.465635
     98          1           0       -4.793940    0.773096    1.135343
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0789982      0.0289404      0.0231436
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3646.1383728326 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.256327414988     A.U. after   18 cycles
             Convg  =    0.9210D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000067234   -0.000319728   -0.000193592
      2        6          -0.000198978    0.000217724    0.000405304
      3        6           0.000063408   -0.000226639    0.000127442
      4        6           0.000200681    0.000034562    0.000471212
      5        7          -0.000513861   -0.000693907   -0.000667851
      6        6           0.000357322    0.000719242    0.000228218
      7        6           0.000035023   -0.000838364   -0.000519471
      8        7          -0.001243812   -0.000767444    0.001259448
      9        6           0.000272978    0.000506087    0.000603807
     10        6           0.002160170   -0.001211248   -0.000371368
     11        8          -0.001663447    0.001209159    0.001867669
     12        7          -0.002441582   -0.002670298    0.001085123
     13        6          -0.000067137    0.001515503    0.001168790
     14        6           0.000607501    0.004252310   -0.000755888
     15        8           0.001442342   -0.001452673    0.000765389
     16        7           0.000398603   -0.001179445    0.000944003
     17        6           0.000280131   -0.000722517   -0.001637736
     18        6           0.000256528    0.000836643    0.000097368
     19        6          -0.000059180    0.000207396    0.000247071
     20        6           0.000193134   -0.000145454    0.000105815
     21        6           0.000229304   -0.000029526   -0.000031957
     22        6           0.000042333   -0.000194856    0.000074458
     23        6          -0.000201837   -0.000129622    0.000074611
     24        6          -0.000119402   -0.000007305    0.000013398
     25        6          -0.000753631   -0.001191933   -0.001315466
     26        6           0.000588613    0.000604712    0.002269077
     27        8           0.000595972    0.000157558    0.001254452
     28        6          -0.000021296    0.001829053    0.002795845
     29        6           0.000233876    0.000907638    0.000090549
     30        6          -0.000199466   -0.000255461   -0.000165751
     31        6          -0.000656165    0.000083013    0.000291799
     32        6          -0.000117862    0.000273319    0.000163815
     33        6          -0.000102348   -0.000137653    0.000012300
     34        6          -0.000056433   -0.000015650   -0.000003012
     35        6          -0.000229549   -0.000084821   -0.000092600
     36        7           0.003672416    0.004568744   -0.001281834
     37        6           0.000002618   -0.009602681    0.005386391
     38        8          -0.001228412    0.001147687   -0.003374771
     39        8          -0.003203534   -0.001399026   -0.001603931
     40        6          -0.001033160    0.001051649   -0.001864532
     41        6           0.002297033   -0.000654186    0.002702060
     42        6           0.000045726    0.002779649   -0.000638443
     43        7           0.001139791   -0.001204557   -0.001123911
     44        6           0.000011288   -0.001631773    0.000784122
     45       16           0.000668099   -0.000183035   -0.002398983
     46        6          -0.000684752    0.003153704    0.000073239
     47        6           0.001070177    0.000154678   -0.003554233
     48        6          -0.000285951    0.000145348    0.000363064
     49        6           0.000131093    0.000035347    0.000373628
     50       16          -0.000240709    0.000210888   -0.000578584
     51        1           0.000081580    0.000066815    0.000027340
     52        1          -0.000050410    0.000090617   -0.000044780
     53        1          -0.000101410    0.000071025   -0.000136887
     54        1          -0.000083012   -0.000030450   -0.000006620
     55        1          -0.000206586    0.000061628    0.000004294
     56        1          -0.000055284   -0.000023278   -0.000113534
     57        1          -0.000015335    0.000067404   -0.000078093
     58        1           0.000657650   -0.000281508   -0.001318946
     59        1           0.000029002    0.000262869    0.000094622
     60        1           0.000062453    0.000135658   -0.000197880
     61        1          -0.000179206   -0.000049375   -0.000193430
     62        1           0.000034985    0.000100304    0.000094521
     63        1          -0.000087611   -0.001058764   -0.001056791
     64        1           0.000402293    0.000771269    0.000355799
     65        1          -0.000438281    0.000128043    0.000346780
     66        1          -0.000934699    0.000913306   -0.000673227
     67        1           0.000059923    0.000086921   -0.000130422
     68        1           0.000066639    0.000048599    0.000152383
     69        1           0.000062296    0.000106160   -0.000044284
     70        1          -0.000044252    0.000009908   -0.000029141
     71        1           0.000018915    0.000008778   -0.000038324
     72        1           0.000046697   -0.000011219   -0.000010196
     73        1          -0.000025971    0.000016739    0.000014126
     74        1          -0.000125687   -0.000484995   -0.000356567
     75        1           0.000318907   -0.000174531    0.000347331
     76        1           0.000166517    0.000552598   -0.000188190
     77        1          -0.000909862    0.000368768    0.000064153
     78        1           0.000158264    0.000246136    0.000078143
     79        1           0.000296337    0.000066954   -0.000360205
     80        1          -0.000175391   -0.000306686    0.000135511
     81        1          -0.000162654    0.000232210    0.000047352
     82        1          -0.000056001   -0.000056227   -0.000019571
     83        1          -0.000017206    0.000025464    0.000009393
     84        1           0.000009930   -0.000009454   -0.000002742
     85        1           0.000060078    0.000007709   -0.000006632
     86        1          -0.001002872    0.000844453   -0.001963411
     87        1           0.000242052   -0.001703117   -0.000215714
     88        1           0.000254771    0.000785793    0.000987844
     89        1           0.000207486   -0.000126563   -0.000122964
     90        1          -0.000499815    0.000955663    0.000950910
     91        1           0.000358208    0.000729340    0.000571055
     92        1           0.000118947   -0.001264553    0.000166379
     93        1          -0.000136437   -0.001200235   -0.000852055
     94        1           0.000581100    0.000043664    0.000233403
     95        1           0.000100958   -0.000328215    0.000103477
     96        1          -0.000458977   -0.000121676   -0.000335128
     97        1          -0.000165350   -0.000131140   -0.000100093
     98        1          -0.000204569   -0.000094616   -0.000114543
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.009602681 RMS     0.001130385

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.009739449 RMS     0.001263731
 Search for a local minimum.
 Step number  53 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   50   49   52   51   53
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00107   0.00150   0.00207   0.00247   0.00316
     Eigenvalues ---    0.00371   0.00455   0.00526   0.00596   0.00619
     Eigenvalues ---    0.00734   0.00749   0.00876   0.00935   0.00952
     Eigenvalues ---    0.00994   0.01063   0.01175   0.01185   0.01250
     Eigenvalues ---    0.01283   0.01339   0.01395   0.01429   0.01445
     Eigenvalues ---    0.01503   0.01548   0.01633   0.01727   0.01752
     Eigenvalues ---    0.01817   0.01927   0.02032   0.02081   0.02147
     Eigenvalues ---    0.02194   0.02203   0.02219   0.02220   0.02257
     Eigenvalues ---    0.02268   0.02290   0.02325   0.02371   0.02404
     Eigenvalues ---    0.02406   0.02413   0.02443   0.02455   0.02482
     Eigenvalues ---    0.02485   0.02527   0.02528   0.02539   0.02670
     Eigenvalues ---    0.02703   0.02729   0.03008   0.03321   0.03586
     Eigenvalues ---    0.03955   0.04001   0.04074   0.04153   0.04240
     Eigenvalues ---    0.04530   0.04632   0.04865   0.04907   0.04961
     Eigenvalues ---    0.05111   0.05166   0.05184   0.05287   0.05350
     Eigenvalues ---    0.05392   0.05440   0.05464   0.05503   0.05581
     Eigenvalues ---    0.05625   0.05686   0.05723   0.05795   0.05827
     Eigenvalues ---    0.05879   0.05920   0.05981   0.06004   0.06207
     Eigenvalues ---    0.06420   0.06651   0.06802   0.07004   0.07080
     Eigenvalues ---    0.07517   0.07763   0.08297   0.08420   0.08656
     Eigenvalues ---    0.09286   0.09638   0.09811   0.09903   0.10340
     Eigenvalues ---    0.11905   0.12887   0.13136   0.13156   0.13432
     Eigenvalues ---    0.13757   0.13859   0.14059   0.15248   0.15538
     Eigenvalues ---    0.15674   0.15894   0.15945   0.15955   0.15977
     Eigenvalues ---    0.15985   0.15988   0.15997   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16002   0.16003   0.16004   0.16012
     Eigenvalues ---    0.16021   0.16027   0.16032   0.16058   0.16081
     Eigenvalues ---    0.16133   0.16195   0.16309   0.16792   0.16894
     Eigenvalues ---    0.17316   0.17600   0.18008   0.18540   0.18897
     Eigenvalues ---    0.19238   0.19451   0.20058   0.20676   0.21589
     Eigenvalues ---    0.21797   0.21978   0.22000   0.22001   0.22018
     Eigenvalues ---    0.22025   0.22257   0.22489   0.22605   0.23208
     Eigenvalues ---    0.23422   0.23496   0.23546   0.23702   0.24012
     Eigenvalues ---    0.24204   0.24495   0.24629   0.24859   0.24986
     Eigenvalues ---    0.25055   0.25079   0.25191   0.25537   0.26121
     Eigenvalues ---    0.26610   0.27618   0.28963   0.29427   0.29777
     Eigenvalues ---    0.29876   0.29977   0.30123   0.30259   0.30336
     Eigenvalues ---    0.30517   0.30706   0.30928   0.31288   0.31345
     Eigenvalues ---    0.31412   0.31440   0.31499   0.31647   0.31740
     Eigenvalues ---    0.31792   0.31963   0.32015   0.32230   0.32377
     Eigenvalues ---    0.32536   0.32604   0.32695   0.32769   0.32824
     Eigenvalues ---    0.32839   0.32930   0.32965   0.33047   0.33061
     Eigenvalues ---    0.33100   0.33209   0.33252   0.33355   0.33567
     Eigenvalues ---    0.33604   0.33671   0.33711   0.33733   0.33887
     Eigenvalues ---    0.33963   0.33992   0.34118   0.34140   0.34236
     Eigenvalues ---    0.34286   0.34384   0.34436   0.34502   0.34561
     Eigenvalues ---    0.34711   0.35069   0.35381   0.36247   0.36308
     Eigenvalues ---    0.36314   0.36377   0.36633   0.36817   0.36936
     Eigenvalues ---    0.37015   0.38027   0.38728   0.39295   0.39543
     Eigenvalues ---    0.40163   0.41053   0.42049   0.42267   0.42492
     Eigenvalues ---    0.42913   0.43290   0.43867   0.44194   0.44718
     Eigenvalues ---    0.45194   0.45467   0.46188   0.47610   0.47926
     Eigenvalues ---    0.48353   0.48472   0.48660   0.48956   0.49248
     Eigenvalues ---    0.49560   0.50108   0.50493   0.50951   0.51268
     Eigenvalues ---    0.51416   0.52303   0.56340   0.58553   0.59443
     Eigenvalues ---    0.62885   0.65182   0.76193   0.78482   0.83183
     Eigenvalues ---    0.94374   1.29399   2.560981000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-2.77074536D-03 EMin= 1.06890386D-03
 Quartic linear search produced a step of -0.07048.
 Maximum step size (   0.263) exceeded in Quadratic search.
    -- Step size scaled by   0.627
 Iteration  1 RMS(Cart)=  0.06404392 RMS(Int)=  0.00084425
 Iteration  2 RMS(Cart)=  0.00144672 RMS(Int)=  0.00001519
 Iteration  3 RMS(Cart)=  0.00000178 RMS(Int)=  0.00001518
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001518
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89609  -0.00035  -0.00004  -0.00020  -0.00024   2.89586
    R2        2.07139   0.00011   0.00000   0.00014   0.00015   2.07154
    R3        2.07354   0.00005   0.00004  -0.00042  -0.00037   2.07316
    R4        2.07243  -0.00015  -0.00003   0.00032   0.00029   2.07272
    R5        2.89376  -0.00011   0.00004  -0.00086  -0.00081   2.89294
    R6        2.82842  -0.00041   0.00002  -0.00114  -0.00112   2.82730
    R7        2.13156  -0.00001  -0.00004   0.00047   0.00043   2.13199
    R8        2.07250  -0.00011  -0.00002   0.00031   0.00029   2.07279
    R9        2.07291   0.00012   0.00001   0.00017   0.00018   2.07309
   R10        2.07221   0.00002  -0.00002   0.00029   0.00027   2.07248
   R11        2.47714  -0.00012   0.00002  -0.00087  -0.00085   2.47628
   R12        3.37483  -0.00017   0.00001   0.00039   0.00039   3.37522
   R13        2.68637  -0.00097  -0.00008   0.00034   0.00026   2.68663
   R14        2.84197  -0.00084   0.00003  -0.00213  -0.00209   2.83988
   R15        2.57994  -0.00018   0.00002  -0.00062  -0.00060   2.57933
   R16        2.80956  -0.00204   0.00002  -0.00216  -0.00215   2.80741
   R17        2.12276  -0.00132  -0.00007  -0.00127  -0.00134   2.12142
   R18        2.11673   0.00022   0.00000  -0.00004  -0.00004   2.11669
   R19        2.81399   0.00003   0.00006  -0.00060  -0.00054   2.81345
   R20        2.68796  -0.00095   0.00000  -0.00090  -0.00090   2.68706
   R21        2.08207   0.00018  -0.00002   0.00056   0.00054   2.08262
   R22        2.09154   0.00020   0.00001   0.00016   0.00017   2.09171
   R23        2.08254   0.00006   0.00000   0.00020   0.00020   2.08275
   R24        2.31959  -0.00244   0.00001  -0.00178  -0.00177   2.31782
   R25        2.69185  -0.00135   0.00008   0.00080   0.00088   2.69274
   R26        2.80601  -0.00541  -0.00011  -0.00486  -0.00498   2.80103
   R27        1.95473  -0.00128   0.00017  -0.00151  -0.00134   1.95339
   R28        2.91698  -0.00231   0.00005  -0.00215  -0.00210   2.91487
   R29        2.95105  -0.00353   0.00006  -0.00494  -0.00488   2.94617
   R30        2.13541  -0.00048   0.00000  -0.00086  -0.00086   2.13455
   R31        2.32391  -0.00189  -0.00011   0.00077   0.00066   2.32457
   R32        2.61887   0.00092   0.00003   0.00051   0.00053   2.61940
   R33        2.81430  -0.00009  -0.00010   0.00357   0.00346   2.81776
   R34        1.92489  -0.00037   0.00003  -0.00037  -0.00034   1.92455
   R35        2.92239  -0.00087  -0.00005  -0.00122  -0.00127   2.92111
   R36        2.91305   0.00118  -0.00004   0.00268   0.00264   2.91569
   R37        2.13074   0.00122  -0.00010   0.00311   0.00302   2.13376
   R38        2.84085   0.00023   0.00000   0.00021   0.00021   2.84106
   R39        2.10339   0.00016  -0.00004   0.00086   0.00082   2.10421
   R40        2.09862  -0.00011   0.00002  -0.00059  -0.00057   2.09806
   R41        2.65289   0.00032  -0.00002   0.00043   0.00041   2.65330
   R42        2.65182   0.00024  -0.00003   0.00063   0.00059   2.65241
   R43        2.64049   0.00013  -0.00002   0.00034   0.00033   2.64081
   R44        2.05863   0.00013  -0.00001   0.00023   0.00023   2.05885
   R45        2.64204   0.00018   0.00000  -0.00016  -0.00015   2.64188
   R46        2.05912  -0.00004  -0.00001  -0.00004  -0.00004   2.05908
   R47        2.64244   0.00021  -0.00001   0.00037   0.00036   2.64280
   R48        2.05631  -0.00001   0.00000   0.00001   0.00001   2.05632
   R49        2.64040   0.00023   0.00000   0.00014   0.00014   2.64054
   R50        2.05874  -0.00003   0.00000  -0.00010  -0.00010   2.05864
   R51        2.05546   0.00003   0.00000  -0.00010  -0.00010   2.05536
   R52        2.89130   0.00188  -0.00007   0.00497   0.00491   2.89620
   R53        2.10129   0.00024  -0.00008   0.00183   0.00176   2.10304
   R54        2.09419  -0.00039  -0.00007  -0.00013  -0.00019   2.09400
   R55        2.72947   0.00069  -0.00013   0.00169   0.00157   2.73104
   R56        2.94277  -0.00085   0.00026  -0.00502  -0.00475   2.93802
   R57        2.11291   0.00061   0.00015  -0.00124  -0.00109   2.11182
   R58        1.88479  -0.00064   0.00020  -0.00342  -0.00322   1.88157
   R59        2.90364   0.00093  -0.00010   0.00409   0.00399   2.90764
   R60        2.83859  -0.00556   0.00032  -0.01059  -0.01027   2.82832
   R61        2.12571  -0.00025  -0.00005   0.00022   0.00018   2.12589
   R62        2.83924   0.00151  -0.00001   0.00258   0.00257   2.84181
   R63        2.11362   0.00018  -0.00004   0.00120   0.00116   2.11478
   R64        2.09562  -0.00001  -0.00002   0.00002   0.00001   2.09562
   R65        2.65115   0.00107  -0.00003   0.00158   0.00155   2.65271
   R66        2.65043   0.00027   0.00000  -0.00004  -0.00004   2.65039
   R67        2.63881   0.00025  -0.00002   0.00038   0.00036   2.63917
   R68        2.06203   0.00013   0.00004  -0.00073  -0.00068   2.06135
   R69        2.64378   0.00009   0.00000   0.00003   0.00004   2.64382
   R70        2.05760  -0.00002  -0.00001   0.00009   0.00007   2.05767
   R71        2.64214   0.00001  -0.00001  -0.00031  -0.00032   2.64182
   R72        2.05501   0.00002   0.00000   0.00013   0.00012   2.05513
   R73        2.64166   0.00011  -0.00002   0.00038   0.00036   2.64203
   R74        2.05669   0.00000   0.00000  -0.00006  -0.00006   2.05662
   R75        2.05314   0.00003   0.00000  -0.00008  -0.00008   2.05307
   R76        2.65843  -0.00974   0.00065  -0.01915  -0.01850   2.63994
   R77        1.96062  -0.00234   0.00027  -0.00675  -0.00648   1.95414
   R78        2.29845   0.00345  -0.00022   0.00668   0.00646   2.30492
   R79        2.64131  -0.00247  -0.00001  -0.00316  -0.00317   2.63814
   R80        2.76751   0.00108  -0.00033   0.00770   0.00738   2.77489
   R81        2.78772   0.00281  -0.00010   0.00479   0.00469   2.79241
   R82        2.09081  -0.00037   0.00007  -0.00202  -0.00195   2.08885
   R83        2.09787   0.00003  -0.00001   0.00038   0.00036   2.09823
   R84        2.58631   0.00113   0.00007  -0.00067  -0.00061   2.58570
   R85        3.29364   0.00176  -0.00030   0.00849   0.00819   3.30183
   R86        2.66402   0.00048  -0.00011   0.00189   0.00177   2.66579
   R87        2.04968  -0.00002   0.00002  -0.00018  -0.00017   2.04952
   R88        2.49543  -0.00084   0.00005  -0.00128  -0.00123   2.49421
   R89        3.33218  -0.00042  -0.00021   0.00129   0.00108   3.33326
   R90        2.05647  -0.00113  -0.00014   0.00079   0.00066   2.05712
   R91        2.90052  -0.00473   0.00019  -0.00974  -0.00955   2.89097
   R92        2.88961   0.00070   0.00002   0.00068   0.00070   2.89031
   R93        2.11979   0.00047  -0.00006   0.00178   0.00173   2.12152
   R94        2.07969  -0.00106   0.00009  -0.00241  -0.00233   2.07736
   R95        2.08560   0.00014  -0.00009   0.00164   0.00156   2.08715
   R96        2.06981   0.00017   0.00004  -0.00052  -0.00048   2.06933
   R97        2.07505   0.00025  -0.00005   0.00139   0.00134   2.07639
   R98        2.07740   0.00051  -0.00005   0.00150   0.00145   2.07885
   R99        2.06832   0.00007   0.00000   0.00023   0.00023   2.06855
   R100       3.28252  -0.00039  -0.00004   0.00034   0.00031   3.28283
   R101       2.03791   0.00018   0.00000   0.00088   0.00088   2.03879
    A1        1.93434   0.00004   0.00003  -0.00033  -0.00029   1.93404
    A2        1.94552  -0.00008  -0.00002  -0.00033  -0.00035   1.94517
    A3        1.96086  -0.00011  -0.00002   0.00003   0.00000   1.96086
    A4        1.87420   0.00001  -0.00001   0.00038   0.00037   1.87457
    A5        1.87004   0.00006   0.00004  -0.00019  -0.00016   1.86988
    A6        1.87471   0.00009  -0.00001   0.00049   0.00048   1.87518
    A7        1.95098   0.00014   0.00002   0.00001   0.00002   1.95100
    A8        1.92401   0.00014  -0.00001   0.00021   0.00020   1.92421
    A9        1.88789  -0.00005  -0.00002   0.00090   0.00088   1.88877
   A10        1.93178  -0.00038   0.00000  -0.00184  -0.00184   1.92994
   A11        1.88810   0.00009   0.00000   0.00070   0.00070   1.88880
   A12        1.87874   0.00007   0.00001   0.00011   0.00012   1.87886
   A13        1.96318  -0.00023  -0.00004  -0.00025  -0.00029   1.96289
   A14        1.94556  -0.00003   0.00002  -0.00072  -0.00070   1.94486
   A15        1.93401   0.00005  -0.00002   0.00047   0.00045   1.93447
   A16        1.87479   0.00008   0.00002  -0.00007  -0.00005   1.87474
   A17        1.86731   0.00014   0.00005   0.00017   0.00022   1.86753
   A18        1.87464   0.00000  -0.00003   0.00044   0.00042   1.87506
   A19        2.20970   0.00004  -0.00001   0.00092   0.00091   2.21061
   A20        2.11649   0.00003   0.00003  -0.00084  -0.00080   2.11568
   A21        1.95698  -0.00007  -0.00003  -0.00006  -0.00009   1.95690
   A22        1.96206  -0.00012   0.00000   0.00000  -0.00001   1.96206
   A23        2.04646  -0.00036   0.00000  -0.00044  -0.00044   2.04601
   A24        2.00917   0.00046   0.00004   0.00038   0.00042   2.00959
   A25        2.22748  -0.00010  -0.00005   0.00008   0.00004   2.22751
   A26        1.98345   0.00049   0.00006   0.00066   0.00072   1.98417
   A27        1.91518   0.00031  -0.00014   0.00205   0.00191   1.91709
   A28        1.92213  -0.00024  -0.00005   0.00090   0.00085   1.92297
   A29        1.92685  -0.00081  -0.00011  -0.00143  -0.00155   1.92530
   A30        1.87591   0.00010   0.00001   0.00009   0.00010   1.87600
   A31        1.83408   0.00011   0.00026  -0.00257  -0.00231   1.83178
   A32        1.99177  -0.00079  -0.00009  -0.00428  -0.00438   1.98739
   A33        2.11341   0.00007  -0.00010   0.00047   0.00036   2.11377
   A34        2.00389   0.00078  -0.00004   0.00005   0.00000   2.00389
   A35        1.89517   0.00024   0.00001   0.00028   0.00029   1.89546
   A36        1.92297  -0.00008  -0.00001  -0.00059  -0.00060   1.92237
   A37        1.96732  -0.00008   0.00004   0.00005   0.00009   1.96741
   A38        1.89151  -0.00014  -0.00005   0.00024   0.00018   1.89169
   A39        1.90095  -0.00009  -0.00003  -0.00031  -0.00034   1.90061
   A40        1.88449   0.00015   0.00003   0.00034   0.00038   1.88487
   A41        2.12587   0.00083  -0.00006   0.00169   0.00156   2.12743
   A42        2.04663   0.00020   0.00017  -0.00003   0.00008   2.04671
   A43        2.11062  -0.00104  -0.00011  -0.00189  -0.00206   2.10856
   A44        2.03937  -0.00170  -0.00039  -0.00355  -0.00400   2.03536
   A45        2.06525   0.00104   0.00009  -0.00398  -0.00396   2.06129
   A46        1.98748  -0.00004   0.00013  -0.00477  -0.00472   1.98276
   A47        1.92361  -0.00188   0.00004   0.00012   0.00016   1.92377
   A48        1.90705   0.00060  -0.00015   0.00006  -0.00010   1.90696
   A49        1.88211   0.00008  -0.00021  -0.00001  -0.00023   1.88188
   A50        1.94140  -0.00025   0.00000   0.00257   0.00257   1.94398
   A51        1.90897   0.00144   0.00015  -0.00001   0.00014   1.90911
   A52        1.89957   0.00003   0.00017  -0.00284  -0.00267   1.89690
   A53        2.14134  -0.00276  -0.00005   0.00146   0.00140   2.14274
   A54        2.03579   0.00350   0.00022  -0.00751  -0.00729   2.02850
   A55        2.10597  -0.00073  -0.00016   0.00613   0.00596   2.11193
   A56        2.11081  -0.00486  -0.00008   0.01033   0.01025   2.12106
   A57        2.12440   0.00257   0.00012  -0.00583  -0.00572   2.11869
   A58        2.04284   0.00225  -0.00001  -0.00457  -0.00459   2.03825
   A59        1.91350   0.00140   0.00000  -0.00511  -0.00511   1.90838
   A60        1.93921  -0.00137   0.00005  -0.00295  -0.00291   1.93631
   A61        1.86621  -0.00051  -0.00006   0.00746   0.00740   1.87360
   A62        1.95599   0.00080  -0.00006   0.00052   0.00045   1.95644
   A63        1.88739  -0.00035   0.00004  -0.00188  -0.00183   1.88556
   A64        1.89854  -0.00003   0.00002   0.00241   0.00244   1.90098
   A65        1.99964  -0.00072   0.00005  -0.00273  -0.00268   1.99696
   A66        1.89381   0.00022   0.00001   0.00033   0.00035   1.89416
   A67        1.89939   0.00012   0.00001  -0.00007  -0.00006   1.89933
   A68        1.91820   0.00023  -0.00005   0.00101   0.00097   1.91917
   A69        1.92150   0.00029  -0.00005   0.00148   0.00143   1.92294
   A70        1.82272  -0.00008   0.00002   0.00023   0.00024   1.82297
   A71        2.09329   0.00004  -0.00003   0.00032   0.00029   2.09359
   A72        2.10429   0.00005   0.00001   0.00005   0.00006   2.10435
   A73        2.08556  -0.00009   0.00001  -0.00036  -0.00035   2.08522
   A74        2.09672   0.00006   0.00000   0.00017   0.00017   2.09689
   A75        2.09806  -0.00006   0.00000  -0.00014  -0.00014   2.09792
   A76        2.08831   0.00000   0.00000  -0.00004  -0.00004   2.08827
   A77        2.09870   0.00000   0.00000   0.00004   0.00004   2.09874
   A78        2.09070   0.00000   0.00001  -0.00014  -0.00014   2.09056
   A79        2.09378   0.00001   0.00000   0.00010   0.00010   2.09388
   A80        2.08972   0.00001   0.00000   0.00000   0.00000   2.08973
   A81        2.09714  -0.00004   0.00000  -0.00001  -0.00002   2.09713
   A82        2.09631   0.00003   0.00001   0.00001   0.00001   2.09632
   A83        2.09927   0.00000   0.00000   0.00005   0.00004   2.09932
   A84        2.09319  -0.00004   0.00000  -0.00028  -0.00027   2.09292
   A85        2.09072   0.00004   0.00000   0.00023   0.00023   2.09095
   A86        2.09633   0.00003   0.00000   0.00010   0.00010   2.09643
   A87        2.09804  -0.00002   0.00001  -0.00013  -0.00013   2.09791
   A88        2.08880  -0.00001   0.00000   0.00003   0.00003   2.08883
   A89        1.95736  -0.00421   0.00015  -0.00159  -0.00143   1.95593
   A90        1.92950   0.00223  -0.00009   0.00017   0.00008   1.92958
   A91        1.90615   0.00027  -0.00005   0.00213   0.00208   1.90823
   A92        1.89224  -0.00007   0.00001   0.00165   0.00166   1.89390
   A93        1.93498   0.00289  -0.00007   0.00039   0.00032   1.93530
   A94        1.84013  -0.00083   0.00003  -0.00282  -0.00279   1.83734
   A95        1.87554  -0.00045   0.00009   0.00508   0.00517   1.88070
   A96        1.99150   0.00495   0.00025  -0.00329  -0.00305   1.98846
   A97        1.95182  -0.00132  -0.00010   0.00058   0.00046   1.95228
   A98        1.80087  -0.00129  -0.00012   0.00058   0.00047   1.80134
   A99        1.90144   0.00061  -0.00019   0.00048   0.00028   1.90172
   A100       1.93374  -0.00254   0.00005  -0.00293  -0.00288   1.93086
   A101       1.92306  -0.00066  -0.00027  -0.00037  -0.00064   1.92242
   A102       1.93433   0.00062   0.00008   0.00025   0.00032   1.93465
   A103       1.90621  -0.00509  -0.00005  -0.00518  -0.00524   1.90097
   A104       1.91087   0.00248   0.00008   0.00097   0.00105   1.91191
   A105       1.95469   0.00263   0.00031  -0.00265  -0.00235   1.95234
   A106       1.91926  -0.00129  -0.00028   0.00394   0.00365   1.92292
   A107       1.83575   0.00067  -0.00015   0.00281   0.00267   1.83842
   A108       1.94564   0.00057  -0.00003   0.00191   0.00188   1.94752
   A109       1.91897  -0.00008   0.00004   0.00150   0.00154   1.92051
   A110       1.91886  -0.00030  -0.00008  -0.00088  -0.00096   1.91790
   A111       1.91624   0.00011   0.00005   0.00184   0.00188   1.91813
   A112       1.93099  -0.00040  -0.00003  -0.00300  -0.00303   1.92796
   A113       1.82977   0.00007   0.00005  -0.00155  -0.00150   1.82827
   A114       2.08714   0.00119   0.00006   0.00174   0.00180   2.08894
   A115       2.10420  -0.00065  -0.00006  -0.00053  -0.00059   2.10361
   A116       2.09185  -0.00054   0.00000  -0.00121  -0.00121   2.09064
   A117       2.09361   0.00013   0.00000   0.00056   0.00056   2.09417
   A118       2.08702   0.00018   0.00001   0.00039   0.00040   2.08742
   A119       2.10252  -0.00031  -0.00001  -0.00094  -0.00095   2.10157
   A120       2.09819   0.00001   0.00001  -0.00008  -0.00008   2.09811
   A121       2.09080   0.00007  -0.00001   0.00062   0.00061   2.09141
   A122       2.09420  -0.00008   0.00001  -0.00054  -0.00053   2.09366
   A123       2.09165   0.00000   0.00000  -0.00018  -0.00018   2.09146
   A124       2.09569  -0.00003   0.00001  -0.00020  -0.00020   2.09549
   A125       2.09585   0.00003   0.00000   0.00038   0.00038   2.09623
   A126       2.09858   0.00012  -0.00001   0.00034   0.00033   2.09891
   A127       2.09312  -0.00005   0.00000   0.00006   0.00006   2.09318
   A128       2.09148  -0.00007   0.00001  -0.00040  -0.00039   2.09109
   A129       2.09248   0.00027   0.00001   0.00057   0.00058   2.09307
   A130       2.09997  -0.00019  -0.00002  -0.00024  -0.00026   2.09971
   A131       2.09073  -0.00008   0.00001  -0.00033  -0.00032   2.09041
   A132       2.07402  -0.00680   0.00030  -0.01347  -0.01325   2.06077
   A133       1.95661   0.00269  -0.00002  -0.00096  -0.00107   1.95554
   A134       1.99829   0.00107  -0.00009  -0.00114  -0.00133   1.99696
   A135       2.26289  -0.00038   0.00004  -0.00452  -0.00449   2.25839
   A136       1.90124  -0.00213   0.00019   0.00025   0.00043   1.90167
   A137       2.11719   0.00270  -0.00023   0.00479   0.00455   2.12175
   A138       1.99403   0.00416  -0.00058   0.01206   0.01148   2.00550
   A139       1.87918  -0.00049  -0.00064   0.01778   0.01709   1.89627
   A140       1.79024  -0.00087   0.00046  -0.01443  -0.01393   1.77632
   A141       1.88686   0.00072  -0.00010   0.00322   0.00299   1.88985
   A142       1.99847  -0.00159   0.00020  -0.00846  -0.00822   1.99025
   A143       1.97108   0.00211   0.00003   0.00399   0.00393   1.97501
   A144       1.92529  -0.00006   0.00005  -0.00235  -0.00231   1.92298
   A145       2.27521   0.00031  -0.00034   0.00786   0.00752   2.28274
   A146       2.08526   0.00083   0.00033  -0.00669  -0.00637   2.07889
   A147       1.91765  -0.00116  -0.00008  -0.00032  -0.00042   1.91723
   A148       2.00935   0.00074   0.00006   0.00024   0.00027   2.00962
   A149       2.21683  -0.00012  -0.00016   0.00305   0.00289   2.21972
   A150       2.05689  -0.00061   0.00010  -0.00315  -0.00306   2.05383
   A151       1.95055  -0.00060  -0.00007   0.00040   0.00032   1.95087
   A152       1.97514   0.00102  -0.00003   0.00188   0.00183   1.97697
   A153       2.18168  -0.00039   0.00000   0.00033   0.00033   2.18201
   A154       2.12391  -0.00057   0.00006  -0.00165  -0.00160   2.12231
   A155       1.57177   0.00002   0.00012  -0.00194  -0.00182   1.56995
   A156       1.97145  -0.00151  -0.00022   0.00142   0.00119   1.97264
   A157       1.92770   0.00071   0.00018  -0.00363  -0.00345   1.92425
   A158       1.84969   0.00036  -0.00009   0.00241   0.00233   1.85202
   A159       1.93622   0.00010   0.00014  -0.00331  -0.00317   1.93305
   A160       1.88872   0.00039   0.00016  -0.00325  -0.00309   1.88563
   A161       1.88567   0.00003  -0.00019   0.00698   0.00679   1.89246
   A162       1.95305  -0.00004  -0.00040   0.00442   0.00402   1.95707
   A163       1.96969  -0.00170  -0.00009  -0.00201  -0.00211   1.96758
   A164       1.94330   0.00000   0.00015  -0.00372  -0.00358   1.93973
   A165       1.84266   0.00121   0.00013   0.00309   0.00322   1.84589
   A166       1.87666  -0.00014   0.00020  -0.00355  -0.00334   1.87332
   A167       1.87241   0.00080   0.00003   0.00193   0.00196   1.87436
   A168       1.92896   0.00028  -0.00003   0.00169   0.00166   1.93062
   A169       1.96587   0.00004   0.00001  -0.00036  -0.00035   1.96553
   A170       1.96081   0.00011   0.00005  -0.00072  -0.00068   1.96013
   A171       1.84891  -0.00003   0.00004   0.00035   0.00039   1.84930
   A172       1.86329  -0.00020  -0.00008   0.00038   0.00030   1.86359
   A173       1.88975  -0.00024   0.00001  -0.00128  -0.00127   1.88848
   A174       1.91790  -0.00030  -0.00004  -0.00035  -0.00039   1.91750
   A175       2.23997  -0.00003  -0.00012   0.00140   0.00128   2.24125
   A176       2.12531   0.00033   0.00016  -0.00105  -0.00090   2.12442
   A177       1.57866   0.00003   0.00002   0.00004   0.00006   1.57872
    D1        1.11279   0.00013   0.00023  -0.00291  -0.00268   1.11011
    D2       -3.01400  -0.00016   0.00023  -0.00512  -0.00489  -3.01889
    D3       -0.96410  -0.00003   0.00023  -0.00435  -0.00412  -0.96822
    D4       -3.08391   0.00012   0.00022  -0.00287  -0.00264  -3.08656
    D5       -0.92751  -0.00017   0.00022  -0.00508  -0.00486  -0.93237
    D6        1.12238  -0.00004   0.00022  -0.00431  -0.00408   1.11830
    D7       -0.97865   0.00010   0.00018  -0.00245  -0.00228  -0.98093
    D8        1.17775  -0.00019   0.00018  -0.00467  -0.00449   1.17326
    D9       -3.05554  -0.00006   0.00017  -0.00389  -0.00372  -3.05926
   D10        1.01375   0.00001   0.00006  -0.00126  -0.00120   1.01256
   D11        3.12078  -0.00006   0.00007  -0.00203  -0.00197   3.11882
   D12       -1.07555  -0.00005   0.00003  -0.00164  -0.00160  -1.07715
   D13       -1.13826   0.00001   0.00007  -0.00020  -0.00013  -1.13839
   D14        0.96877  -0.00006   0.00008  -0.00098  -0.00090   0.96787
   D15        3.05562  -0.00005   0.00004  -0.00058  -0.00053   3.05508
   D16        3.09052   0.00009   0.00005   0.00030   0.00035   3.09087
   D17       -1.08563   0.00001   0.00006  -0.00048  -0.00042  -1.08605
   D18        1.00121   0.00002   0.00002  -0.00008  -0.00005   1.00116
   D19        2.02999   0.00010  -0.00005   0.00096   0.00090   2.03089
   D20       -1.10460  -0.00006   0.00006  -0.00389  -0.00384  -1.10844
   D21       -2.08568   0.00011  -0.00004  -0.00018  -0.00022  -2.08591
   D22        1.06292  -0.00006   0.00007  -0.00503  -0.00496   1.05795
   D23       -0.02556   0.00005  -0.00003  -0.00030  -0.00033  -0.02589
   D24        3.12304  -0.00012   0.00008  -0.00515  -0.00507   3.11797
   D25       -3.13647   0.00004   0.00008  -0.00095  -0.00087  -3.13734
   D26       -0.00134   0.00019  -0.00002   0.00352   0.00350   0.00216
   D27        3.13676  -0.00005  -0.00002   0.00011   0.00009   3.13685
   D28        0.00124  -0.00019   0.00008  -0.00410  -0.00402  -0.00278
   D29        3.12986  -0.00005  -0.00013   0.00007  -0.00007   3.12980
   D30        0.00077  -0.00008  -0.00007  -0.00085  -0.00092  -0.00015
   D31        2.09666   0.00017   0.00022  -0.01033  -0.01011   2.08655
   D32       -2.01980  -0.00030   0.00000  -0.01014  -0.01014  -2.02994
   D33       -0.00900  -0.00012   0.00021  -0.01155  -0.01134  -0.02034
   D34       -1.05922   0.00022   0.00015  -0.00928  -0.00913  -1.06835
   D35        1.10751  -0.00026  -0.00007  -0.00909  -0.00916   1.09835
   D36        3.11831  -0.00008   0.00014  -0.01050  -0.01036   3.10794
   D37        0.00020  -0.00006   0.00013  -0.00228  -0.00215  -0.00196
   D38       -3.13992   0.00006  -0.00018   0.00189   0.00171  -3.13821
   D39       -3.12737  -0.00010   0.00020  -0.00331  -0.00311  -3.13048
   D40        0.01570   0.00002  -0.00011   0.00086   0.00075   0.01645
   D41       -1.21541  -0.00020   0.00053   0.00297   0.00350  -1.21192
   D42        1.29433   0.00016   0.00015  -0.00319  -0.00304   1.29129
   D43        2.90737  -0.00033   0.00076   0.00089   0.00164   2.90902
   D44       -0.86607   0.00003   0.00037  -0.00527  -0.00490  -0.87096
   D45        0.91605  -0.00011   0.00050   0.00460   0.00511   0.92116
   D46       -2.85739   0.00025   0.00012  -0.00156  -0.00143  -2.85882
   D47       -1.16783   0.00005  -0.00023  -0.00220  -0.00243  -1.17027
   D48        3.04629   0.00012  -0.00017  -0.00231  -0.00248   3.04380
   D49        0.93999   0.00004  -0.00024  -0.00237  -0.00260   0.93738
   D50        2.56483  -0.00007   0.00015   0.00327   0.00341   2.56824
   D51        0.49576   0.00000   0.00021   0.00316   0.00336   0.49913
   D52       -1.61054  -0.00008   0.00015   0.00310   0.00324  -1.60730
   D53       -2.75701  -0.00087   0.00120  -0.01526  -0.01406  -2.77107
   D54        0.39663   0.00023   0.00094   0.00613   0.00709   0.40371
   D55       -0.25132  -0.00103   0.00080  -0.02290  -0.02212  -0.27344
   D56        2.90232   0.00007   0.00054  -0.00152  -0.00097   2.90135
   D57        2.86538  -0.00153   0.00111  -0.02508  -0.02394   2.84143
   D58        0.38664  -0.00044   0.00132  -0.00463  -0.00331   0.38334
   D59       -0.26428  -0.00046   0.00086  -0.00392  -0.00306  -0.26734
   D60       -2.74302   0.00063   0.00106   0.01654   0.01758  -2.72544
   D61       -1.46758  -0.00051   0.00005   0.01573   0.01577  -1.45181
   D62        2.67727   0.00063   0.00012   0.01242   0.01252   2.68980
   D63        0.61517   0.00020   0.00012   0.01578   0.01589   0.63106
   D64        1.04004  -0.00110  -0.00014  -0.00355  -0.00369   1.03635
   D65       -1.09829   0.00003  -0.00008  -0.00687  -0.00693  -1.10523
   D66        3.12279  -0.00039  -0.00007  -0.00350  -0.00356   3.11923
   D67       -0.54617  -0.00012  -0.00060  -0.00549  -0.00608  -0.55225
   D68        2.58191   0.00078  -0.00006   0.00088   0.00081   2.58272
   D69        1.57183  -0.00080  -0.00076  -0.00362  -0.00437   1.56746
   D70       -1.58328   0.00010  -0.00022   0.00274   0.00252  -1.58076
   D71       -2.61251   0.00002  -0.00045  -0.00553  -0.00598  -2.61849
   D72        0.51557   0.00092   0.00009   0.00083   0.00091   0.51648
   D73        1.07335  -0.00039   0.00026   0.00906   0.00931   1.08266
   D74       -3.02996  -0.00086   0.00042   0.00294   0.00336  -3.02660
   D75       -0.99175  -0.00026   0.00024   0.01070   0.01094  -0.98080
   D76       -1.05430   0.00172   0.00031   0.00719   0.00750  -1.04680
   D77        1.12558   0.00126   0.00047   0.00107   0.00154   1.12712
   D78       -3.11939   0.00186   0.00029   0.00884   0.00913  -3.11027
   D79        3.12449   0.00007   0.00001   0.00745   0.00746   3.13195
   D80       -0.97882  -0.00039   0.00018   0.00133   0.00151  -0.97731
   D81        1.05940   0.00021   0.00000   0.00909   0.00909   1.06848
   D82        3.09471  -0.00079  -0.00077  -0.00295  -0.00372   3.09099
   D83        0.06501  -0.00053  -0.00097  -0.00184  -0.00282   0.06219
   D84       -0.06011   0.00008  -0.00025   0.00324   0.00300  -0.05710
   D85       -3.08981   0.00034  -0.00044   0.00435   0.00391  -3.08590
   D86        2.58800  -0.00053   0.00077  -0.01661  -0.01585   2.57215
   D87       -1.52351   0.00054   0.00073  -0.02163  -0.02090  -1.54441
   D88        0.54585  -0.00057   0.00075  -0.01585  -0.01509   0.53076
   D89       -0.66044  -0.00073   0.00097  -0.01780  -0.01684  -0.67728
   D90        1.51123   0.00034   0.00093  -0.02283  -0.02189   1.48934
   D91       -2.70259  -0.00077   0.00095  -0.01704  -0.01608  -2.71867
   D92        1.04693  -0.00006   0.00000  -0.00485  -0.00485   1.04208
   D93       -1.10363  -0.00001   0.00001  -0.00451  -0.00450  -1.10813
   D94       -3.07707  -0.00010  -0.00002  -0.00492  -0.00494  -3.08201
   D95       -1.11495   0.00012  -0.00003   0.00230   0.00226  -1.11269
   D96        3.01768   0.00017  -0.00002   0.00263   0.00261   3.02029
   D97        1.04423   0.00008  -0.00005   0.00223   0.00218   1.04641
   D98        3.07574  -0.00011  -0.00005   0.00022   0.00017   3.07591
   D99        0.92518  -0.00006  -0.00004   0.00055   0.00052   0.92570
   D100      -1.04826  -0.00015  -0.00007   0.00015   0.00009  -1.04818
   D101       1.25748  -0.00310   0.00060   0.00994   0.01053   1.26801
   D102      -0.85655  -0.00169   0.00054   0.00880   0.00934  -0.84721
   D103      -2.87362  -0.00210   0.00058   0.01088   0.01146  -2.86216
   D104      -2.87828  -0.00171   0.00060   0.00151   0.00210  -2.87618
   D105       1.29088  -0.00029   0.00054   0.00037   0.00091   1.29179
   D106      -0.72619  -0.00071   0.00058   0.00245   0.00303  -0.72316
   D107      -0.79230  -0.00166   0.00063   0.00108   0.00171  -0.79059
   D108      -2.90633  -0.00025   0.00057  -0.00006   0.00052  -2.90581
   D109       1.35979  -0.00066   0.00061   0.00202   0.00263   1.36242
   D110      -1.66710   0.00001  -0.00021   0.00285   0.00264  -1.66447
   D111       1.48411  -0.00001  -0.00019   0.00212   0.00193   1.48604
   D112       0.47029  -0.00004  -0.00019   0.00210   0.00191   0.47220
   D113      -2.66168  -0.00007  -0.00017   0.00137   0.00120  -2.66048
   D114       2.46876   0.00016  -0.00022   0.00379   0.00357   2.47233
   D115      -0.66321   0.00013  -0.00020   0.00306   0.00286  -0.66035
   D116       3.14048   0.00000   0.00001   0.00018   0.00019   3.14066
   D117      -0.01585  -0.00002   0.00002  -0.00034  -0.00032  -0.01617
   D118      -0.01063   0.00002  -0.00002   0.00091   0.00089  -0.00974
   D119       3.11623   0.00000   0.00000   0.00038   0.00038   3.11661
   D120      -3.14025   0.00001  -0.00001   0.00013   0.00011  -3.14014
   D121       0.00770   0.00001  -0.00001   0.00009   0.00008   0.00778
   D122       0.01092  -0.00002   0.00001  -0.00060  -0.00059   0.01033
   D123      -3.12431  -0.00002   0.00001  -0.00064  -0.00063  -3.12494
   D124       0.00242  -0.00002   0.00001  -0.00064  -0.00063   0.00179
   D125       3.14012  -0.00003   0.00002  -0.00104  -0.00102   3.13909
   D126      -3.12452   0.00000   0.00000  -0.00012  -0.00012  -3.12464
   D127       0.01318  -0.00001   0.00001  -0.00052  -0.00052   0.01266
   D128       0.00555   0.00000   0.00000   0.00008   0.00007   0.00562
   D129      -3.14086  -0.00001   0.00001  -0.00046  -0.00045  -3.14131
   D130      -3.13213   0.00002  -0.00001   0.00047   0.00046  -3.13167
   D131       0.00464   0.00000   0.00001  -0.00006  -0.00006   0.00458
   D132      -0.00527   0.00001   0.00000   0.00023   0.00023  -0.00504
   D133       3.13395   0.00000   0.00001   0.00001   0.00001   3.13396
   D134       3.14115   0.00002  -0.00002   0.00077   0.00075  -3.14129
   D135      -0.00283   0.00002  -0.00001   0.00054   0.00053  -0.00230
   D136      -0.00300   0.00000   0.00000   0.00003   0.00003  -0.00297
   D137       3.13226   0.00000   0.00000   0.00007   0.00007   3.13233
   D138       3.14097   0.00001  -0.00001   0.00026   0.00025   3.14122
   D139      -0.00695   0.00001  -0.00001   0.00029   0.00028  -0.00667
   D140      -1.79606  -0.00072   0.00009  -0.00447  -0.00438  -1.80044
   D141       2.50194  -0.00153   0.00004  -0.00658  -0.00654   2.49539
   D142       0.28985  -0.00103  -0.00015  -0.00030  -0.00045   0.28940
   D143       0.33929  -0.00071   0.00008  -0.00415  -0.00407   0.33521
   D144      -1.64590  -0.00152   0.00003  -0.00626  -0.00623  -1.65213
   D145       2.42519  -0.00102  -0.00016   0.00002  -0.00014   2.42505
   D146       2.35133  -0.00017   0.00009  -0.00638  -0.00629   2.34504
   D147       0.36614  -0.00098   0.00004  -0.00849  -0.00845   0.35769
   D148      -1.84595  -0.00048  -0.00015  -0.00221  -0.00236  -1.84831
   D149       1.68813  -0.00171  -0.00161   0.00811   0.00650   1.69463
   D150      -2.48513   0.00309  -0.00134   0.00697   0.00563  -2.47949
   D151      -0.42966  -0.00021  -0.00143   0.00412   0.00270  -0.42697
   D152      -1.16099  -0.00024   0.00036  -0.00687  -0.00652  -1.16750
   D153       2.96065  -0.00046  -0.00005  -0.00010  -0.00016   2.96048
   D154       0.95916   0.00018   0.00011  -0.00114  -0.00104   0.95813
   D155       3.09313  -0.00129   0.00020  -0.01172  -0.01152   3.08161
   D156       0.93158  -0.00151  -0.00021  -0.00495  -0.00516   0.92641
   D157      -1.06991  -0.00087  -0.00005  -0.00599  -0.00604  -1.07594
   D158       1.06046  -0.00016   0.00047  -0.01127  -0.01080   1.04966
   D159      -1.10109  -0.00038   0.00006  -0.00450  -0.00445  -1.10554
   D160      -3.10257   0.00027   0.00022  -0.00554  -0.00532  -3.10790
   D161       2.94706   0.00206  -0.00029   0.00279   0.00250   2.94956
   D162      -1.20682   0.00253  -0.00022   0.00745   0.00723  -1.19959
   D163       0.79908   0.00240  -0.00018   0.00593   0.00575   0.80483
   D164      -1.20260  -0.00219  -0.00008  -0.00557  -0.00566  -1.20826
   D165       0.92670  -0.00172  -0.00001  -0.00091  -0.00092   0.92578
   D166       2.93260  -0.00186   0.00003  -0.00243  -0.00241   2.93020
   D167       0.83186  -0.00059  -0.00026  -0.00121  -0.00147   0.83039
   D168       2.96115  -0.00012  -0.00018   0.00345   0.00327   2.96442
   D169      -1.31613  -0.00025  -0.00015   0.00193   0.00178  -1.31434
   D170       1.14182  -0.00432   0.00016  -0.02174  -0.02156   1.12026
   D171      -1.25377  -0.00133  -0.00003  -0.00258  -0.00262  -1.25639
   D172      -1.00767  -0.00328  -0.00012  -0.01658  -0.01669  -1.02436
   D173       2.87992  -0.00029  -0.00031   0.00258   0.00225   2.88217
   D174      -3.09191  -0.00355   0.00015  -0.02163  -0.02147  -3.11338
   D175       0.79569  -0.00056  -0.00004  -0.00248  -0.00253   0.79315
   D176       1.64033   0.00025   0.00000   0.00366   0.00366   1.64400
   D177      -1.50181   0.00021  -0.00003   0.00262   0.00259  -1.49921
   D178      -0.49054  -0.00011  -0.00007  -0.00080  -0.00087  -0.49141
   D179       2.65050  -0.00015  -0.00010  -0.00184  -0.00194   2.64856
   D180      -2.50181  -0.00003  -0.00014   0.00174   0.00159  -2.50021
   D181       0.63924  -0.00007  -0.00017   0.00070   0.00053   0.63976
   D182       3.13681  -0.00001  -0.00002  -0.00032  -0.00035   3.13647
   D183      -0.01412   0.00003  -0.00006   0.00120   0.00114  -0.01297
   D184      -0.00423   0.00003   0.00001   0.00071   0.00071  -0.00352
   D185       3.12802   0.00007  -0.00003   0.00223   0.00220   3.13022
   D186      -3.13632   0.00001   0.00003   0.00007   0.00010  -3.13622
   D187       0.00475   0.00002   0.00004   0.00030   0.00034   0.00509
   D188       0.00472  -0.00004   0.00000  -0.00097  -0.00097   0.00375
   D189      -3.13740  -0.00002   0.00001  -0.00073  -0.00072  -3.13812
   D190       0.00048   0.00000  -0.00001   0.00011   0.00009   0.00057
   D191       3.14058   0.00001  -0.00002   0.00062   0.00060   3.14118
   D192      -3.13170  -0.00004   0.00002  -0.00144  -0.00141  -3.13311
   D193       0.00841  -0.00003   0.00001  -0.00093  -0.00091   0.00750
   D194       0.00279  -0.00002   0.00001  -0.00065  -0.00064   0.00215
   D195      -3.14037   0.00000   0.00000   0.00015   0.00015  -3.14022
   D196      -3.13731  -0.00003   0.00002  -0.00117  -0.00114  -3.13845
   D197       0.00272  -0.00001   0.00001  -0.00037  -0.00036   0.00236
   D198      -0.00230   0.00001  -0.00001   0.00039   0.00038  -0.00192
   D199       3.13925   0.00001  -0.00002   0.00060   0.00058   3.13983
   D200       3.14086  -0.00001   0.00000  -0.00041  -0.00041   3.14045
   D201      -0.00078  -0.00001  -0.00001  -0.00019  -0.00020  -0.00098
   D202      -0.00146   0.00001   0.00000   0.00042   0.00043  -0.00104
   D203       3.14066  -0.00001  -0.00001   0.00019   0.00018   3.14083
   D204       3.14018   0.00001   0.00001   0.00020   0.00022   3.14040
   D205      -0.00089   0.00000   0.00000  -0.00003  -0.00003  -0.00092
   D206       0.62384  -0.00097   0.00073  -0.01827  -0.01755   0.60629
   D207      -2.58390   0.00250   0.00074  -0.00868  -0.00796  -2.59187
   D208       3.00255  -0.00349   0.00096  -0.03796  -0.03698   2.96558
   D209      -0.20519  -0.00002   0.00097  -0.02837  -0.02739  -0.23258
   D210       3.08133  -0.00768  -0.00183  -0.01450  -0.01635   3.06498
   D211      -0.11986  -0.00467  -0.00181  -0.00626  -0.00805  -0.12791
   D212      -1.19680  -0.00370  -0.00129  -0.00851  -0.00987  -1.20667
   D213       2.97221  -0.00121  -0.00145   0.00042  -0.00100   2.97120
   D214       0.93787  -0.00102  -0.00168   0.00863   0.00699   0.94486
   D215      -1.77800   0.00088   0.00048  -0.08704  -0.08650  -1.86450
   D216       1.24388   0.00058  -0.00054  -0.07723  -0.07772   1.16617
   D217       0.20026  -0.00137   0.00075  -0.09807  -0.09733   0.10293
   D218      -3.06104  -0.00167  -0.00028  -0.08825  -0.08854   3.13360
   D219       2.42344  -0.00096   0.00102  -0.10525  -0.10427   2.31917
   D220      -0.83786  -0.00126  -0.00001  -0.09543  -0.09549  -0.93335
   D221       3.05649  -0.00099  -0.00101  -0.00335  -0.00433   3.05215
   D222      -0.10180  -0.00010  -0.00081   0.00731   0.00652  -0.09528
   D223       0.02567  -0.00082  -0.00008  -0.01202  -0.01210   0.01357
   D224      -3.13262   0.00008   0.00011  -0.00137  -0.00125  -3.13387
   D225      -3.06526   0.00083   0.00127  -0.00278  -0.00146  -3.06672
   D226      -0.02058   0.00066   0.00041   0.00582   0.00623  -0.01435
   D227      -0.01730   0.00055  -0.00044   0.01358   0.01314  -0.00415
   D228       3.13937  -0.00026  -0.00061   0.00390   0.00332  -3.14049
   D229       0.00042  -0.00003   0.00075  -0.00859  -0.00784  -0.00742
   D230      -3.06664  -0.00098   0.00022  -0.01699  -0.01678  -3.08342
   D231       0.01174  -0.00035  -0.00068   0.00169   0.00101   0.01275
   D232       3.08158   0.00056  -0.00017   0.00987   0.00969   3.09128
   D233      -1.11051  -0.00005  -0.00020  -0.02131  -0.02151  -1.13202
   D234       0.96497   0.00030  -0.00037  -0.01561  -0.01598   0.94899
   D235       3.07188   0.00015  -0.00029  -0.01722  -0.01751   3.05438
   D236       2.99744   0.00009  -0.00039  -0.01500  -0.01539   2.98205
   D237      -1.21027   0.00044  -0.00056  -0.00931  -0.00987  -1.22013
   D238       0.89665   0.00029  -0.00048  -0.01092  -0.01139   0.88526
   D239       0.93168  -0.00025  -0.00034  -0.01959  -0.01993   0.91175
   D240       3.00716   0.00011  -0.00051  -0.01389  -0.01440   2.99276
   D241      -1.16911  -0.00005  -0.00043  -0.01550  -0.01593  -1.18504
   D242       2.97585   0.00067   0.00000   0.00167   0.00167   2.97751
   D243      -1.24306   0.00085   0.00004   0.00302   0.00306  -1.24000
   D244       0.89669   0.00065   0.00009   0.00052   0.00060   0.89729
   D245      -1.10753  -0.00071  -0.00004  -0.00163  -0.00166  -1.10920
   D246       0.95674  -0.00053   0.00000  -0.00028  -0.00028   0.95647
   D247       3.09649  -0.00072   0.00005  -0.00278  -0.00273   3.09377
   D248       0.96007  -0.00016   0.00011  -0.00323  -0.00312   0.95695
   D249       3.02435   0.00002   0.00015  -0.00188  -0.00173   3.02262
   D250      -1.11909  -0.00018   0.00021  -0.00438  -0.00418  -1.12327
   D251      -0.00077   0.00014  -0.00012   0.00346   0.00334   0.00257
   D252       3.13946   0.00002   0.00017  -0.00039  -0.00021   3.13925
         Item               Value     Threshold  Converged?
 Maximum Force            0.009739     0.000450     NO 
 RMS     Force            0.001264     0.000300     NO 
 Maximum Displacement     0.318424     0.001800     NO 
 RMS     Displacement     0.064240     0.001200     NO 
 Predicted change in Energy=-1.303112D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.610557   -2.122443    1.197845
      2          6           0       -9.286583   -1.213086    0.007707
      3          6           0      -10.211287    0.005859   -0.044153
      4          6           0       -7.854008   -0.784584    0.058348
      5          7           0       -6.921106   -1.068350   -0.817039
      6          6           0       -5.661510   -0.509354   -0.467487
      7          6           0       -4.508100   -0.781821   -1.391505
      8          7           0       -3.908948    0.445506   -1.976092
      9          6           0       -4.788543    1.135951   -2.959027
     10          6           0       -3.094477    1.309719   -1.194008
     11          8           0       -2.907044    2.481152   -1.505467
     12          7           0       -2.463526    0.749904   -0.045554
     13          6           0       -1.331463    1.514765    0.529306
     14          6           0       -0.030057    1.196380   -0.235045
     15          8           0        0.190245    0.099668   -0.746768
     16          7           0        0.893715    2.225719   -0.327035
     17          6           0        2.217848    2.028685   -0.983704
     18          6           0        2.653915    3.347181   -1.662577
     19          6           0        2.790999    4.513679   -0.724084
     20          6           0        1.723956    5.411631   -0.561284
     21          6           0        1.846681    6.496621    0.310853
     22          6           0        3.032196    6.695973    1.024492
     23          6           0        4.099858    5.808236    0.857603
     24          6           0        3.983397    4.721926   -0.013518
     25          6           0        3.266060    1.523207    0.029377
     26          6           0        3.029258    0.060677    0.421561
     27          8           0        2.425562    0.048654    1.734580
     28          6           0        4.335742   -0.757501    0.623728
     29          6           0        5.086412   -0.928513   -0.708454
     30          6           0        6.469831   -1.478972   -0.497216
     31          6           0        6.688795   -2.862606   -0.587402
     32          6           0        7.972170   -3.379997   -0.398423
     33          6           0        9.042364   -2.523486   -0.118403
     34          6           0        8.824459   -1.145729   -0.025202
     35          6           0        7.542255   -0.620959   -0.212964
     36          7           0        3.991678   -2.076006    1.242776
     37          6           0        3.200510   -2.961393    0.506750
     38          8           0        3.172030   -3.156818   -0.696865
     39          8           0        2.422601   -3.714482    1.388026
     40          6           0        1.463246   -4.621723    0.745551
     41          6           0        0.406568   -3.813555    0.102247
     42          6           0       -0.898985   -3.605344    0.454960
     43          7           0       -1.593773   -2.671986   -0.342612
     44          6           0       -0.824947   -2.169672   -1.290591
     45         16           0        0.820798   -2.803711   -1.262131
     46          6           0       -1.198107    1.174842    2.044987
     47          6           0       -0.889196   -0.301233    2.302234
     48          6           0       -0.144421    2.070894    2.697800
     49          6           0       -5.647759    0.208674    0.693231
     50         16           0       -7.233823    0.215598    1.401898
     51          1           0      -10.619080   -2.541767    1.104426
     52          1           0       -8.909849   -2.964139    1.262035
     53          1           0       -9.570314   -1.587511    2.154548
     54          1           0       -9.432626   -1.807231   -0.940188
     55          1           0      -10.162383    0.608309    0.871159
     56          1           0       -9.959556    0.664504   -0.884569
     57          1           0      -11.256289   -0.302297   -0.169784
     58          1           0       -3.724272   -1.381126   -0.856067
     59          1           0       -4.839037   -1.432371   -2.241151
     60          1           0       -4.900579    0.490068   -3.844944
     61          1           0       -4.327533    2.090146   -3.278675
     62          1           0       -5.787957    1.360163   -2.552065
     63          1           0       -2.329005   -0.274531   -0.014665
     64          1           0       -1.568382    2.614210    0.424514
     65          1           0        0.739021    3.120176    0.134714
     66          1           0        2.081576    1.249197   -1.789171
     67          1           0        1.922649    3.589951   -2.466438
     68          1           0        3.609597    3.174114   -2.200503
     69          1           0        0.801476    5.274540   -1.124526
     70          1           0        1.015729    7.191149    0.430912
     71          1           0        3.126031    7.541178    1.703401
     72          1           0        5.027549    5.964813    1.406809
     73          1           0        4.822914    4.042530   -0.142426
     74          1           0        3.248121    2.144021    0.952836
     75          1           0        4.280957    1.659268   -0.394114
     76          1           0        2.347337   -0.457418   -0.296374
     77          1           0        1.436638   -0.036964    1.656573
     78          1           0        4.992435   -0.238336    1.375250
     79          1           0        4.508581   -1.601790   -1.390490
     80          1           0        5.132770    0.042196   -1.242643
     81          1           0        5.850618   -3.528161   -0.798064
     82          1           0        8.139030   -4.453721   -0.468576
     83          1           0       10.040967   -2.928894    0.027053
     84          1           0        9.655504   -0.478141    0.194180
     85          1           0        7.381751    0.450942   -0.138042
     86          1           0        3.715149   -1.978814    2.234451
     87          1           0        1.110853   -5.222191    1.604101
     88          1           0        2.017561   -5.264924    0.030097
     89          1           0       -1.442626   -4.079169    1.265027
     90          1           0       -1.125679   -1.395010   -1.993777
     91          1           0       -2.195528    1.406607    2.505208
     92          1           0       -1.711472   -0.957947    1.984379
     93          1           0        0.003681   -0.652128    1.754965
     94          1           0       -0.715073   -0.488502    3.367000
     95          1           0       -0.161907    1.955846    3.790397
     96          1           0        0.879113    1.818415    2.383458
     97          1           0       -0.314293    3.131927    2.489074
     98          1           0       -4.818323    0.722150    1.154056
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0804885      0.0287507      0.0230968
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3649.4754472156 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.257141390688     A.U. after   18 cycles
             Convg  =    0.9047D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000186321   -0.000285447   -0.000203323
      2        6          -0.000143670    0.000457127    0.000472724
      3        6           0.000366346   -0.000263707   -0.000030240
      4        6           0.000291086   -0.000386639    0.000372347
      5        7          -0.000974015   -0.000527593   -0.000684493
      6        6           0.000650459    0.000912699    0.000433066
      7        6          -0.000643525   -0.000330285    0.000193206
      8        7          -0.000553491   -0.000781314    0.000744277
      9        6           0.000347085    0.000361959   -0.000008736
     10        6           0.000528504   -0.000502435   -0.000969167
     11        8          -0.000455329    0.000538738    0.001117471
     12        7          -0.001850913   -0.000866090    0.001198615
     13        6           0.000437582    0.000489815    0.000489539
     14        6          -0.001163363    0.002384212   -0.000953825
     15        8           0.000572284   -0.001942306    0.000479377
     16        7          -0.001099672    0.000545632    0.000928361
     17        6           0.000908338   -0.000115169   -0.000418633
     18        6           0.000142752    0.000596178   -0.000096873
     19        6          -0.000070912   -0.000203034   -0.000002789
     20        6          -0.000021729   -0.000206433    0.000060879
     21        6           0.000155041    0.000148156   -0.000040301
     22        6          -0.000104720   -0.000138904    0.000072278
     23        6          -0.000068560   -0.000023854    0.000018831
     24        6           0.000099632    0.000053701   -0.000053045
     25        6           0.000334219   -0.000177080   -0.000293794
     26        6           0.001938636   -0.001108190   -0.000004202
     27        8           0.000453573    0.000039126    0.000165766
     28        6          -0.002391127   -0.000310873   -0.000300494
     29        6          -0.000508849   -0.000360164    0.000160340
     30        6           0.000279955    0.000324304    0.000169670
     31        6          -0.000356815   -0.000350949   -0.000053279
     32        6           0.000160969    0.000250264    0.000050809
     33        6          -0.000116479   -0.000117535   -0.000022516
     34        6           0.000061155   -0.000047566   -0.000060149
     35        6          -0.000164036   -0.000025913    0.000003130
     36        7           0.001828619   -0.001069102    0.000728645
     37        6           0.000993396    0.003405453    0.001744878
     38        8           0.001157608   -0.000019739    0.000736831
     39        8          -0.000822009    0.002388178   -0.002157154
     40        6          -0.000624129   -0.000499005   -0.002131285
     41        6          -0.000703198   -0.002121369    0.001912215
     42        6          -0.000595594    0.000842367   -0.000698179
     43        7           0.000650285    0.000224451   -0.000710232
     44        6          -0.000508016   -0.000882029    0.000679464
     45       16           0.000720555   -0.000183763   -0.000869563
     46        6           0.000185552    0.001239938   -0.000176859
     47        6          -0.001297984    0.001079009   -0.001945579
     48        6           0.000029635   -0.000540260    0.000445169
     49        6           0.000421654   -0.000458818    0.000255330
     50       16          -0.000390340    0.000192131   -0.000306643
     51        1           0.000046878    0.000060981    0.000053088
     52        1          -0.000119813    0.000105629    0.000042904
     53        1          -0.000140857    0.000137943   -0.000150686
     54        1          -0.000015225   -0.000093686    0.000105088
     55        1          -0.000144795    0.000127844   -0.000023382
     56        1           0.000049822   -0.000015713   -0.000110967
     57        1          -0.000070271    0.000006779   -0.000098615
     58        1           0.000706718   -0.000298674   -0.000760717
     59        1           0.000175187    0.000460044    0.000024562
     60        1           0.000075538    0.000018995   -0.000190088
     61        1          -0.000136083    0.000031929   -0.000264789
     62        1           0.000037358    0.000123490    0.000026577
     63        1           0.000719123   -0.000969331   -0.000109667
     64        1           0.000667618    0.000424300   -0.000116094
     65        1          -0.000253148   -0.000219389    0.000167021
     66        1          -0.000118663   -0.000034344    0.000190004
     67        1          -0.000034372   -0.000083528   -0.000016202
     68        1          -0.000027867   -0.000050860    0.000015794
     69        1           0.000051235    0.000092097   -0.000055735
     70        1          -0.000017674    0.000012055   -0.000016834
     71        1           0.000010802    0.000011250   -0.000018052
     72        1           0.000018226   -0.000006183   -0.000001205
     73        1          -0.000043275    0.000007633   -0.000012682
     74        1          -0.000209585    0.000201434   -0.000408486
     75        1           0.000454825    0.000094531    0.000320462
     76        1           0.000880255    0.000500782   -0.000570581
     77        1          -0.000184103    0.000536481    0.000027976
     78        1          -0.000209223    0.000200500   -0.000408612
     79        1           0.000133312   -0.000238466   -0.000160834
     80        1          -0.000074267   -0.000283261    0.000168523
     81        1          -0.000061214    0.000192756    0.000072199
     82        1           0.000029930   -0.000043373   -0.000017358
     83        1           0.000014388   -0.000002098    0.000008366
     84        1          -0.000008964   -0.000033174   -0.000004889
     85        1           0.000062358   -0.000021699   -0.000020745
     86        1          -0.000986526   -0.000730203    0.000462215
     87        1           0.000368666   -0.001054033    0.000761789
     88        1           0.000595228   -0.000104061    0.000135867
     89        1           0.000084113    0.000015431    0.000015312
     90        1          -0.000926824    0.001023609    0.000268658
     91        1           0.000117917    0.000006767    0.000111424
     92        1           0.000304909   -0.000476861    0.000064902
     93        1           0.000078934   -0.001182062   -0.000388781
     94        1           0.000204601    0.000163750    0.000815673
     95        1           0.000081989   -0.000078708   -0.000280712
     96        1          -0.000095258   -0.000111578   -0.000095853
     97        1          -0.000141278   -0.000203476    0.000057266
     98        1          -0.000223414    0.000149877   -0.000054969
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003405453 RMS     0.000645758

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.006304389 RMS     0.000850948
 Search for a local minimum.
 Step number  54 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   50   49   52   51   53
                                                     54
 DE= -8.14D-04 DEPred=-1.30D-03 R= 6.25D-01
 SS=  1.41D+00  RLast= 2.62D-01 DXNew= 4.4265D-01 7.8503D-01
 Trust test= 6.25D-01 RLast= 2.62D-01 DXMaxT set to 4.43D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00115   0.00152   0.00200   0.00248   0.00312
     Eigenvalues ---    0.00371   0.00453   0.00483   0.00602   0.00622
     Eigenvalues ---    0.00734   0.00762   0.00878   0.00939   0.00956
     Eigenvalues ---    0.00998   0.01065   0.01170   0.01202   0.01275
     Eigenvalues ---    0.01299   0.01350   0.01399   0.01440   0.01460
     Eigenvalues ---    0.01508   0.01596   0.01649   0.01734   0.01752
     Eigenvalues ---    0.01811   0.01927   0.02080   0.02144   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02220   0.02257   0.02268
     Eigenvalues ---    0.02289   0.02325   0.02344   0.02370   0.02404
     Eigenvalues ---    0.02405   0.02410   0.02419   0.02450   0.02482
     Eigenvalues ---    0.02485   0.02496   0.02527   0.02528   0.02673
     Eigenvalues ---    0.02700   0.02723   0.02972   0.03320   0.03611
     Eigenvalues ---    0.03926   0.04019   0.04090   0.04168   0.04292
     Eigenvalues ---    0.04534   0.04648   0.04866   0.04947   0.05014
     Eigenvalues ---    0.05098   0.05149   0.05202   0.05313   0.05387
     Eigenvalues ---    0.05434   0.05441   0.05457   0.05519   0.05571
     Eigenvalues ---    0.05602   0.05688   0.05723   0.05816   0.05833
     Eigenvalues ---    0.05872   0.05924   0.05985   0.06005   0.06191
     Eigenvalues ---    0.06469   0.06682   0.06770   0.07024   0.07083
     Eigenvalues ---    0.07521   0.07751   0.08300   0.08633   0.08727
     Eigenvalues ---    0.09239   0.09656   0.09870   0.10313   0.10564
     Eigenvalues ---    0.11964   0.12900   0.13129   0.13167   0.13433
     Eigenvalues ---    0.13744   0.13769   0.14382   0.15469   0.15648
     Eigenvalues ---    0.15681   0.15873   0.15943   0.15965   0.15977
     Eigenvalues ---    0.15988   0.15989   0.15996   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16002   0.16003   0.16003   0.16012
     Eigenvalues ---    0.16026   0.16033   0.16046   0.16080   0.16104
     Eigenvalues ---    0.16157   0.16286   0.16330   0.16870   0.17079
     Eigenvalues ---    0.17420   0.17936   0.18014   0.18499   0.19003
     Eigenvalues ---    0.19304   0.19515   0.20597   0.20781   0.21643
     Eigenvalues ---    0.21819   0.21994   0.22000   0.22001   0.22021
     Eigenvalues ---    0.22047   0.22191   0.22555   0.22747   0.23100
     Eigenvalues ---    0.23363   0.23494   0.23593   0.23708   0.24041
     Eigenvalues ---    0.24224   0.24591   0.24714   0.24878   0.25010
     Eigenvalues ---    0.25038   0.25115   0.25208   0.25595   0.26325
     Eigenvalues ---    0.26933   0.28371   0.29099   0.29358   0.29768
     Eigenvalues ---    0.29890   0.29973   0.30125   0.30258   0.30370
     Eigenvalues ---    0.30624   0.30700   0.30872   0.31223   0.31327
     Eigenvalues ---    0.31398   0.31433   0.31499   0.31659   0.31714
     Eigenvalues ---    0.31780   0.31961   0.32067   0.32267   0.32457
     Eigenvalues ---    0.32550   0.32596   0.32733   0.32776   0.32830
     Eigenvalues ---    0.32865   0.32922   0.32994   0.33047   0.33072
     Eigenvalues ---    0.33186   0.33203   0.33237   0.33455   0.33584
     Eigenvalues ---    0.33631   0.33671   0.33705   0.33767   0.33845
     Eigenvalues ---    0.33957   0.33989   0.34086   0.34145   0.34213
     Eigenvalues ---    0.34257   0.34384   0.34427   0.34510   0.34551
     Eigenvalues ---    0.34713   0.34964   0.35315   0.36247   0.36302
     Eigenvalues ---    0.36313   0.36376   0.36633   0.36825   0.36938
     Eigenvalues ---    0.37031   0.38349   0.38642   0.38952   0.39384
     Eigenvalues ---    0.40357   0.40817   0.41484   0.42152   0.42480
     Eigenvalues ---    0.42921   0.43296   0.43921   0.44362   0.44892
     Eigenvalues ---    0.45222   0.45919   0.46559   0.47544   0.48202
     Eigenvalues ---    0.48367   0.48456   0.48671   0.49044   0.49265
     Eigenvalues ---    0.49831   0.50466   0.50504   0.51036   0.51246
     Eigenvalues ---    0.51431   0.53246   0.56404   0.58879   0.59405
     Eigenvalues ---    0.62973   0.65255   0.76092   0.78323   0.83252
     Eigenvalues ---    0.97353   1.22815   1.997001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-1.61291681D-03 EMin= 1.14626074D-03
 Quartic linear search produced a step of -0.10383.
 Iteration  1 RMS(Cart)=  0.08903837 RMS(Int)=  0.00179482
 Iteration  2 RMS(Cart)=  0.00310136 RMS(Int)=  0.00002786
 Iteration  3 RMS(Cart)=  0.00000907 RMS(Int)=  0.00002754
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002754
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89586  -0.00026   0.00002  -0.00121  -0.00119   2.89467
    R2        2.07154   0.00008  -0.00002   0.00043   0.00041   2.07195
    R3        2.07316   0.00015   0.00004   0.00064   0.00068   2.07384
    R4        2.07272  -0.00022  -0.00003  -0.00092  -0.00095   2.07177
    R5        2.89294   0.00033   0.00008   0.00108   0.00117   2.89411
    R6        2.82730   0.00016   0.00012   0.00030   0.00041   2.82772
    R7        2.13199  -0.00012  -0.00004  -0.00067  -0.00072   2.13128
    R8        2.07279  -0.00016  -0.00003  -0.00088  -0.00091   2.07188
    R9        2.07309   0.00010  -0.00002   0.00099   0.00098   2.07407
   R10        2.07248  -0.00006  -0.00003  -0.00020  -0.00022   2.07226
   R11        2.47628   0.00039   0.00009   0.00060   0.00069   2.47698
   R12        3.37522  -0.00009  -0.00004   0.00017   0.00013   3.37535
   R13        2.68663  -0.00095  -0.00003  -0.00286  -0.00289   2.68374
   R14        2.83988  -0.00017   0.00022  -0.00190  -0.00168   2.83820
   R15        2.57933   0.00011   0.00006  -0.00005   0.00001   2.57934
   R16        2.80741  -0.00040   0.00022  -0.00343  -0.00321   2.80420
   R17        2.12142  -0.00100   0.00014  -0.00390  -0.00376   2.11766
   R18        2.11669   0.00043   0.00000   0.00071   0.00071   2.11740
   R19        2.81345   0.00064   0.00006   0.00109   0.00114   2.81459
   R20        2.68706  -0.00032   0.00009  -0.00342  -0.00332   2.68373
   R21        2.08262   0.00007  -0.00006   0.00071   0.00066   2.08327
   R22        2.09171   0.00019  -0.00002   0.00043   0.00041   2.09212
   R23        2.08275   0.00004  -0.00002   0.00047   0.00045   2.08320
   R24        2.31782  -0.00125   0.00018  -0.00190  -0.00171   2.31611
   R25        2.69274  -0.00011  -0.00009   0.00149   0.00140   2.69414
   R26        2.80103  -0.00244   0.00052  -0.00897  -0.00845   2.79258
   R27        1.95339  -0.00106   0.00014  -0.00073  -0.00059   1.95280
   R28        2.91487  -0.00047   0.00022  -0.00012   0.00010   2.91497
   R29        2.94617  -0.00125   0.00051  -0.00489  -0.00438   2.94179
   R30        2.13455   0.00014   0.00009  -0.00064  -0.00055   2.13400
   R31        2.32457  -0.00187  -0.00007  -0.00249  -0.00256   2.32201
   R32        2.61940  -0.00135  -0.00006   0.00013   0.00007   2.61948
   R33        2.81776  -0.00222  -0.00036   0.00005  -0.00031   2.81745
   R34        1.92455   0.00005   0.00004   0.00066   0.00070   1.92525
   R35        2.92111   0.00001   0.00013  -0.00162  -0.00148   2.91963
   R36        2.91569  -0.00149  -0.00027   0.00202   0.00175   2.91744
   R37        2.13376  -0.00005  -0.00031   0.00259   0.00227   2.13603
   R38        2.84106   0.00024  -0.00002   0.00126   0.00123   2.84229
   R39        2.10421  -0.00005  -0.00009  -0.00021  -0.00030   2.10391
   R40        2.09806   0.00002   0.00006   0.00013   0.00019   2.09825
   R41        2.65330   0.00005  -0.00004   0.00047   0.00043   2.65373
   R42        2.65241  -0.00004  -0.00006   0.00015   0.00009   2.65250
   R43        2.64081  -0.00005  -0.00003   0.00012   0.00008   2.64090
   R44        2.05885   0.00011  -0.00002   0.00036   0.00034   2.05919
   R45        2.64188   0.00017   0.00002   0.00044   0.00045   2.64233
   R46        2.05908  -0.00002   0.00000  -0.00026  -0.00025   2.05883
   R47        2.64280   0.00004  -0.00004   0.00037   0.00033   2.64313
   R48        2.05632  -0.00001   0.00000   0.00000   0.00000   2.05632
   R49        2.64054   0.00005  -0.00001   0.00041   0.00040   2.64094
   R50        2.05864  -0.00001   0.00001  -0.00011  -0.00010   2.05854
   R51        2.05536   0.00004   0.00001   0.00024   0.00025   2.05561
   R52        2.89620   0.00012  -0.00051   0.00374   0.00323   2.89943
   R53        2.10304  -0.00040  -0.00018   0.00027   0.00009   2.10313
   R54        2.09400  -0.00056   0.00002  -0.00317  -0.00315   2.09084
   R55        2.73104   0.00011  -0.00016  -0.00107  -0.00124   2.72980
   R56        2.93802   0.00197   0.00049   0.00482   0.00531   2.94333
   R57        2.11182   0.00088   0.00011   0.00506   0.00518   2.11700
   R58        1.88157   0.00009   0.00033  -0.00012   0.00022   1.88178
   R59        2.90764  -0.00014  -0.00041  -0.00017  -0.00059   2.90705
   R60        2.82832   0.00138   0.00107  -0.00121  -0.00015   2.82817
   R61        2.12589  -0.00023  -0.00002  -0.00134  -0.00136   2.12454
   R62        2.84181   0.00011  -0.00027   0.00173   0.00147   2.84328
   R63        2.11478  -0.00018  -0.00012   0.00095   0.00083   2.11561
   R64        2.09562  -0.00004   0.00000  -0.00115  -0.00115   2.09447
   R65        2.65271   0.00012  -0.00016   0.00114   0.00098   2.65369
   R66        2.65039   0.00014   0.00000   0.00071   0.00071   2.65110
   R67        2.63917  -0.00009  -0.00004   0.00024   0.00020   2.63937
   R68        2.06135   0.00015   0.00007   0.00045   0.00052   2.06186
   R69        2.64382   0.00016   0.00000   0.00040   0.00040   2.64422
   R70        2.05767  -0.00005  -0.00001  -0.00031  -0.00032   2.05735
   R71        2.64182   0.00001   0.00003   0.00009   0.00013   2.64195
   R72        2.05513  -0.00001  -0.00001   0.00003   0.00002   2.05515
   R73        2.64203  -0.00006  -0.00004  -0.00031  -0.00035   2.64168
   R74        2.05662   0.00003   0.00001   0.00011   0.00012   2.05675
   R75        2.05307   0.00006   0.00001   0.00035   0.00036   2.05343
   R76        2.63994   0.00306   0.00192  -0.00269  -0.00076   2.63917
   R77        1.95414   0.00029   0.00067  -0.00208  -0.00141   1.95273
   R78        2.30492  -0.00076  -0.00067   0.00416   0.00349   2.30841
   R79        2.63814  -0.00325   0.00033  -0.00872  -0.00839   2.62974
   R80        2.77489  -0.00290  -0.00077  -0.00141  -0.00218   2.77271
   R81        2.79241  -0.00145  -0.00049   0.00119   0.00070   2.79311
   R82        2.08885   0.00069   0.00020  -0.00086  -0.00065   2.08820
   R83        2.09823  -0.00055  -0.00004  -0.00045  -0.00048   2.09775
   R84        2.58570  -0.00009   0.00006   0.00010   0.00020   2.58590
   R85        3.30183   0.00035  -0.00085   0.00564   0.00481   3.30664
   R86        2.66579   0.00060  -0.00018  -0.00031  -0.00049   2.66530
   R87        2.04952   0.00005   0.00002  -0.00010  -0.00008   2.04943
   R88        2.49421  -0.00022   0.00013   0.00033   0.00043   2.49463
   R89        3.33326  -0.00137  -0.00011  -0.00558  -0.00572   3.32754
   R90        2.05712  -0.00072  -0.00007  -0.00241  -0.00248   2.05464
   R91        2.89097  -0.00085   0.00099  -0.00786  -0.00687   2.88410
   R92        2.89031   0.00091  -0.00007   0.00154   0.00147   2.89178
   R93        2.12152   0.00014  -0.00018   0.00163   0.00145   2.12297
   R94        2.07736  -0.00027   0.00024  -0.00174  -0.00150   2.07586
   R95        2.08715  -0.00021  -0.00016  -0.00109  -0.00126   2.08590
   R96        2.06933   0.00065   0.00005   0.00117   0.00122   2.07055
   R97        2.07639  -0.00020  -0.00014   0.00029   0.00015   2.07654
   R98        2.07885   0.00011  -0.00015   0.00068   0.00053   2.07939
   R99        2.06855   0.00002  -0.00002   0.00024   0.00022   2.06877
   R100       3.28283  -0.00038  -0.00003  -0.00121  -0.00124   3.28159
   R101       2.03879  -0.00002  -0.00009   0.00009  -0.00001   2.03878
    A1        1.93404   0.00008   0.00003   0.00026   0.00029   1.93433
    A2        1.94517  -0.00003   0.00004  -0.00091  -0.00087   1.94430
    A3        1.96086  -0.00010   0.00000  -0.00125  -0.00125   1.95961
    A4        1.87457  -0.00003  -0.00004  -0.00110  -0.00113   1.87344
    A5        1.86988   0.00004   0.00002   0.00182   0.00183   1.87171
    A6        1.87518   0.00004  -0.00005   0.00130   0.00125   1.87643
    A7        1.95100   0.00011   0.00000   0.00030   0.00029   1.95129
    A8        1.92421   0.00004  -0.00002  -0.00079  -0.00081   1.92339
    A9        1.88877  -0.00006  -0.00009   0.00173   0.00164   1.89041
   A10        1.92994  -0.00017   0.00019  -0.00202  -0.00183   1.92810
   A11        1.88880   0.00003  -0.00007   0.00061   0.00054   1.88934
   A12        1.87886   0.00005  -0.00001   0.00030   0.00029   1.87915
   A13        1.96289  -0.00016   0.00003  -0.00128  -0.00125   1.96164
   A14        1.94486   0.00010   0.00007  -0.00009  -0.00001   1.94484
   A15        1.93447   0.00002  -0.00005   0.00012   0.00008   1.93454
   A16        1.87474   0.00002   0.00001   0.00012   0.00012   1.87486
   A17        1.86753   0.00009  -0.00002   0.00280   0.00278   1.87031
   A18        1.87506  -0.00007  -0.00004  -0.00160  -0.00164   1.87342
   A19        2.21061  -0.00003  -0.00009   0.00003  -0.00006   2.21054
   A20        2.11568   0.00012   0.00008   0.00095   0.00103   2.11671
   A21        1.95690  -0.00010   0.00001  -0.00096  -0.00097   1.95593
   A22        1.96206  -0.00014   0.00000  -0.00043  -0.00043   1.96162
   A23        2.04601  -0.00022   0.00005   0.00085   0.00089   2.04691
   A24        2.00959   0.00037  -0.00004   0.00218   0.00213   2.01172
   A25        2.22751  -0.00015   0.00000  -0.00301  -0.00301   2.22450
   A26        1.98417   0.00040  -0.00007  -0.00115  -0.00123   1.98294
   A27        1.91709  -0.00005  -0.00020  -0.00110  -0.00131   1.91578
   A28        1.92297  -0.00027  -0.00009   0.00087   0.00078   1.92375
   A29        1.92530  -0.00038   0.00016  -0.00481  -0.00465   1.92065
   A30        1.87600   0.00010  -0.00001   0.00403   0.00402   1.88002
   A31        1.83178   0.00018   0.00024   0.00258   0.00283   1.83460
   A32        1.98739  -0.00029   0.00045  -0.00343  -0.00298   1.98441
   A33        2.11377  -0.00016  -0.00004   0.00036   0.00033   2.11410
   A34        2.00389   0.00052   0.00000   0.00440   0.00441   2.00829
   A35        1.89546   0.00020  -0.00003   0.00174   0.00171   1.89718
   A36        1.92237   0.00007   0.00006   0.00014   0.00020   1.92257
   A37        1.96741   0.00000  -0.00001  -0.00034  -0.00035   1.96706
   A38        1.89169  -0.00023  -0.00002  -0.00227  -0.00229   1.88940
   A39        1.90061  -0.00013   0.00004  -0.00210  -0.00206   1.89854
   A40        1.88487   0.00007  -0.00004   0.00269   0.00265   1.88751
   A41        2.12743   0.00049  -0.00016   0.00192   0.00173   2.12916
   A42        2.04671  -0.00002  -0.00001   0.00257   0.00254   2.04925
   A43        2.10856  -0.00047   0.00021  -0.00498  -0.00479   2.10377
   A44        2.03536  -0.00085   0.00042  -0.00858  -0.00816   2.02721
   A45        2.06129   0.00060   0.00041   0.00260   0.00302   2.06430
   A46        1.98276   0.00012   0.00049   0.00232   0.00281   1.98558
   A47        1.92377  -0.00012  -0.00002  -0.00382  -0.00382   1.91995
   A48        1.90696   0.00021   0.00001  -0.00878  -0.00877   1.89819
   A49        1.88188  -0.00031   0.00002  -0.00608  -0.00603   1.87585
   A50        1.94398  -0.00141  -0.00027   0.00426   0.00394   1.94791
   A51        1.90911   0.00119  -0.00001   0.00831   0.00824   1.91736
   A52        1.89690   0.00047   0.00028   0.00590   0.00611   1.90301
   A53        2.14274  -0.00090  -0.00015  -0.00175  -0.00201   2.14073
   A54        2.02850   0.00204   0.00076   0.00369   0.00434   2.03284
   A55        2.11193  -0.00114  -0.00062  -0.00178  -0.00251   2.10942
   A56        2.12106  -0.00355  -0.00106   0.00180   0.00069   2.12176
   A57        2.11869   0.00186   0.00059   0.00023   0.00079   2.11947
   A58        2.03825   0.00152   0.00048  -0.00045  -0.00002   2.03823
   A59        1.90838   0.00230   0.00053   0.00036   0.00089   1.90928
   A60        1.93631  -0.00508   0.00030  -0.00376  -0.00346   1.93285
   A61        1.87360   0.00080  -0.00077   0.00236   0.00159   1.87520
   A62        1.95644   0.00313  -0.00005   0.00316   0.00312   1.95955
   A63        1.88556  -0.00111   0.00019  -0.00212  -0.00193   1.88363
   A64        1.90098  -0.00005  -0.00025   0.00002  -0.00023   1.90075
   A65        1.99696   0.00011   0.00028  -0.00087  -0.00059   1.99637
   A66        1.89416   0.00004  -0.00004   0.00091   0.00087   1.89503
   A67        1.89933  -0.00003   0.00001   0.00004   0.00005   1.89937
   A68        1.91917  -0.00007  -0.00010   0.00002  -0.00008   1.91909
   A69        1.92294  -0.00008  -0.00015  -0.00090  -0.00105   1.92189
   A70        1.82297   0.00002  -0.00003   0.00100   0.00097   1.82394
   A71        2.09359   0.00002  -0.00003  -0.00023  -0.00026   2.09333
   A72        2.10435   0.00000  -0.00001   0.00080   0.00079   2.10514
   A73        2.08522  -0.00001   0.00004  -0.00057  -0.00054   2.08468
   A74        2.09689   0.00004  -0.00002   0.00056   0.00054   2.09743
   A75        2.09792  -0.00005   0.00001  -0.00036  -0.00035   2.09757
   A76        2.08827   0.00001   0.00000  -0.00020  -0.00020   2.08808
   A77        2.09874  -0.00003   0.00000  -0.00022  -0.00022   2.09852
   A78        2.09056   0.00000   0.00001   0.00004   0.00005   2.09062
   A79        2.09388   0.00003  -0.00001   0.00017   0.00016   2.09404
   A80        2.08973  -0.00002   0.00000  -0.00006  -0.00006   2.08967
   A81        2.09713  -0.00001   0.00000  -0.00038  -0.00038   2.09675
   A82        2.09632   0.00003   0.00000   0.00044   0.00044   2.09676
   A83        2.09932  -0.00002   0.00000  -0.00005  -0.00005   2.09927
   A84        2.09292  -0.00001   0.00003  -0.00050  -0.00047   2.09245
   A85        2.09095   0.00003  -0.00002   0.00055   0.00052   2.09147
   A86        2.09643   0.00004  -0.00001   0.00034   0.00033   2.09676
   A87        2.09791  -0.00002   0.00001   0.00008   0.00010   2.09801
   A88        2.08883  -0.00002   0.00000  -0.00043  -0.00043   2.08840
   A89        1.95593  -0.00630   0.00015  -0.00318  -0.00304   1.95289
   A90        1.92958   0.00121  -0.00001  -0.00232  -0.00233   1.92725
   A91        1.90823   0.00255  -0.00022   0.00465   0.00443   1.91266
   A92        1.89390   0.00184  -0.00017  -0.00038  -0.00056   1.89334
   A93        1.93530   0.00214  -0.00003   0.00376   0.00372   1.93902
   A94        1.83734  -0.00106   0.00029  -0.00253  -0.00224   1.83510
   A95        1.88070   0.00014  -0.00054   0.00605   0.00552   1.88622
   A96        1.98846   0.00314   0.00032   0.01324   0.01356   2.00202
   A97        1.95228  -0.00178  -0.00005  -0.00684  -0.00687   1.94541
   A98        1.80134  -0.00152  -0.00005  -0.00612  -0.00624   1.79510
   A99        1.90172   0.00020  -0.00003  -0.00289  -0.00294   1.89879
   A100       1.93086  -0.00023   0.00030  -0.00360  -0.00330   1.92756
   A101       1.92242  -0.00056   0.00007  -0.00715  -0.00709   1.91533
   A102       1.93465   0.00196  -0.00003   0.00827   0.00824   1.94289
   A103       1.90097  -0.00303   0.00054  -0.01340  -0.01285   1.88812
   A104       1.91191   0.00024  -0.00011   0.00223   0.00212   1.91404
   A105       1.95234   0.00121   0.00024   0.00234   0.00261   1.95495
   A106       1.92292  -0.00129  -0.00038  -0.00436  -0.00476   1.91816
   A107       1.83842   0.00080  -0.00028   0.00458   0.00430   1.84272
   A108       1.94752  -0.00001  -0.00020   0.00102   0.00082   1.94835
   A109       1.92051   0.00007  -0.00016   0.00042   0.00026   1.92077
   A110       1.91790  -0.00018   0.00010  -0.00275  -0.00265   1.91525
   A111       1.91813   0.00017  -0.00020   0.00355   0.00335   1.92148
   A112       1.92796  -0.00008   0.00031  -0.00211  -0.00180   1.92616
   A113       1.82827   0.00004   0.00016  -0.00021  -0.00006   1.82821
   A114       2.08894   0.00073  -0.00019   0.00395   0.00376   2.09270
   A115       2.10361  -0.00055   0.00006  -0.00210  -0.00204   2.10157
   A116       2.09064  -0.00018   0.00013  -0.00185  -0.00172   2.08892
   A117       2.09417   0.00007  -0.00006   0.00094   0.00089   2.09506
   A118       2.08742   0.00012  -0.00004   0.00093   0.00089   2.08831
   A119       2.10157  -0.00019   0.00010  -0.00187  -0.00177   2.09979
   A120       2.09811   0.00003   0.00001  -0.00009  -0.00008   2.09803
   A121       2.09141  -0.00002  -0.00006   0.00055   0.00048   2.09190
   A122       2.09366  -0.00001   0.00006  -0.00046  -0.00040   2.09326
   A123       2.09146  -0.00003   0.00002  -0.00026  -0.00024   2.09123
   A124       2.09549   0.00001   0.00002   0.00000   0.00002   2.09551
   A125       2.09623   0.00002  -0.00004   0.00025   0.00021   2.09645
   A126       2.09891  -0.00004  -0.00003  -0.00001  -0.00005   2.09887
   A127       2.09318   0.00003  -0.00001  -0.00010  -0.00011   2.09307
   A128       2.09109   0.00001   0.00004   0.00011   0.00015   2.09124
   A129       2.09307   0.00015  -0.00006   0.00127   0.00121   2.09427
   A130       2.09971  -0.00012   0.00003  -0.00192  -0.00189   2.09781
   A131       2.09041  -0.00004   0.00003   0.00065   0.00069   2.09110
   A132       2.06077  -0.00040   0.00138   0.00104   0.00227   2.06305
   A133       1.95554  -0.00071   0.00011   0.00648   0.00641   1.96195
   A134       1.99696   0.00110   0.00014   0.01400   0.01399   2.01095
   A135       2.25839   0.00046   0.00047  -0.00500  -0.00458   2.25381
   A136       1.90167   0.00105  -0.00005   0.00723   0.00713   1.90881
   A137       2.12175  -0.00145  -0.00047  -0.00127  -0.00179   2.11995
   A138       2.00550  -0.00171  -0.00119   0.00763   0.00644   2.01194
   A139       1.89627   0.00036  -0.00177   0.02158   0.01980   1.91608
   A140       1.77632  -0.00077   0.00145  -0.01484  -0.01338   1.76294
   A141       1.88985   0.00020  -0.00031  -0.00113  -0.00148   1.88837
   A142       1.99025   0.00143   0.00085  -0.00375  -0.00286   1.98739
   A143       1.97501  -0.00152  -0.00041  -0.00219  -0.00263   1.97238
   A144       1.92298   0.00037   0.00024  -0.00009   0.00012   1.92310
   A145       2.28274   0.00247  -0.00078   0.01018   0.00916   2.29190
   A146       2.07889  -0.00210   0.00066  -0.00421  -0.00380   2.07510
   A147       1.91723  -0.00029   0.00004  -0.00271  -0.00277   1.91446
   A148       2.00962   0.00005  -0.00003   0.00225   0.00227   2.01189
   A149       2.21972   0.00004  -0.00030  -0.00100  -0.00136   2.21836
   A150       2.05383  -0.00010   0.00032  -0.00131  -0.00105   2.05278
   A151       1.95087  -0.00046  -0.00003  -0.00259  -0.00260   1.94826
   A152       1.97697   0.00059  -0.00019   0.00332   0.00307   1.98004
   A153       2.18201   0.00038  -0.00003   0.00086   0.00079   2.18279
   A154       2.12231  -0.00091   0.00017  -0.00307  -0.00295   2.11936
   A155       1.56995   0.00011   0.00019  -0.00039  -0.00014   1.56981
   A156       1.97264  -0.00170  -0.00012  -0.00902  -0.00914   1.96350
   A157       1.92425   0.00118   0.00036   0.00519   0.00554   1.92979
   A158       1.85202   0.00016  -0.00024   0.00049   0.00023   1.85224
   A159       1.93305   0.00002   0.00033   0.00007   0.00041   1.93346
   A160       1.88563   0.00088   0.00032   0.00066   0.00097   1.88660
   A161       1.89246  -0.00051  -0.00071   0.00300   0.00228   1.89475
   A162       1.95707  -0.00022  -0.00042  -0.00191  -0.00232   1.95475
   A163       1.96758  -0.00134   0.00022  -0.00756  -0.00734   1.96025
   A164       1.93973   0.00064   0.00037   0.00030   0.00067   1.94039
   A165       1.84589   0.00101  -0.00033   0.01072   0.01038   1.85627
   A166       1.87332  -0.00029   0.00035  -0.00201  -0.00167   1.87165
   A167       1.87436   0.00026  -0.00020   0.00119   0.00098   1.87534
   A168       1.93062   0.00011  -0.00017   0.00150   0.00133   1.93195
   A169       1.96553   0.00008   0.00004   0.00009   0.00012   1.96565
   A170       1.96013   0.00027   0.00007   0.00112   0.00119   1.96132
   A171       1.84930  -0.00004  -0.00004   0.00165   0.00161   1.85090
   A172       1.86359  -0.00024  -0.00003  -0.00314  -0.00317   1.86042
   A173       1.88848  -0.00022   0.00013  -0.00140  -0.00127   1.88721
   A174       1.91750  -0.00018   0.00004  -0.00173  -0.00170   1.91581
   A175       2.24125  -0.00017  -0.00013  -0.00148  -0.00161   2.23964
   A176       2.12442   0.00036   0.00009   0.00319   0.00328   2.12770
   A177       1.57872   0.00005  -0.00001   0.00092   0.00090   1.57963
    D1        1.11011   0.00005   0.00028   0.00571   0.00599   1.11610
    D2       -3.01889  -0.00006   0.00051   0.00274   0.00325  -3.01564
    D3       -0.96822  -0.00002   0.00043   0.00367   0.00410  -0.96412
    D4       -3.08656   0.00004   0.00027   0.00390   0.00418  -3.08238
    D5       -0.93237  -0.00007   0.00050   0.00093   0.00144  -0.93093
    D6        1.11830  -0.00002   0.00042   0.00187   0.00229   1.12059
    D7       -0.98093   0.00000   0.00024   0.00406   0.00430  -0.97663
    D8        1.17326  -0.00011   0.00047   0.00109   0.00155   1.17481
    D9       -3.05926  -0.00006   0.00039   0.00202   0.00241  -3.05685
   D10        1.01256   0.00000   0.00012  -0.00426  -0.00414   1.00842
   D11        3.11882  -0.00001   0.00020  -0.00507  -0.00487   3.11395
   D12       -1.07715  -0.00003   0.00017  -0.00706  -0.00689  -1.08405
   D13       -1.13839   0.00000   0.00001  -0.00198  -0.00197  -1.14036
   D14        0.96787  -0.00002   0.00009  -0.00279  -0.00270   0.96517
   D15        3.05508  -0.00003   0.00006  -0.00478  -0.00472   3.05036
   D16        3.09087   0.00001  -0.00004  -0.00157  -0.00160   3.08927
   D17       -1.08605   0.00000   0.00004  -0.00237  -0.00233  -1.08839
   D18        1.00116  -0.00002   0.00001  -0.00436  -0.00436   0.99680
   D19        2.03089   0.00000  -0.00009  -0.00597  -0.00606   2.02483
   D20       -1.10844  -0.00003   0.00040  -0.01354  -0.01315  -1.12158
   D21       -2.08591   0.00006   0.00002  -0.00757  -0.00754  -2.09345
   D22        1.05795   0.00002   0.00052  -0.01514  -0.01463   1.04332
   D23       -0.02589   0.00003   0.00003  -0.00778  -0.00774  -0.03364
   D24        3.11797  -0.00001   0.00053  -0.01536  -0.01483   3.10313
   D25       -3.13734   0.00004   0.00009   0.00137   0.00146  -3.13588
   D26        0.00216   0.00008  -0.00036   0.00837   0.00800   0.01016
   D27        3.13685  -0.00002  -0.00001  -0.00146  -0.00147   3.13538
   D28       -0.00278  -0.00005   0.00042  -0.00802  -0.00761  -0.01038
   D29        3.12980  -0.00005   0.00001  -0.00348  -0.00348   3.12632
   D30       -0.00015  -0.00008   0.00010  -0.00445  -0.00436  -0.00451
   D31        2.08655   0.00006   0.00105  -0.02894  -0.02789   2.05866
   D32       -2.02994  -0.00019   0.00105  -0.03696  -0.03591  -2.06585
   D33       -0.02034  -0.00015   0.00118  -0.03398  -0.03280  -0.05315
   D34       -1.06835   0.00009   0.00095  -0.02779  -0.02684  -1.09519
   D35        1.09835  -0.00016   0.00095  -0.03581  -0.03486   1.06349
   D36        3.10794  -0.00012   0.00108  -0.03283  -0.03176   3.07619
   D37       -0.00196   0.00004   0.00022  -0.00177  -0.00154  -0.00350
   D38       -3.13821  -0.00003  -0.00018   0.00221   0.00203  -3.13618
   D39       -3.13048   0.00001   0.00032  -0.00289  -0.00256  -3.13304
   D40        0.01645  -0.00005  -0.00008   0.00109   0.00101   0.01746
   D41       -1.21192  -0.00019  -0.00036  -0.00980  -0.01016  -1.22208
   D42        1.29129   0.00010   0.00032  -0.00619  -0.00588   1.28541
   D43        2.90902  -0.00012  -0.00017  -0.00376  -0.00394   2.90508
   D44       -0.87096   0.00017   0.00051  -0.00015   0.00035  -0.87061
   D45        0.92116  -0.00020  -0.00053  -0.00656  -0.00708   0.91407
   D46       -2.85882   0.00009   0.00015  -0.00295  -0.00280  -2.86162
   D47       -1.17027   0.00000   0.00025  -0.00736  -0.00711  -1.17738
   D48        3.04380   0.00011   0.00026  -0.00573  -0.00548   3.03833
   D49        0.93738  -0.00002   0.00027  -0.00903  -0.00876   0.92862
   D50        2.56824  -0.00004  -0.00035  -0.00943  -0.00979   2.55845
   D51        0.49913   0.00008  -0.00035  -0.00781  -0.00815   0.49097
   D52       -1.60730  -0.00006  -0.00034  -0.01110  -0.01144  -1.61873
   D53       -2.77107  -0.00022   0.00146  -0.00515  -0.00371  -2.77478
   D54        0.40371   0.00002  -0.00074   0.01185   0.01112   0.41483
   D55       -0.27344  -0.00021   0.00230  -0.00417  -0.00188  -0.27532
   D56        2.90135   0.00004   0.00010   0.01283   0.01295   2.91430
   D57        2.84143  -0.00040   0.00249  -0.01267  -0.01018   2.83126
   D58        0.38334  -0.00024   0.00034  -0.00817  -0.00781   0.37553
   D59       -0.26734  -0.00017   0.00032   0.00399   0.00429  -0.26305
   D60       -2.72544  -0.00001  -0.00183   0.00850   0.00666  -2.71878
   D61       -1.45181  -0.00086  -0.00164   0.02301   0.02139  -1.43042
   D62        2.68980   0.00083  -0.00130   0.02599   0.02469   2.71449
   D63        0.63106   0.00033  -0.00165   0.02721   0.02555   0.65661
   D64        1.03635  -0.00080   0.00038   0.01906   0.01946   1.05581
   D65       -1.10523   0.00089   0.00072   0.02204   0.02276  -1.08247
   D66        3.11923   0.00039   0.00037   0.02326   0.02362  -3.14034
   D67       -0.55225   0.00002   0.00063  -0.02322  -0.02259  -0.57484
   D68        2.58272   0.00183  -0.00008   0.00501   0.00493   2.58765
   D69        1.56746  -0.00073   0.00045  -0.03409  -0.03366   1.53380
   D70       -1.58076   0.00108  -0.00026  -0.00586  -0.00613  -1.58689
   D71       -2.61849  -0.00025   0.00062  -0.01856  -0.01793  -2.63641
   D72        0.51648   0.00156  -0.00009   0.00967   0.00959   0.52608
   D73        1.08266   0.00042  -0.00097   0.01240   0.01145   1.09411
   D74       -3.02660   0.00009  -0.00035   0.00981   0.00946  -3.01714
   D75       -0.98080   0.00019  -0.00114   0.01630   0.01517  -0.96564
   D76       -1.04680   0.00134  -0.00078   0.02038   0.01962  -1.02718
   D77        1.12712   0.00102  -0.00016   0.01779   0.01764   1.14475
   D78       -3.11027   0.00111  -0.00095   0.02428   0.02334  -3.08693
   D79        3.13195   0.00043  -0.00077   0.00354   0.00275   3.13470
   D80       -0.97731   0.00010  -0.00016   0.00095   0.00077  -0.97654
   D81        1.06848   0.00020  -0.00094   0.00744   0.00647   1.07496
   D82        3.09099  -0.00221   0.00039  -0.00477  -0.00438   3.08661
   D83        0.06219  -0.00050   0.00029  -0.02184  -0.02155   0.04065
   D84       -0.05710  -0.00044  -0.00031   0.02293   0.02262  -0.03449
   D85       -3.08590   0.00128  -0.00041   0.00586   0.00545  -3.08045
   D86        2.57215   0.00105   0.00165   0.00038   0.00203   2.57418
   D87       -1.54441   0.00316   0.00217   0.00207   0.00424  -1.54017
   D88        0.53076   0.00070   0.00157   0.00140   0.00297   0.53372
   D89       -0.67728  -0.00055   0.00175   0.01673   0.01848  -0.65880
   D90        1.48934   0.00157   0.00227   0.01842   0.02069   1.51004
   D91       -2.71867  -0.00090   0.00167   0.01775   0.01942  -2.69926
   D92        1.04208  -0.00139   0.00050  -0.00649  -0.00599   1.03609
   D93       -1.10813  -0.00141   0.00047  -0.00660  -0.00613  -1.11426
   D94       -3.08201  -0.00144   0.00051  -0.00826  -0.00775  -3.08975
   D95       -1.11269   0.00130  -0.00023  -0.00411  -0.00434  -1.11703
   D96        3.02029   0.00128  -0.00027  -0.00421  -0.00449   3.01580
   D97        1.04641   0.00126  -0.00023  -0.00587  -0.00610   1.04031
   D98        3.07591   0.00018  -0.00002  -0.00467  -0.00469   3.07122
   D99        0.92570   0.00016  -0.00005  -0.00478  -0.00483   0.92086
   D100      -1.04818   0.00013  -0.00001  -0.00644  -0.00645  -1.05463
   D101       1.26801  -0.00191  -0.00109  -0.01994  -0.02103   1.24698
   D102      -0.84721  -0.00079  -0.00097  -0.01566  -0.01663  -0.86384
   D103      -2.86216  -0.00168  -0.00119  -0.01399  -0.01518  -2.87734
   D104      -2.87618  -0.00038  -0.00022  -0.01996  -0.02018  -2.89635
   D105       1.29179   0.00073  -0.00009  -0.01568  -0.01578   1.27601
   D106      -0.72316  -0.00016  -0.00031  -0.01401  -0.01432  -0.73748
   D107      -0.79059   0.00015  -0.00018  -0.02062  -0.02079  -0.81139
   D108      -2.90581   0.00127  -0.00005  -0.01634  -0.01639  -2.92221
   D109       1.36242   0.00038  -0.00027  -0.01467  -0.01494   1.34748
   D110      -1.66447  -0.00003  -0.00027  -0.00895  -0.00922  -1.67369
   D111       1.48604  -0.00002  -0.00020  -0.00871  -0.00891   1.47713
   D112       0.47220   0.00005  -0.00020  -0.00837  -0.00857   0.46363
   D113      -2.66048   0.00006  -0.00012  -0.00813  -0.00825  -2.66873
   D114       2.47233  -0.00001  -0.00037  -0.00766  -0.00803   2.46430
   D115      -0.66035   0.00000  -0.00030  -0.00742  -0.00772  -0.66807
   D116       3.14066   0.00000  -0.00002   0.00064   0.00062   3.14128
   D117      -0.01617  -0.00001   0.00003   0.00034   0.00037  -0.01580
   D118      -0.00974  -0.00001  -0.00009   0.00041   0.00031  -0.00943
   D119       3.11661  -0.00002  -0.00004   0.00011   0.00007   3.11668
   D120      -3.14014   0.00000  -0.00001  -0.00035  -0.00037  -3.14050
   D121       0.00778   0.00001  -0.00001  -0.00018  -0.00019   0.00760
   D122       0.01033   0.00001   0.00006  -0.00012  -0.00006   0.01027
   D123      -3.12494   0.00002   0.00007   0.00006   0.00012  -3.12482
   D124       0.00179   0.00000   0.00007  -0.00038  -0.00031   0.00148
   D125       3.13909  -0.00001   0.00011  -0.00098  -0.00087   3.13823
   D126      -3.12464   0.00001   0.00001  -0.00008  -0.00007  -3.12471
   D127       0.01266   0.00000   0.00005  -0.00068  -0.00062   0.01204
   D128       0.00562   0.00000  -0.00001   0.00007   0.00006   0.00568
   D129      -3.14131  -0.00001   0.00005  -0.00065  -0.00060   3.14128
   D130      -3.13167   0.00002  -0.00005   0.00066   0.00061  -3.13106
   D131       0.00458   0.00000   0.00001  -0.00005  -0.00004   0.00454
   D132      -0.00504   0.00000  -0.00002   0.00022   0.00020  -0.00484
   D133       3.13396  -0.00001   0.00000   0.00003   0.00002   3.13398
   D134      -3.14129   0.00001  -0.00008   0.00094   0.00086  -3.14043
   D135      -0.00230   0.00001  -0.00006   0.00074   0.00069  -0.00161
   D136      -0.00297   0.00000   0.00000  -0.00020  -0.00020  -0.00317
   D137       3.13233  -0.00001  -0.00001  -0.00037  -0.00038   3.13195
   D138       3.14122   0.00000  -0.00003   0.00000  -0.00003   3.14119
   D139      -0.00667  -0.00001  -0.00003  -0.00017  -0.00020  -0.00687
   D140      -1.80044   0.00122   0.00046  -0.01604  -0.01556  -1.81601
   D141       2.49539   0.00126   0.00068  -0.01958  -0.01893   2.47646
   D142       0.28940   0.00049   0.00005  -0.01979  -0.01974   0.26965
   D143       0.33521  -0.00010   0.00042  -0.02130  -0.02085   0.31436
   D144      -1.65213  -0.00005   0.00065  -0.02484  -0.02422  -1.67636
   D145       2.42505  -0.00083   0.00001  -0.02505  -0.02503   2.40002
   D146       2.34504   0.00086   0.00065  -0.02250  -0.02183   2.32321
   D147       0.35769   0.00091   0.00088  -0.02605  -0.02520   0.33249
   D148      -1.84831   0.00013   0.00024  -0.02625  -0.02601  -1.87432
   D149       1.69463  -0.00133  -0.00067   0.00966   0.00899   1.70362
   D150      -2.47949   0.00156  -0.00058   0.02453   0.02393  -2.45556
   D151      -0.42697   0.00061  -0.00028   0.01599   0.01572  -0.41125
   D152      -1.16750   0.00080   0.00068   0.03029   0.03094  -1.13656
   D153       2.96048   0.00005   0.00002   0.03102   0.03104   2.99152
   D154       0.95813   0.00063   0.00011   0.03171   0.03181   0.98994
   D155       3.08161   0.00004   0.00120   0.02039   0.02159   3.10320
   D156       0.92641  -0.00071   0.00054   0.02112   0.02168   0.94810
   D157      -1.07594  -0.00014   0.00063   0.02182   0.02246  -1.05348
   D158       1.04966   0.00073   0.00112   0.02865   0.02976   1.07942
   D159      -1.10554  -0.00003   0.00046   0.02938   0.02985  -1.07569
   D160      -3.10790   0.00055   0.00055   0.03008   0.03063  -3.07727
   D161       2.94956   0.00067  -0.00026   0.01401   0.01375   2.96330
   D162      -1.19959   0.00092  -0.00075   0.01952   0.01876  -1.18083
   D163       0.80483   0.00091  -0.00060   0.01794   0.01734   0.82217
   D164      -1.20826  -0.00098   0.00059   0.00431   0.00490  -1.20336
   D165       0.92578  -0.00073   0.00010   0.00982   0.00992   0.93570
   D166       2.93020  -0.00074   0.00025   0.00824   0.00849   2.93869
   D167       0.83039  -0.00006   0.00015   0.00865   0.00881   0.83919
   D168       2.96442   0.00019  -0.00034   0.01416   0.01383   2.97825
   D169      -1.31434   0.00018  -0.00019   0.01258   0.01240  -1.30194
   D170       1.12026   0.00102   0.00224   0.00439   0.00664   1.12689
   D171      -1.25639   0.00056   0.00027  -0.02704  -0.02677  -1.28316
   D172      -1.02436  -0.00016   0.00173   0.00172   0.00346  -1.02090
   D173       2.88217  -0.00062  -0.00023  -0.02971  -0.02995   2.85223
   D174      -3.11338   0.00025   0.00223   0.00288   0.00511  -3.10827
   D175       0.79315  -0.00021   0.00026  -0.02855  -0.02829   0.76486
   D176       1.64400   0.00018  -0.00038  -0.00032  -0.00070   1.64330
   D177      -1.49921   0.00017  -0.00027  -0.00141  -0.00168  -1.50089
   D178      -0.49141  -0.00002   0.00009  -0.00403  -0.00394  -0.49535
   D179       2.64856  -0.00003   0.00020  -0.00512  -0.00492   2.64365
   D180      -2.50021  -0.00011  -0.00017  -0.00462  -0.00479  -2.50500
   D181       0.63976  -0.00013  -0.00005  -0.00571  -0.00576   0.63400
   D182       3.13647   0.00000   0.00004   0.00016   0.00020   3.13666
   D183      -0.01297   0.00000  -0.00012   0.00030   0.00018  -0.01280
   D184      -0.00352   0.00002  -0.00007   0.00124   0.00117  -0.00236
   D185       3.13022   0.00002  -0.00023   0.00138   0.00115   3.13137
   D186      -3.13622   0.00000  -0.00001  -0.00002  -0.00003  -3.13625
   D187       0.00509   0.00001  -0.00004   0.00056   0.00052   0.00562
   D188       0.00375  -0.00001   0.00010  -0.00110  -0.00100   0.00275
   D189      -3.13812   0.00000   0.00008  -0.00052  -0.00044  -3.13856
   D190       0.00057  -0.00001  -0.00001  -0.00053  -0.00054   0.00003
   D191       3.14118  -0.00001  -0.00006  -0.00069  -0.00075   3.14042
   D192      -3.13311  -0.00001   0.00015  -0.00068  -0.00054  -3.13365
   D193       0.00750  -0.00001   0.00009  -0.00084  -0.00075   0.00675
   D194       0.00215   0.00000   0.00007  -0.00031  -0.00024   0.00191
   D195      -3.14022  -0.00001  -0.00002  -0.00027  -0.00028  -3.14050
   D196      -3.13845   0.00000   0.00012  -0.00015  -0.00003  -3.13849
   D197       0.00236   0.00000   0.00004  -0.00011  -0.00007   0.00229
   D198      -0.00192   0.00001  -0.00004   0.00045   0.00041  -0.00151
   D199       3.13983   0.00000  -0.00006  -0.00009  -0.00015   3.13968
   D200       3.14045   0.00001   0.00004   0.00040   0.00045   3.14090
   D201      -0.00098   0.00000   0.00002  -0.00013  -0.00011  -0.00109
   D202      -0.00104   0.00000  -0.00004   0.00026   0.00021  -0.00082
   D203       3.14083  -0.00001  -0.00002  -0.00032  -0.00034   3.14049
   D204       3.14040   0.00001  -0.00002   0.00079   0.00077   3.14117
   D205      -0.00092   0.00000   0.00000   0.00021   0.00022  -0.00070
   D206       0.60629   0.00048   0.00182  -0.01324  -0.01146   0.59483
   D207      -2.59187   0.00193   0.00083   0.00651   0.00728  -2.58458
   D208       2.96558   0.00017   0.00384   0.01560   0.01949   2.98507
   D209      -0.23258   0.00163   0.00284   0.03535   0.03824  -0.19434
   D210       3.06498   0.00080   0.00170  -0.00180  -0.00011   3.06487
   D211      -0.12791   0.00218   0.00084   0.01594   0.01679  -0.11112
   D212      -1.20667   0.00315   0.00102   0.04421   0.04518  -1.16149
   D213       2.97120   0.00176   0.00010   0.04661   0.04676   3.01797
   D214       0.94486   0.00164  -0.00073   0.05413   0.05340   0.99826
   D215      -1.86450  -0.00077   0.00898  -0.16068  -0.15171  -2.01621
   D216       1.16617   0.00007   0.00807  -0.11926  -0.11117   1.05500
   D217       0.10293  -0.00071   0.01011  -0.16747  -0.15738  -0.05445
   D218       3.13360   0.00013   0.00919  -0.12605  -0.11684   3.01676
   D219       2.31917  -0.00030   0.01083  -0.17279  -0.16199   2.15718
   D220      -0.93335   0.00055   0.00992  -0.13137  -0.12145  -1.05480
   D221       3.05215   0.00090   0.00045   0.03969   0.04024   3.09239
   D222      -0.09528   0.00044  -0.00068   0.02758   0.02695  -0.06834
   D223       0.01357   0.00022   0.00126   0.00140   0.00267   0.01624
   D224      -3.13387  -0.00023   0.00013  -0.01072  -0.01062   3.13870
   D225      -3.06672  -0.00105   0.00015  -0.03973  -0.03936  -3.10608
   D226      -0.01435  -0.00017  -0.00065  -0.00559  -0.00626  -0.02062
   D227      -0.00415  -0.00016  -0.00136   0.00548   0.00410  -0.00006
   D228      -3.14049   0.00025  -0.00035   0.01638   0.01606  -3.12443
   D229      -0.00742   0.00002   0.00081  -0.00984  -0.00906  -0.01648
   D230      -3.08342  -0.00083   0.00174  -0.02887  -0.02714  -3.11055
   D231       0.01275   0.00009  -0.00010   0.00910   0.00904   0.02180
   D232       3.09128   0.00096  -0.00101   0.02755   0.02654   3.11781
   D233      -1.13202   0.00026   0.00223   0.00702   0.00926  -1.12276
   D234       0.94899   0.00047   0.00166   0.01421   0.01587   0.96486
   D235       3.05438   0.00033   0.00182   0.01069   0.01251   3.06689
   D236       2.98205  -0.00004   0.00160   0.00687   0.00847   2.99051
   D237      -1.22013   0.00017   0.00102   0.01406   0.01508  -1.20505
   D238       0.88526   0.00003   0.00118   0.01054   0.01172   0.89697
   D239       0.91175   0.00003   0.00207   0.00278   0.00486   0.91661
   D240       2.99276   0.00024   0.00150   0.00998   0.01147   3.00423
   D241      -1.18504   0.00010   0.00165   0.00645   0.00811  -1.17693
   D242       2.97751   0.00056  -0.00017  -0.00483  -0.00500   2.97252
   D243      -1.24000   0.00063  -0.00032  -0.00167  -0.00198  -1.24198
   D244       0.89729   0.00062  -0.00006  -0.00260  -0.00266   0.89463
   D245      -1.10920  -0.00077   0.00017  -0.01264  -0.01247  -1.12166
   D246       0.95647  -0.00069   0.00003  -0.00948  -0.00945   0.94702
   D247       3.09377  -0.00071   0.00028  -0.01042  -0.01013   3.08363
   D248       0.95695   0.00001   0.00032  -0.00996  -0.00964   0.94731
   D249       3.02262   0.00008   0.00018  -0.00680  -0.00663   3.01599
   D250      -1.12327   0.00006   0.00043  -0.00774  -0.00731  -1.13058
   D251       0.00257   0.00000  -0.00035   0.00525   0.00490   0.00747
   D252       3.13925   0.00006   0.00002   0.00156   0.00158   3.14083
         Item               Value     Threshold  Converged?
 Maximum Force            0.006304     0.000450     NO 
 RMS     Force            0.000851     0.000300     NO 
 Maximum Displacement     0.509916     0.001800     NO 
 RMS     Displacement     0.090243     0.001200     NO 
 Predicted change in Energy=-9.351463D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.612456   -2.096181    1.176684
      2          6           0       -9.256922   -1.188825   -0.005133
      3          6           0      -10.158486    0.047778   -0.064129
      4          6           0       -7.818100   -0.784485    0.068384
      5          7           0       -6.875564   -1.086301   -0.791048
      6          6           0       -5.613804   -0.549847   -0.420809
      7          6           0       -4.448642   -0.846930   -1.320737
      8          7           0       -3.841547    0.364055   -1.926518
      9          6           0       -4.704831    1.019333   -2.948142
     10          6           0       -3.044414    1.250287   -1.154472
     11          8           0       -2.849269    2.411526   -1.494492
     12          7           0       -2.420776    0.723125    0.014170
     13          6           0       -1.298619    1.511049    0.565305
     14          6           0       -0.001839    1.194662   -0.207793
     15          8           0        0.233796    0.085680   -0.681576
     16          7           0        0.914944    2.227656   -0.325662
     17          6           0        2.235100    2.027684   -0.989042
     18          6           0        2.659426    3.336371   -1.692115
     19          6           0        2.789378    4.520575   -0.773954
     20          6           0        1.719361    5.419077   -0.633271
     21          6           0        1.834643    6.520788    0.218759
     22          6           0        3.016053    6.736473    0.934920
     23          6           0        4.086735    5.848167    0.790432
     24          6           0        3.977381    4.745339   -0.060970
     25          6           0        3.289932    1.541128    0.027837
     26          6           0        3.039245    0.091244    0.462700
     27          8           0        2.468007    0.113678    1.789315
     28          6           0        4.327498   -0.762867    0.654627
     29          6           0        5.072183   -0.958824   -0.677119
     30          6           0        6.433327   -1.564773   -0.467540
     31          6           0        6.602387   -2.955685   -0.561138
     32          6           0        7.865776   -3.520650   -0.372939
     33          6           0        8.966921   -2.704711   -0.090720
     34          6           0        8.799707   -1.319996    0.005069
     35          6           0        7.537788   -0.748304   -0.181745
     36          7           0        3.934987   -2.067074    1.274948
     37          6           0        3.115904   -2.927335    0.540431
     38          8           0        3.080426   -3.115003   -0.666102
     39          8           0        2.302092   -3.645365    1.411461
     40          6           0        1.314452   -4.519694    0.768844
     41          6           0        0.314609   -3.701814    0.050496
     42          6           0       -1.029879   -3.540007    0.247182
     43          7           0       -1.657184   -2.614696   -0.612797
     44          6           0       -0.797905   -2.075809   -1.457732
     45         16           0        0.852723   -2.648782   -1.239216
     46          6           0       -1.155995    1.186536    2.081137
     47          6           0       -0.811403   -0.278436    2.334907
     48          6           0       -0.123007    2.108079    2.733362
     49          6           0       -5.605529    0.174350    0.736129
     50         16           0       -7.203903    0.217308    1.413571
     51          1           0      -10.625171   -2.501568    1.066105
     52          1           0       -8.924929   -2.948565    1.248097
     53          1           0       -9.578365   -1.563724    2.134428
     54          1           0       -9.399342   -1.775550   -0.957738
     55          1           0      -10.112440    0.642538    0.855772
     56          1           0       -9.880544    0.707383   -0.896164
     57          1           0      -11.206360   -0.240028   -0.211234
     58          1           0       -3.671772   -1.424852   -0.756588
     59          1           0       -4.766689   -1.523024   -2.155733
     60          1           0       -4.789980    0.350595   -3.820421
     61          1           0       -4.245530    1.969367   -3.283037
     62          1           0       -5.716652    1.241327   -2.571069
     63          1           0       -2.281974   -0.299008    0.076224
     64          1           0       -1.559899    2.603112    0.445448
     65          1           0        0.752174    3.134712    0.108741
     66          1           0        2.098663    1.234727   -1.782937
     67          1           0        1.925322    3.559764   -2.498784
     68          1           0        3.616297    3.161474   -2.227538
     69          1           0        0.800069    5.269071   -1.198776
     70          1           0        1.001670    7.215584    0.320693
     71          1           0        3.104130    7.595020    1.597666
     72          1           0        5.010875    6.017668    1.341682
     73          1           0        4.819555    4.065968   -0.172619
     74          1           0        3.282991    2.187395    0.933876
     75          1           0        4.302249    1.658326   -0.403043
     76          1           0        2.325900   -0.426575   -0.228676
     77          1           0        1.477318    0.031995    1.730350
     78          1           0        5.003977   -0.264636    1.401683
     79          1           0        4.466486   -1.602184   -1.364555
     80          1           0        5.159428    0.012587   -1.203599
     81          1           0        5.741246   -3.591002   -0.773947
     82          1           0        7.993285   -4.599452   -0.445092
     83          1           0        9.949800   -3.147019    0.054391
     84          1           0        9.654690   -0.683876    0.226275
     85          1           0        7.415866    0.328704   -0.104640
     86          1           0        3.688005   -1.969831    2.273616
     87          1           0        0.906993   -5.056978    1.644279
     88          1           0        1.856155   -5.225068    0.104552
     89          1           0       -1.651531   -4.053913    0.972178
     90          1           0       -1.041377   -1.316782   -2.197160
     91          1           0       -2.160204    1.393367    2.540347
     92          1           0       -1.615254   -0.952605    2.009304
     93          1           0        0.097608   -0.594831    1.794549
     94          1           0       -0.642001   -0.466264    3.401001
     95          1           0       -0.143176    2.001529    3.826856
     96          1           0        0.907003    1.875343    2.423983
     97          1           0       -0.312674    3.164671    2.518634
     98          1           0       -4.773292    0.674714    1.206229
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0807075      0.0290750      0.0233409
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3660.8033315518 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.257458006952     A.U. after   18 cycles
             Convg  =    0.9692D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000059751    0.000191152   -0.000057832
      2        6          -0.000071279   -0.000119015   -0.000073215
      3        6           0.000027424    0.000125571   -0.000291233
      4        6           0.000321649   -0.000440510   -0.000313093
      5        7          -0.000101640    0.000134137    0.000178019
      6        6           0.000297348    0.000539326   -0.000055588
      7        6           0.000040900   -0.000029650   -0.000017753
      8        7           0.000675021   -0.000365322   -0.000714615
      9        6           0.000065193   -0.000236892   -0.000330319
     10        6          -0.000617957    0.001762923   -0.000468367
     11        8           0.000517219   -0.000801282   -0.000768378
     12        7           0.000936896    0.002180061    0.000947669
     13        6          -0.000090133   -0.001286464   -0.000604266
     14        6          -0.001173393   -0.001532819    0.000491080
     15        8          -0.000638834    0.001538087    0.000120883
     16        7           0.000086674    0.000120689    0.000457574
     17        6           0.000404583    0.000586988   -0.000045798
     18        6          -0.000082094   -0.000222795   -0.000018533
     19        6          -0.000000563   -0.000217170   -0.000118248
     20        6          -0.000087680   -0.000113759    0.000029288
     21        6          -0.000148229    0.000157915    0.000011905
     22        6          -0.000134766    0.000075157    0.000002341
     23        6           0.000188219    0.000084344   -0.000062709
     24        6           0.000094913    0.000006196   -0.000067227
     25        6           0.000510407    0.000246659    0.001294702
     26        6          -0.000092154   -0.000793579   -0.001151997
     27        8           0.000221390   -0.000688737   -0.000547783
     28        6          -0.000867579   -0.000385580   -0.001263393
     29        6          -0.000348279    0.000107140    0.000452186
     30        6           0.000075743    0.000653824    0.000287003
     31        6           0.000190828   -0.000454352   -0.000195533
     32        6           0.000209730   -0.000132625   -0.000120149
     33        6           0.000040730    0.000017969   -0.000015398
     34        6          -0.000017948    0.000007821    0.000030089
     35        6           0.000256948    0.000091940   -0.000000505
     36        7          -0.000232870    0.000261644    0.001249339
     37        6           0.001478985    0.000304546    0.000942612
     38        8          -0.001036566   -0.000103756    0.000137442
     39        8           0.000048597    0.001599936   -0.001072092
     40        6          -0.000032352   -0.000011407   -0.001322680
     41        6          -0.000743313   -0.002230839    0.001531525
     42        6          -0.001956138    0.000735616    0.000639855
     43        7          -0.000469277    0.000457887    0.000187908
     44        6           0.000396359   -0.000789917   -0.000150901
     45       16           0.001222751    0.001352812   -0.001599959
     46        6           0.000892158   -0.001440919   -0.000789730
     47        6          -0.001196489    0.001207095    0.000724298
     48        6           0.000349792   -0.000319604    0.000258715
     49        6           0.000644724   -0.000575119    0.000197686
     50       16          -0.000176397    0.000167816    0.000303462
     51        1           0.000041243   -0.000095752    0.000052967
     52        1           0.000009119    0.000001318    0.000066846
     53        1          -0.000064246    0.000022678    0.000096691
     54        1          -0.000017078    0.000005827    0.000108917
     55        1           0.000079388    0.000012019    0.000031908
     56        1           0.000024349   -0.000007725    0.000122507
     57        1          -0.000027332   -0.000067329    0.000038702
     58        1          -0.000302489    0.000434976    0.000219089
     59        1          -0.000166806    0.000095251    0.000080330
     60        1          -0.000052100   -0.000114543    0.000116663
     61        1           0.000031211    0.000068606   -0.000024021
     62        1          -0.000127650   -0.000013717   -0.000026556
     63        1           0.000514552   -0.000163256   -0.000883263
     64        1          -0.000214606   -0.000620475   -0.000264289
     65        1          -0.000257708    0.000079578    0.000205147
     66        1           0.000027165   -0.000571110    0.000521399
     67        1          -0.000041317   -0.000056117   -0.000010461
     68        1           0.000019842   -0.000040335   -0.000012052
     69        1           0.000011426    0.000039578   -0.000002539
     70        1           0.000027527   -0.000000993    0.000005279
     71        1          -0.000028802    0.000032412    0.000018356
     72        1          -0.000020130    0.000038709    0.000004229
     73        1           0.000021239    0.000019237   -0.000031223
     74        1          -0.000183370    0.000239836   -0.000211681
     75        1           0.000017359    0.000414724    0.000112579
     76        1           0.000133912   -0.000189568   -0.000565791
     77        1           0.000367422    0.000210451    0.000338256
     78        1           0.000176200   -0.000013894   -0.000097601
     79        1          -0.000248454   -0.000527994    0.000091119
     80        1           0.000080608   -0.000348177   -0.000210780
     81        1           0.000016417   -0.000010478   -0.000062268
     82        1           0.000036150    0.000038044   -0.000009108
     83        1           0.000033466   -0.000002046   -0.000009122
     84        1           0.000006285   -0.000010131   -0.000026340
     85        1          -0.000072512   -0.000075667   -0.000010259
     86        1          -0.000418050    0.000093535   -0.000025297
     87        1           0.000751997   -0.000263673    0.001368591
     88        1           0.000529872   -0.000205825   -0.000367046
     89        1           0.000124130   -0.000346919    0.000053649
     90        1           0.000058917    0.000197094    0.000324586
     91        1          -0.000076698   -0.000518871    0.000000135
     92        1          -0.000272626   -0.000019642    0.000263184
     93        1          -0.000507690    0.000113198    0.000173824
     94        1           0.000056056    0.000285763    0.000841070
     95        1          -0.000007896    0.000162556   -0.000273696
     96        1           0.000108928    0.000014095   -0.000249818
     97        1          -0.000141009    0.000078659   -0.000130968
     98        1           0.000004788    0.000162956    0.000009869
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002230839 RMS     0.000525903

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.008715547 RMS     0.001116918
 Search for a local minimum.
 Step number  55 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   50   54   55
 DE= -3.17D-04 DEPred=-9.35D-04 R= 3.39D-01
 Trust test= 3.39D-01 RLast= 4.16D-01 DXMaxT set to 4.43D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00134   0.00157   0.00220   0.00247   0.00307
     Eigenvalues ---    0.00361   0.00406   0.00528   0.00602   0.00622
     Eigenvalues ---    0.00737   0.00755   0.00878   0.00937   0.00955
     Eigenvalues ---    0.01001   0.01056   0.01171   0.01196   0.01273
     Eigenvalues ---    0.01300   0.01361   0.01395   0.01441   0.01449
     Eigenvalues ---    0.01506   0.01583   0.01656   0.01738   0.01752
     Eigenvalues ---    0.01819   0.01926   0.02086   0.02107   0.02194
     Eigenvalues ---    0.02203   0.02216   0.02220   0.02257   0.02268
     Eigenvalues ---    0.02290   0.02325   0.02365   0.02374   0.02404
     Eigenvalues ---    0.02406   0.02415   0.02431   0.02448   0.02482
     Eigenvalues ---    0.02485   0.02527   0.02528   0.02551   0.02682
     Eigenvalues ---    0.02702   0.02779   0.02977   0.03328   0.03636
     Eigenvalues ---    0.03871   0.04025   0.04087   0.04172   0.04290
     Eigenvalues ---    0.04546   0.04645   0.04888   0.04945   0.04995
     Eigenvalues ---    0.05136   0.05196   0.05214   0.05323   0.05381
     Eigenvalues ---    0.05411   0.05448   0.05458   0.05528   0.05555
     Eigenvalues ---    0.05610   0.05718   0.05730   0.05810   0.05832
     Eigenvalues ---    0.05859   0.05922   0.05989   0.06056   0.06180
     Eigenvalues ---    0.06484   0.06668   0.06858   0.07056   0.07073
     Eigenvalues ---    0.07516   0.07843   0.08379   0.08646   0.08808
     Eigenvalues ---    0.09220   0.09646   0.09867   0.10220   0.10312
     Eigenvalues ---    0.12079   0.12905   0.13127   0.13201   0.13446
     Eigenvalues ---    0.13722   0.13795   0.14394   0.15393   0.15613
     Eigenvalues ---    0.15687   0.15776   0.15947   0.15970   0.15982
     Eigenvalues ---    0.15986   0.15990   0.15997   0.15998   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16003   0.16004   0.16011
     Eigenvalues ---    0.16025   0.16030   0.16057   0.16079   0.16103
     Eigenvalues ---    0.16170   0.16245   0.16320   0.16866   0.17115
     Eigenvalues ---    0.17366   0.17864   0.17974   0.18375   0.18897
     Eigenvalues ---    0.19187   0.19415   0.20551   0.20664   0.21639
     Eigenvalues ---    0.21807   0.21991   0.22000   0.22001   0.22025
     Eigenvalues ---    0.22038   0.22233   0.22354   0.22899   0.23050
     Eigenvalues ---    0.23447   0.23499   0.23544   0.23706   0.24059
     Eigenvalues ---    0.24302   0.24568   0.24726   0.24898   0.25003
     Eigenvalues ---    0.25029   0.25122   0.25199   0.25585   0.26206
     Eigenvalues ---    0.26990   0.29003   0.29348   0.29693   0.29771
     Eigenvalues ---    0.29864   0.29984   0.30113   0.30290   0.30348
     Eigenvalues ---    0.30513   0.30657   0.30868   0.31336   0.31375
     Eigenvalues ---    0.31429   0.31501   0.31602   0.31659   0.31697
     Eigenvalues ---    0.31823   0.31957   0.32065   0.32286   0.32454
     Eigenvalues ---    0.32569   0.32631   0.32695   0.32767   0.32830
     Eigenvalues ---    0.32853   0.32954   0.33006   0.33049   0.33070
     Eigenvalues ---    0.33115   0.33188   0.33306   0.33400   0.33575
     Eigenvalues ---    0.33583   0.33674   0.33692   0.33719   0.33921
     Eigenvalues ---    0.33968   0.33994   0.34119   0.34183   0.34240
     Eigenvalues ---    0.34363   0.34400   0.34486   0.34522   0.34608
     Eigenvalues ---    0.34714   0.35264   0.36245   0.36305   0.36315
     Eigenvalues ---    0.36376   0.36627   0.36818   0.36934   0.37040
     Eigenvalues ---    0.37342   0.38492   0.39034   0.39389   0.40108
     Eigenvalues ---    0.41016   0.41552   0.42219   0.42520   0.42938
     Eigenvalues ---    0.43280   0.43300   0.43926   0.44374   0.45098
     Eigenvalues ---    0.45247   0.46488   0.47113   0.47580   0.48352
     Eigenvalues ---    0.48451   0.48625   0.48812   0.49021   0.49459
     Eigenvalues ---    0.50202   0.50447   0.50953   0.51270   0.51419
     Eigenvalues ---    0.55628   0.56429   0.57665   0.59343   0.60839
     Eigenvalues ---    0.63692   0.65352   0.76465   0.78570   0.84681
     Eigenvalues ---    1.08385   1.58953   2.108261000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-9.60048833D-04 EMin= 1.33543611D-03
 Quartic linear search produced a step of -0.37508.
 Iteration  1 RMS(Cart)=  0.13246609 RMS(Int)=  0.00126030
 Iteration  2 RMS(Cart)=  0.00487369 RMS(Int)=  0.00001660
 Iteration  3 RMS(Cart)=  0.00000408 RMS(Int)=  0.00001656
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001656
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89467   0.00018   0.00045  -0.00074  -0.00030   2.89437
    R2        2.07195  -0.00003  -0.00016   0.00041   0.00025   2.07220
    R3        2.07384   0.00002  -0.00025   0.00043   0.00018   2.07402
    R4        2.07177   0.00001   0.00036  -0.00059  -0.00023   2.07154
    R5        2.89411   0.00010  -0.00044   0.00100   0.00057   2.89468
    R6        2.82772   0.00011  -0.00015   0.00017   0.00002   2.82774
    R7        2.13128  -0.00004   0.00027  -0.00042  -0.00015   2.13113
    R8        2.07188   0.00002   0.00034  -0.00044  -0.00010   2.07179
    R9        2.07407  -0.00012  -0.00037   0.00035  -0.00001   2.07405
   R10        2.07226  -0.00006   0.00008  -0.00024  -0.00016   2.07210
   R11        2.47698   0.00030  -0.00026   0.00110   0.00084   2.47781
   R12        3.37535  -0.00013  -0.00005  -0.00102  -0.00107   3.37428
   R13        2.68374   0.00012   0.00108  -0.00215  -0.00106   2.68268
   R14        2.83820   0.00110   0.00063   0.00016   0.00079   2.83898
   R15        2.57934   0.00068   0.00000   0.00128   0.00127   2.58062
   R16        2.80420   0.00098   0.00120  -0.00054   0.00067   2.80487
   R17        2.11766   0.00032   0.00141  -0.00169  -0.00028   2.11738
   R18        2.11740   0.00008  -0.00027   0.00091   0.00065   2.11804
   R19        2.81459   0.00009  -0.00043   0.00069   0.00026   2.81485
   R20        2.68373   0.00020   0.00125  -0.00135  -0.00011   2.68363
   R21        2.08327  -0.00013  -0.00025   0.00030   0.00005   2.08332
   R22        2.09212  -0.00003  -0.00016   0.00020   0.00004   2.09217
   R23        2.08320  -0.00013  -0.00017  -0.00029  -0.00046   2.08274
   R24        2.31611   0.00116   0.00064  -0.00127  -0.00063   2.31548
   R25        2.69414   0.00202  -0.00053   0.00268   0.00216   2.69629
   R26        2.79258   0.00370   0.00317   0.00015   0.00332   2.79590
   R27        1.95280  -0.00085   0.00022  -0.00360  -0.00338   1.94942
   R28        2.91497   0.00074  -0.00004   0.00157   0.00153   2.91650
   R29        2.94179   0.00093   0.00164  -0.00214  -0.00050   2.94129
   R30        2.13400   0.00042   0.00021   0.00057   0.00077   2.13477
   R31        2.32201   0.00164   0.00096  -0.00140  -0.00044   2.32157
   R32        2.61948  -0.00018  -0.00003  -0.00017  -0.00019   2.61928
   R33        2.81745  -0.00057   0.00012  -0.00296  -0.00285   2.81460
   R34        1.92525  -0.00022  -0.00026  -0.00076  -0.00102   1.92423
   R35        2.91963   0.00032   0.00056   0.00002   0.00057   2.92020
   R36        2.91744   0.00003  -0.00066  -0.00126  -0.00192   2.91552
   R37        2.13603  -0.00066  -0.00085   0.00033  -0.00052   2.13551
   R38        2.84229  -0.00016  -0.00046   0.00014  -0.00032   2.84197
   R39        2.10391  -0.00004   0.00011   0.00018   0.00029   2.10420
   R40        2.09825  -0.00002  -0.00007  -0.00049  -0.00056   2.09769
   R41        2.65373  -0.00019  -0.00016   0.00014  -0.00002   2.65370
   R42        2.65250  -0.00026  -0.00003  -0.00028  -0.00032   2.65218
   R43        2.64090  -0.00020  -0.00003  -0.00037  -0.00040   2.64050
   R44        2.05919   0.00004  -0.00013   0.00056   0.00043   2.05963
   R45        2.64233  -0.00004  -0.00017   0.00034   0.00018   2.64251
   R46        2.05883   0.00003   0.00009  -0.00009   0.00000   2.05883
   R47        2.64313  -0.00021  -0.00013  -0.00016  -0.00028   2.64285
   R48        2.05632  -0.00004   0.00000  -0.00015  -0.00015   2.05618
   R49        2.64094  -0.00020  -0.00015  -0.00004  -0.00018   2.64075
   R50        2.05854  -0.00001   0.00004  -0.00022  -0.00019   2.05835
   R51        2.05561  -0.00002  -0.00009  -0.00010  -0.00019   2.05542
   R52        2.89943  -0.00182  -0.00121  -0.00251  -0.00372   2.89571
   R53        2.10313  -0.00035  -0.00003  -0.00056  -0.00059   2.10254
   R54        2.09084  -0.00015   0.00118  -0.00197  -0.00079   2.09006
   R55        2.72980   0.00030   0.00046  -0.00034   0.00012   2.72992
   R56        2.94333   0.00092  -0.00199   0.00627   0.00428   2.94760
   R57        2.11700   0.00000  -0.00194   0.00231   0.00037   2.11737
   R58        1.88178   0.00044  -0.00008  -0.00102  -0.00110   1.88069
   R59        2.90705  -0.00054   0.00022  -0.00140  -0.00118   2.90587
   R60        2.82817   0.00216   0.00006  -0.00287  -0.00282   2.82535
   R61        2.12454  -0.00007   0.00051  -0.00156  -0.00105   2.12349
   R62        2.84328  -0.00079  -0.00055  -0.00085  -0.00140   2.84187
   R63        2.11561  -0.00058  -0.00031  -0.00181  -0.00212   2.11348
   R64        2.09447   0.00036   0.00043   0.00112   0.00155   2.09602
   R65        2.65369  -0.00077  -0.00037  -0.00060  -0.00097   2.65272
   R66        2.65110  -0.00010  -0.00027   0.00032   0.00006   2.65116
   R67        2.63937  -0.00026  -0.00008  -0.00031  -0.00039   2.63898
   R68        2.06186  -0.00001  -0.00019   0.00005  -0.00014   2.06172
   R69        2.64422  -0.00004  -0.00015   0.00019   0.00004   2.64426
   R70        2.05735   0.00001   0.00012  -0.00009   0.00003   2.05738
   R71        2.64195  -0.00008  -0.00005   0.00000  -0.00005   2.64190
   R72        2.05515  -0.00003  -0.00001   0.00003   0.00002   2.05518
   R73        2.64168  -0.00007   0.00013  -0.00023  -0.00010   2.64158
   R74        2.05675   0.00001  -0.00005   0.00012   0.00007   2.05682
   R75        2.05343   0.00003  -0.00013   0.00035   0.00021   2.05364
   R76        2.63917   0.00072   0.00029  -0.00810  -0.00782   2.63135
   R77        1.95273  -0.00023   0.00053  -0.00695  -0.00642   1.94631
   R78        2.30841   0.00001  -0.00131   0.00211   0.00080   2.30921
   R79        2.62974  -0.00023   0.00315  -0.00746  -0.00431   2.62543
   R80        2.77271  -0.00108   0.00082  -0.00522  -0.00441   2.76831
   R81        2.79311  -0.00172  -0.00026  -0.00448  -0.00475   2.78837
   R82        2.08820   0.00150   0.00025   0.00349   0.00373   2.09193
   R83        2.09775  -0.00046   0.00018  -0.00210  -0.00191   2.09583
   R84        2.58590  -0.00155  -0.00007  -0.00214  -0.00221   2.58369
   R85        3.30664   0.00122  -0.00180   0.00647   0.00467   3.31131
   R86        2.66530  -0.00041   0.00018   0.00088   0.00106   2.66636
   R87        2.04943   0.00003   0.00003   0.00033   0.00037   2.04980
   R88        2.49463  -0.00042  -0.00016  -0.00099  -0.00116   2.49348
   R89        3.32754  -0.00002   0.00215  -0.00470  -0.00255   3.32498
   R90        2.05464  -0.00030   0.00093  -0.00216  -0.00123   2.05341
   R91        2.88410   0.00318   0.00258   0.00009   0.00267   2.88677
   R92        2.89178  -0.00005  -0.00055   0.00195   0.00140   2.89318
   R93        2.12297  -0.00006  -0.00054   0.00119   0.00065   2.12362
   R94        2.07586  -0.00010   0.00056  -0.00342  -0.00286   2.07300
   R95        2.08590   0.00044   0.00047   0.00022   0.00069   2.08659
   R96        2.07055   0.00063  -0.00046   0.00328   0.00282   2.07337
   R97        2.07654  -0.00032  -0.00006  -0.00077  -0.00083   2.07571
   R98        2.07939  -0.00006  -0.00020   0.00091   0.00071   2.08010
   R99        2.06877  -0.00002  -0.00008   0.00022   0.00014   2.06891
   R100       3.28159  -0.00006   0.00047  -0.00180  -0.00134   3.28025
   R101       2.03878  -0.00014   0.00000  -0.00016  -0.00016   2.03862
    A1        1.93433   0.00006  -0.00011   0.00053   0.00042   1.93475
    A2        1.94430   0.00006   0.00033  -0.00047  -0.00015   1.94415
    A3        1.95961   0.00009   0.00047  -0.00009   0.00038   1.95999
    A4        1.87344  -0.00003   0.00043  -0.00039   0.00004   1.87347
    A5        1.87171  -0.00009  -0.00069   0.00014  -0.00055   1.87117
    A6        1.87643  -0.00010  -0.00047   0.00028  -0.00019   1.87624
    A7        1.95129   0.00000  -0.00011   0.00044   0.00034   1.95162
    A8        1.92339   0.00004   0.00031   0.00121   0.00151   1.92490
    A9        1.89041  -0.00006  -0.00061  -0.00001  -0.00063   1.88978
   A10        1.92810   0.00003   0.00069  -0.00234  -0.00165   1.92646
   A11        1.88934  -0.00001  -0.00020   0.00051   0.00031   1.88964
   A12        1.87915  -0.00001  -0.00011   0.00022   0.00011   1.87926
   A13        1.96164   0.00004   0.00047  -0.00142  -0.00095   1.96070
   A14        1.94484   0.00003   0.00001   0.00021   0.00021   1.94506
   A15        1.93454  -0.00001  -0.00003   0.00032   0.00029   1.93483
   A16        1.87486  -0.00002  -0.00005   0.00022   0.00017   1.87503
   A17        1.87031  -0.00006  -0.00104   0.00141   0.00037   1.87068
   A18        1.87342   0.00001   0.00061  -0.00067  -0.00006   1.87336
   A19        2.21054  -0.00008   0.00002  -0.00064  -0.00062   2.20992
   A20        2.11671  -0.00002  -0.00038   0.00102   0.00064   2.11735
   A21        1.95593   0.00010   0.00036  -0.00039  -0.00002   1.95591
   A22        1.96162   0.00009   0.00016  -0.00030  -0.00013   1.96149
   A23        2.04691   0.00017  -0.00033   0.00219   0.00185   2.04876
   A24        2.01172  -0.00037  -0.00080   0.00069  -0.00011   2.01162
   A25        2.22450   0.00020   0.00113  -0.00286  -0.00173   2.22277
   A26        1.98294   0.00021   0.00046  -0.00105  -0.00058   1.98236
   A27        1.91578   0.00003   0.00049  -0.00048   0.00001   1.91579
   A28        1.92375  -0.00009  -0.00029  -0.00002  -0.00031   1.92344
   A29        1.92065   0.00020   0.00175   0.00095   0.00270   1.92334
   A30        1.88002  -0.00017  -0.00151   0.00168   0.00017   1.88019
   A31        1.83460  -0.00021  -0.00106  -0.00104  -0.00210   1.83250
   A32        1.98441  -0.00029   0.00112  -0.00216  -0.00105   1.98336
   A33        2.11410   0.00102  -0.00012   0.00193   0.00181   2.11590
   A34        2.00829  -0.00074  -0.00165   0.00086  -0.00079   2.00750
   A35        1.89718  -0.00019  -0.00064   0.00031  -0.00033   1.89685
   A36        1.92257   0.00013  -0.00008   0.00041   0.00033   1.92290
   A37        1.96706   0.00001   0.00013  -0.00051  -0.00038   1.96668
   A38        1.88940   0.00001   0.00086  -0.00156  -0.00070   1.88870
   A39        1.89854   0.00007   0.00077  -0.00090  -0.00012   1.89842
   A40        1.88751  -0.00003  -0.00099   0.00217   0.00118   1.88869
   A41        2.12916  -0.00137  -0.00065  -0.00016  -0.00081   2.12835
   A42        2.04925   0.00274  -0.00095   0.00389   0.00294   2.05219
   A43        2.10377  -0.00135   0.00180  -0.00360  -0.00180   2.10197
   A44        2.02721  -0.00221   0.00306  -0.00806  -0.00500   2.02221
   A45        2.06430   0.00047  -0.00113  -0.00057  -0.00171   2.06260
   A46        1.98558   0.00169  -0.00106   0.00424   0.00317   1.98875
   A47        1.91995   0.00141   0.00143   0.00373   0.00515   1.92510
   A48        1.89819   0.00169   0.00329   0.00293   0.00621   1.90440
   A49        1.87585  -0.00155   0.00226  -0.00972  -0.00746   1.86838
   A50        1.94791  -0.00193  -0.00148  -0.00031  -0.00180   1.94612
   A51        1.91736   0.00001  -0.00309   0.00157  -0.00150   1.91586
   A52        1.90301   0.00039  -0.00229   0.00144  -0.00082   1.90219
   A53        2.14073   0.00140   0.00075   0.00329   0.00407   2.14480
   A54        2.03284  -0.00327  -0.00163  -0.00877  -0.01037   2.02247
   A55        2.10942   0.00190   0.00094   0.00543   0.00641   2.11583
   A56        2.12176   0.00269  -0.00026   0.00561   0.00536   2.12711
   A57        2.11947  -0.00109  -0.00029  -0.00117  -0.00146   2.11801
   A58        2.03823  -0.00147   0.00001  -0.00332  -0.00330   2.03493
   A59        1.90928  -0.00062  -0.00033   0.00353   0.00320   1.91247
   A60        1.93285   0.00282   0.00130  -0.00828  -0.00698   1.92587
   A61        1.87520  -0.00074  -0.00060   0.00202   0.00141   1.87661
   A62        1.95955  -0.00279  -0.00117   0.00341   0.00225   1.96180
   A63        1.88363   0.00063   0.00072  -0.00032   0.00041   1.88404
   A64        1.90075   0.00073   0.00009  -0.00023  -0.00015   1.90060
   A65        1.99637   0.00034   0.00022  -0.00034  -0.00012   1.99625
   A66        1.89503  -0.00008  -0.00033   0.00008  -0.00025   1.89478
   A67        1.89937  -0.00005  -0.00002   0.00029   0.00027   1.89964
   A68        1.91909  -0.00010   0.00003  -0.00004  -0.00001   1.91907
   A69        1.92189  -0.00016   0.00039  -0.00042  -0.00002   1.92187
   A70        1.82394   0.00003  -0.00037   0.00053   0.00016   1.82411
   A71        2.09333   0.00002   0.00010   0.00016   0.00025   2.09358
   A72        2.10514  -0.00012  -0.00030  -0.00001  -0.00031   2.10483
   A73        2.08468   0.00010   0.00020  -0.00014   0.00006   2.08474
   A74        2.09743  -0.00007  -0.00020   0.00014  -0.00006   2.09737
   A75        2.09757   0.00001   0.00013  -0.00055  -0.00042   2.09715
   A76        2.08808   0.00005   0.00007   0.00041   0.00049   2.08857
   A77        2.09852  -0.00001   0.00008  -0.00008   0.00000   2.09852
   A78        2.09062   0.00000  -0.00002  -0.00005  -0.00007   2.09055
   A79        2.09404   0.00001  -0.00006   0.00012   0.00006   2.09410
   A80        2.08967   0.00000   0.00002  -0.00005  -0.00003   2.08964
   A81        2.09675   0.00002   0.00014  -0.00015  -0.00001   2.09674
   A82        2.09676  -0.00002  -0.00016   0.00020   0.00004   2.09679
   A83        2.09927   0.00000   0.00002  -0.00003  -0.00001   2.09926
   A84        2.09245   0.00005   0.00018  -0.00005   0.00013   2.09258
   A85        2.09147  -0.00004  -0.00020   0.00008  -0.00012   2.09135
   A86        2.09676  -0.00002  -0.00013   0.00015   0.00003   2.09679
   A87        2.09801  -0.00002  -0.00004  -0.00015  -0.00019   2.09782
   A88        2.08840   0.00004   0.00016   0.00000   0.00016   2.08856
   A89        1.95289   0.00673   0.00114  -0.01050  -0.00935   1.94354
   A90        1.92725  -0.00150   0.00087   0.00140   0.00228   1.92953
   A91        1.91266  -0.00253  -0.00166   0.00360   0.00192   1.91459
   A92        1.89334  -0.00199   0.00021   0.00437   0.00458   1.89792
   A93        1.93902  -0.00222  -0.00140   0.00209   0.00068   1.93970
   A94        1.83510   0.00113   0.00084  -0.00024   0.00058   1.83568
   A95        1.88622  -0.00007  -0.00207   0.00082  -0.00125   1.88497
   A96        2.00202  -0.00451  -0.00509   0.00527   0.00018   2.00220
   A97        1.94541   0.00177   0.00258  -0.01053  -0.00796   1.93745
   A98        1.79510   0.00230   0.00234   0.00386   0.00622   1.80132
   A99        1.89879  -0.00059   0.00110   0.00164   0.00272   1.90151
   A100       1.92756   0.00120   0.00124   0.00014   0.00136   1.92892
   A101       1.91533   0.00046   0.00266  -0.00221   0.00045   1.91579
   A102       1.94289  -0.00245  -0.00309   0.00557   0.00248   1.94537
   A103       1.88812   0.00403   0.00482  -0.00732  -0.00250   1.88562
   A104       1.91404  -0.00027  -0.00080   0.00065  -0.00015   1.91389
   A105       1.95495  -0.00046  -0.00098  -0.00224  -0.00323   1.95172
   A106       1.91816   0.00084   0.00178  -0.00409  -0.00230   1.91586
   A107       1.84272  -0.00159  -0.00161   0.00748   0.00587   1.84859
   A108       1.94835  -0.00012  -0.00031   0.00020  -0.00011   1.94824
   A109       1.92077   0.00021  -0.00010  -0.00029  -0.00038   1.92039
   A110       1.91525  -0.00015   0.00099  -0.00300  -0.00200   1.91324
   A111       1.92148  -0.00009  -0.00126   0.00240   0.00114   1.92262
   A112       1.92616   0.00011   0.00068  -0.00181  -0.00113   1.92502
   A113       1.82821   0.00005   0.00002   0.00260   0.00262   1.83083
   A114       2.09270  -0.00008  -0.00141   0.00285   0.00144   2.09413
   A115       2.10157  -0.00015   0.00076  -0.00221  -0.00145   2.10012
   A116       2.08892   0.00023   0.00065  -0.00063   0.00001   2.08893
   A117       2.09506  -0.00003  -0.00033   0.00041   0.00008   2.09513
   A118       2.08831  -0.00003  -0.00033   0.00077   0.00044   2.08875
   A119       2.09979   0.00006   0.00067  -0.00118  -0.00051   2.09928
   A120       2.09803   0.00005   0.00003   0.00013   0.00017   2.09819
   A121       2.09190  -0.00008  -0.00018  -0.00004  -0.00022   2.09168
   A122       2.09326   0.00003   0.00015  -0.00010   0.00005   2.09331
   A123       2.09123  -0.00004   0.00009  -0.00025  -0.00016   2.09106
   A124       2.09551   0.00002  -0.00001   0.00008   0.00007   2.09558
   A125       2.09645   0.00002  -0.00008   0.00018   0.00010   2.09654
   A126       2.09887  -0.00011   0.00002  -0.00022  -0.00021   2.09866
   A127       2.09307   0.00008   0.00004   0.00025   0.00030   2.09337
   A128       2.09124   0.00004  -0.00006  -0.00003  -0.00009   2.09116
   A129       2.09427  -0.00009  -0.00045   0.00057   0.00012   2.09439
   A130       2.09781   0.00015   0.00071  -0.00032   0.00039   2.09821
   A131       2.09110  -0.00006  -0.00026  -0.00025  -0.00051   2.09059
   A132       2.06305   0.00656  -0.00085   0.00139   0.00044   2.06348
   A133       1.96195  -0.00132  -0.00240   0.01150   0.00897   1.97092
   A134       2.01095  -0.00319  -0.00525   0.01862   0.01325   2.02420
   A135       2.25381   0.00143   0.00172  -0.00300  -0.00127   2.25254
   A136       1.90881  -0.00402  -0.00268   0.00211  -0.00055   1.90826
   A137       2.11995   0.00248   0.00067   0.00103   0.00172   2.12168
   A138       2.01194   0.00872  -0.00241   0.00741   0.00499   2.01693
   A139       1.91608   0.00418  -0.00743   0.01564   0.00822   1.92429
   A140       1.76294  -0.00189   0.00502  -0.01571  -0.01068   1.75225
   A141       1.88837  -0.00076   0.00055   0.00248   0.00304   1.89141
   A142       1.98739  -0.00256   0.00107  -0.00500  -0.00392   1.98347
   A143       1.97238   0.00026   0.00099  -0.00222  -0.00124   1.97114
   A144       1.92310   0.00070  -0.00005   0.00422   0.00419   1.92729
   A145       2.29190  -0.00502  -0.00344   0.00180  -0.00175   2.29015
   A146       2.07510   0.00546   0.00142   0.00369   0.00500   2.08010
   A147       1.91446  -0.00040   0.00104  -0.00281  -0.00186   1.91260
   A148       2.01189   0.00059  -0.00085   0.00174   0.00091   2.01280
   A149       2.21836  -0.00024   0.00051  -0.00009   0.00042   2.21879
   A150       2.05278  -0.00035   0.00039  -0.00169  -0.00129   2.05149
   A151       1.94826   0.00021   0.00098  -0.00050   0.00048   1.94874
   A152       1.98004  -0.00028  -0.00115   0.00130   0.00010   1.98014
   A153       2.18279  -0.00005  -0.00029   0.00196   0.00161   2.18441
   A154       2.11936   0.00036   0.00111  -0.00208  -0.00102   2.11834
   A155       1.56981  -0.00010   0.00005   0.00054   0.00062   1.57043
   A156       1.96350   0.00022   0.00343  -0.00416  -0.00073   1.96277
   A157       1.92979  -0.00054  -0.00208  -0.00022  -0.00230   1.92749
   A158       1.85224   0.00015  -0.00008   0.00392   0.00384   1.85608
   A159       1.93346   0.00026  -0.00015  -0.00079  -0.00096   1.93251
   A160       1.88660   0.00006  -0.00036   0.00299   0.00262   1.88922
   A161       1.89475  -0.00015  -0.00086  -0.00138  -0.00223   1.89251
   A162       1.95475   0.00030   0.00087   0.00059   0.00146   1.95621
   A163       1.96025   0.00028   0.00275  -0.00300  -0.00025   1.96000
   A164       1.94039   0.00051  -0.00025   0.00142   0.00117   1.94156
   A165       1.85627  -0.00028  -0.00390   0.00707   0.00317   1.85944
   A166       1.87165  -0.00056   0.00063  -0.00480  -0.00417   1.86748
   A167       1.87534  -0.00033  -0.00037  -0.00126  -0.00162   1.87372
   A168       1.93195   0.00002  -0.00050   0.00212   0.00162   1.93357
   A169       1.96565  -0.00006  -0.00005  -0.00003  -0.00008   1.96557
   A170       1.96132  -0.00004  -0.00045  -0.00007  -0.00052   1.96080
   A171       1.85090   0.00011  -0.00060   0.00276   0.00216   1.85306
   A172       1.86042   0.00008   0.00119  -0.00053   0.00066   1.86108
   A173       1.88721  -0.00010   0.00048  -0.00422  -0.00374   1.88347
   A174       1.91581   0.00019   0.00064  -0.00077  -0.00013   1.91568
   A175       2.23964  -0.00015   0.00060  -0.00300  -0.00239   2.23725
   A176       2.12770  -0.00004  -0.00123   0.00377   0.00254   2.13023
   A177       1.57963   0.00000  -0.00034   0.00075   0.00041   1.58004
    D1        1.11610  -0.00008  -0.00225  -0.01441  -0.01665   1.09944
    D2       -3.01564  -0.00002  -0.00122  -0.01623  -0.01745  -3.03309
    D3       -0.96412  -0.00004  -0.00154  -0.01529  -0.01683  -0.98095
    D4       -3.08238  -0.00005  -0.00157  -0.01485  -0.01642  -3.09880
    D5       -0.93093   0.00001  -0.00054  -0.01668  -0.01722  -0.94815
    D6        1.12059  -0.00001  -0.00086  -0.01574  -0.01660   1.10399
    D7       -0.97663  -0.00008  -0.00161  -0.01490  -0.01651  -0.99314
    D8        1.17481  -0.00002  -0.00058  -0.01672  -0.01730   1.15751
    D9       -3.05685  -0.00003  -0.00090  -0.01578  -0.01668  -3.07354
   D10        1.00842   0.00001   0.00155  -0.01044  -0.00888   0.99953
   D11        3.11395   0.00004   0.00183  -0.01100  -0.00917   3.10478
   D12       -1.08405   0.00006   0.00259  -0.01150  -0.00892  -1.09296
   D13       -1.14036  -0.00006   0.00074  -0.01062  -0.00988  -1.15024
   D14        0.96517  -0.00003   0.00101  -0.01118  -0.01017   0.95500
   D15        3.05036   0.00000   0.00177  -0.01168  -0.00991   3.04045
   D16        3.08927  -0.00006   0.00060  -0.00986  -0.00926   3.08001
   D17       -1.08839  -0.00003   0.00087  -0.01042  -0.00955  -1.09793
   D18        0.99680  -0.00001   0.00163  -0.01092  -0.00929   0.98751
   D19        2.02483  -0.00008   0.00227   0.01479   0.01706   2.04189
   D20       -1.12158   0.00006   0.00493   0.01200   0.01693  -1.10465
   D21       -2.09345  -0.00004   0.00283   0.01457   0.01740  -2.07605
   D22        1.04332   0.00011   0.00549   0.01178   0.01726   1.06059
   D23       -0.03364  -0.00003   0.00290   0.01401   0.01691  -0.01673
   D24        3.10313   0.00011   0.00556   0.01122   0.01678   3.11991
   D25       -3.13588  -0.00003  -0.00055  -0.00062  -0.00117  -3.13704
   D26        0.01016  -0.00016  -0.00300   0.00195  -0.00105   0.00912
   D27        3.13538   0.00007   0.00055   0.00145   0.00200   3.13738
   D28       -0.01038   0.00019   0.00285  -0.00097   0.00188  -0.00850
   D29        3.12632   0.00003   0.00130   0.00006   0.00137   3.12769
   D30       -0.00451   0.00003   0.00163  -0.00232  -0.00068  -0.00519
   D31        2.05866  -0.00024   0.01046  -0.03194  -0.02148   2.03718
   D32       -2.06585   0.00019   0.01347  -0.03183  -0.01836  -2.08421
   D33       -0.05315  -0.00010   0.01230  -0.03337  -0.02107  -0.07422
   D34       -1.09519  -0.00025   0.01007  -0.02920  -0.01913  -1.11432
   D35        1.06349   0.00018   0.01308  -0.02908  -0.01601   1.04748
   D36        3.07619  -0.00010   0.01191  -0.03063  -0.01872   3.05747
   D37       -0.00350   0.00011   0.00058   0.00151   0.00209  -0.00141
   D38       -3.13618  -0.00005  -0.00076   0.00091   0.00015  -3.13603
   D39       -3.13304   0.00012   0.00096  -0.00119  -0.00023  -3.13327
   D40        0.01746  -0.00005  -0.00038  -0.00180  -0.00217   0.01529
   D41       -1.22208   0.00032   0.00381   0.00013   0.00394  -1.21814
   D42        1.28541   0.00001   0.00220   0.00132   0.00352   1.28894
   D43        2.90508  -0.00002   0.00148   0.00080   0.00228   2.90736
   D44       -0.87061  -0.00033  -0.00013   0.00199   0.00186  -0.86875
   D45        0.91407   0.00022   0.00266   0.00063   0.00329   0.91736
   D46       -2.86162  -0.00009   0.00105   0.00182   0.00287  -2.85875
   D47       -1.17738   0.00020   0.00267   0.00463   0.00730  -1.17009
   D48        3.03833   0.00022   0.00205   0.00609   0.00815   3.04648
   D49        0.92862   0.00015   0.00329   0.00338   0.00667   0.93529
   D50        2.55845  -0.00017   0.00367   0.00302   0.00669   2.56514
   D51        0.49097  -0.00014   0.00306   0.00448   0.00754   0.49851
   D52       -1.61873  -0.00021   0.00429   0.00177   0.00606  -1.61267
   D53       -2.77478   0.00078   0.00139   0.01423   0.01563  -2.75915
   D54        0.41483   0.00021  -0.00417   0.01112   0.00695   0.42178
   D55       -0.27532   0.00062   0.00070   0.01443   0.01514  -0.26018
   D56        2.91430   0.00006  -0.00486   0.01132   0.00646   2.92076
   D57        2.83126   0.00114   0.00382   0.02060   0.02442   2.85567
   D58        0.37553   0.00058   0.00293   0.02535   0.02826   0.40379
   D59       -0.26305   0.00059  -0.00161   0.01745   0.01585  -0.24720
   D60       -2.71878   0.00003  -0.00250   0.02220   0.01970  -2.69908
   D61       -1.43042  -0.00039  -0.00802   0.02141   0.01340  -1.41702
   D62        2.71449   0.00001  -0.00926   0.01753   0.00825   2.72274
   D63        0.65661  -0.00051  -0.00958   0.01962   0.01004   0.66666
   D64        1.05581  -0.00024  -0.00730   0.01528   0.00799   1.06380
   D65       -1.08247   0.00016  -0.00854   0.01140   0.00284  -1.07963
   D66       -3.14034  -0.00036  -0.00886   0.01348   0.00463  -3.13571
   D67       -0.57484  -0.00148   0.00847  -0.02076  -0.01228  -0.58713
   D68        2.58765  -0.00307  -0.00185  -0.01795  -0.01980   2.56785
   D69        1.53380   0.00033   0.01262  -0.01474  -0.00211   1.53169
   D70       -1.58689  -0.00126   0.00230  -0.01193  -0.00963  -1.59652
   D71       -2.63641  -0.00044   0.00672  -0.01206  -0.00534  -2.64176
   D72        0.52608  -0.00203  -0.00360  -0.00926  -0.01286   0.51322
   D73        1.09411   0.00098  -0.00429   0.05709   0.05280   1.14690
   D74       -3.01714   0.00107  -0.00355   0.05281   0.04927  -2.96787
   D75       -0.96564   0.00070  -0.00569   0.05330   0.04761  -0.91803
   D76       -1.02718  -0.00068  -0.00736   0.05065   0.04329  -0.98390
   D77        1.14475  -0.00059  -0.00661   0.04637   0.03976   1.18451
   D78       -3.08693  -0.00097  -0.00875   0.04686   0.03810  -3.04883
   D79        3.13470   0.00029  -0.00103   0.04791   0.04688  -3.10160
   D80       -0.97654   0.00038  -0.00029   0.04363   0.04335  -0.93319
   D81        1.07496   0.00001  -0.00243   0.04412   0.04170   1.11665
   D82        3.08661   0.00134   0.00164   0.01773   0.01938   3.10599
   D83        0.04065  -0.00036   0.00808   0.00352   0.01161   0.05225
   D84       -0.03449  -0.00022  -0.00848   0.02051   0.01202  -0.02247
   D85       -3.08045  -0.00191  -0.00204   0.00630   0.00425  -3.07620
   D86        2.57418  -0.00185  -0.00076  -0.05090  -0.05165   2.52253
   D87       -1.54017  -0.00388  -0.00159  -0.04976  -0.05136  -1.59152
   D88        0.53372  -0.00185  -0.00111  -0.05351  -0.05463   0.47910
   D89       -0.65880  -0.00022  -0.00693  -0.03723  -0.04416  -0.70296
   D90        1.51004  -0.00226  -0.00776  -0.03610  -0.04386   1.46617
   D91       -2.69926  -0.00022  -0.00728  -0.03985  -0.04714  -2.74639
   D92        1.03609   0.00074   0.00225   0.00317   0.00542   1.04151
   D93       -1.11426   0.00070   0.00230   0.00341   0.00571  -1.10855
   D94       -3.08975   0.00073   0.00291   0.00261   0.00551  -3.08424
   D95       -1.11703  -0.00051   0.00163   0.00889   0.01051  -1.10651
   D96        3.01580  -0.00055   0.00168   0.00912   0.01081   3.02661
   D97        1.04031  -0.00052   0.00229   0.00832   0.01061   1.05092
   D98        3.07122  -0.00013   0.00176   0.00730   0.00906   3.08027
   D99        0.92086  -0.00016   0.00181   0.00754   0.00935   0.93021
   D100      -1.05463  -0.00013   0.00242   0.00673   0.00915  -1.04548
   D101       1.24698   0.00090   0.00789  -0.02063  -0.01274   1.23424
   D102      -0.86384  -0.00007   0.00624  -0.02007  -0.01383  -0.87767
   D103      -2.87734   0.00090   0.00569  -0.02266  -0.01697  -2.89431
   D104      -2.89635   0.00016   0.00757  -0.01967  -0.01210  -2.90845
   D105       1.27601  -0.00080   0.00592  -0.01911  -0.01319   1.26282
   D106      -0.73748   0.00016   0.00537  -0.02170  -0.01633  -0.75381
   D107      -0.81139  -0.00031   0.00780  -0.01808  -0.01029  -0.82167
   D108      -2.92221  -0.00128   0.00615  -0.01752  -0.01137  -2.93358
   D109       1.34748  -0.00031   0.00560  -0.02011  -0.01451   1.33297
   D110      -1.67369   0.00003   0.00346   0.00571   0.00917  -1.66452
   D111       1.47713   0.00004   0.00334   0.00557   0.00891   1.48604
   D112       0.46363   0.00009   0.00321   0.00553   0.00874   0.47237
   D113      -2.66873   0.00009   0.00310   0.00539   0.00848  -2.66025
   D114       2.46430  -0.00003   0.00301   0.00590   0.00892   2.47321
   D115      -0.66807  -0.00002   0.00290   0.00577   0.00866  -0.65941
   D116       3.14128  -0.00001  -0.00023  -0.00025  -0.00048   3.14080
   D117      -0.01580   0.00001  -0.00014   0.00040   0.00026  -0.01553
   D118      -0.00943  -0.00002  -0.00012  -0.00011  -0.00023  -0.00966
   D119       3.11668   0.00000  -0.00003   0.00054   0.00051   3.11719
   D120      -3.14050   0.00001   0.00014   0.00035   0.00049  -3.14002
   D121       0.00760   0.00001   0.00007   0.00082   0.00089   0.00849
   D122       0.01027   0.00001   0.00002   0.00021   0.00023   0.01050
   D123      -3.12482   0.00002  -0.00005   0.00069   0.00064  -3.12418
   D124       0.00148   0.00001   0.00012  -0.00003   0.00009   0.00156
   D125       3.13823   0.00002   0.00033  -0.00024   0.00009   3.13831
   D126      -3.12471  -0.00001   0.00003  -0.00067  -0.00065  -3.12536
   D127       0.01204   0.00000   0.00023  -0.00088  -0.00065   0.01139
   D128       0.00568   0.00000  -0.00002   0.00008   0.00006   0.00574
   D129       3.14128   0.00001   0.00023  -0.00029  -0.00006   3.14122
   D130      -3.13106  -0.00001  -0.00023   0.00029   0.00006  -3.13100
   D131       0.00454   0.00000   0.00002  -0.00008  -0.00006   0.00448
   D132      -0.00484   0.00000  -0.00007   0.00002  -0.00006  -0.00490
   D133       3.13398   0.00000  -0.00001  -0.00003  -0.00004   3.13394
   D134      -3.14043  -0.00001  -0.00032   0.00038   0.00006  -3.14037
   D135      -0.00161  -0.00001  -0.00026   0.00034   0.00008  -0.00153
   D136      -0.00317   0.00000   0.00008  -0.00016  -0.00009  -0.00326
   D137       3.13195   0.00000   0.00014  -0.00064  -0.00049   3.13146
   D138       3.14119  -0.00001   0.00001  -0.00012  -0.00011   3.14108
   D139      -0.00687  -0.00001   0.00008  -0.00059  -0.00051  -0.00739
   D140      -1.81601  -0.00073   0.00584   0.01113   0.01696  -1.79905
   D141       2.47646  -0.00100   0.00710   0.00286   0.00998   2.48644
   D142       0.26965  -0.00044   0.00741   0.00738   0.01479   0.28444
   D143       0.31436   0.00036   0.00782   0.00909   0.01690   0.33126
   D144      -1.67636   0.00009   0.00909   0.00082   0.00992  -1.66644
   D145       2.40002   0.00065   0.00939   0.00534   0.01472   2.41474
   D146       2.32321  -0.00067   0.00819   0.01249   0.02066   2.34387
   D147       0.33249  -0.00094   0.00945   0.00422   0.01368   0.34618
   D148      -1.87432  -0.00038   0.00975   0.00874   0.01849  -1.85583
   D149       1.70362   0.00204  -0.00337   0.06330   0.05992   1.76354
   D150      -2.45556  -0.00198  -0.00898   0.07179   0.06282  -2.39275
   D151      -0.41125   0.00029  -0.00590   0.07458   0.06869  -0.34255
   D152      -1.13656  -0.00027  -0.01161   0.03888   0.02728  -1.10928
   D153       2.99152  -0.00085  -0.01164   0.04307   0.03144   3.02296
   D154       0.98994  -0.00102  -0.01193   0.03785   0.02592   1.01586
   D155       3.10320   0.00057  -0.00810   0.03285   0.02475   3.12795
   D156       0.94810  -0.00002  -0.00813   0.03704   0.02890   0.97700
   D157      -1.05348  -0.00018  -0.00843   0.03182   0.02339  -1.03009
   D158       1.07942  -0.00049  -0.01116   0.02887   0.01771   1.09713
   D159      -1.07569  -0.00107  -0.01120   0.03307   0.02186  -1.05382
   D160      -3.07727  -0.00124  -0.01149   0.02784   0.01635  -3.06091
   D161       2.96330  -0.00147  -0.00516   0.01998   0.01483   2.97813
   D162      -1.18083  -0.00152  -0.00704   0.02297   0.01594  -1.16489
   D163       0.82217  -0.00143  -0.00650   0.02424   0.01774   0.83991
   D164      -1.20336   0.00165  -0.00184   0.01294   0.01110  -1.19226
   D165       0.93570   0.00160  -0.00372   0.01594   0.01221   0.94791
   D166       2.93869   0.00169  -0.00319   0.01720   0.01401   2.95270
   D167       0.83919  -0.00007  -0.00330   0.01824   0.01493   0.85413
   D168       2.97825  -0.00012  -0.00519   0.02123   0.01605   2.99430
   D169      -1.30194  -0.00002  -0.00465   0.02250   0.01785  -1.28409
   D170       1.12689  -0.00061  -0.00249  -0.01224  -0.01471   1.11218
   D171      -1.28316  -0.00162   0.01004  -0.05939  -0.04936  -1.33252
   D172      -1.02090  -0.00002  -0.00130  -0.01271  -0.01400  -1.03490
   D173       2.85223  -0.00103   0.01123  -0.05986  -0.04864   2.80358
   D174      -3.10827   0.00020  -0.00192  -0.01118  -0.01309  -3.12136
   D175       0.76486  -0.00080   0.01061  -0.05834  -0.04773   0.71713
   D176       1.64330   0.00013   0.00026   0.01279   0.01305   1.65634
   D177      -1.50089   0.00013   0.00063   0.01276   0.01339  -1.48750
   D178      -0.49535   0.00001   0.00148   0.01133   0.01281  -0.48255
   D179       2.64365   0.00001   0.00184   0.01131   0.01315   2.65680
   D180      -2.50500  -0.00006   0.00180   0.00782   0.00962  -2.49538
   D181       0.63400  -0.00006   0.00216   0.00780   0.00996   0.64396
   D182       3.13666  -0.00001  -0.00007   0.00011   0.00003   3.13670
   D183      -0.01280   0.00002  -0.00007   0.00046   0.00039  -0.01240
   D184      -0.00236  -0.00001  -0.00044   0.00013  -0.00031  -0.00266
   D185       3.13137   0.00002  -0.00043   0.00048   0.00005   3.13142
   D186      -3.13625   0.00000   0.00001  -0.00009  -0.00008  -3.13633
   D187       0.00562   0.00000  -0.00020  -0.00019  -0.00039   0.00523
   D188       0.00275   0.00001   0.00038  -0.00011   0.00027   0.00302
   D189      -3.13856   0.00000   0.00017  -0.00021  -0.00004  -3.13861
   D190       0.00003   0.00001   0.00020   0.00003   0.00023   0.00026
   D191       3.14042   0.00002   0.00028   0.00001   0.00029   3.14071
   D192      -3.13365  -0.00002   0.00020  -0.00033  -0.00013  -3.13378
   D193       0.00675  -0.00001   0.00028  -0.00036  -0.00008   0.00667
   D194       0.00191   0.00000   0.00009  -0.00022  -0.00012   0.00179
   D195      -3.14050   0.00000   0.00011  -0.00037  -0.00027  -3.14077
   D196      -3.13849  -0.00001   0.00001  -0.00019  -0.00018  -3.13866
   D197       0.00229  -0.00001   0.00003  -0.00035  -0.00032   0.00197
   D198      -0.00151   0.00000  -0.00015   0.00024   0.00009  -0.00142
   D199       3.13968   0.00001   0.00006   0.00019   0.00024   3.13993
   D200       3.14090  -0.00001  -0.00017   0.00040   0.00023   3.14113
   D201      -0.00109   0.00001   0.00004   0.00034   0.00039  -0.00071
   D202      -0.00082   0.00000  -0.00008  -0.00008  -0.00016  -0.00099
   D203       3.14049   0.00001   0.00013   0.00002   0.00015   3.14064
   D204       3.14117  -0.00001  -0.00029  -0.00003  -0.00032   3.14085
   D205      -0.00070  -0.00001  -0.00008   0.00008  -0.00001  -0.00071
   D206       0.59483  -0.00086   0.00430  -0.03513  -0.03085   0.56397
   D207      -2.58458  -0.00422  -0.00273  -0.03080  -0.03356  -2.61814
   D208       2.98507   0.00109  -0.00731   0.01018   0.00289   2.98796
   D209      -0.19434  -0.00228  -0.01434   0.01450   0.00019  -0.19415
   D210       3.06487   0.00140   0.00004  -0.00995  -0.00990   3.05497
   D211      -0.11112  -0.00167  -0.00630  -0.00612  -0.01243  -0.12355
   D212      -1.16149  -0.00386  -0.01695   0.02056   0.00361  -1.15788
   D213       3.01797  -0.00174  -0.01754   0.02781   0.01026   3.02823
   D214       0.99826  -0.00137  -0.02003   0.02937   0.00935   1.00762
   D215      -2.01621   0.00106   0.05690  -0.03733   0.01956  -1.99665
   D216       1.05500   0.00174   0.04170   0.01697   0.05868   1.11367
   D217      -0.05445  -0.00012   0.05903  -0.04976   0.00926  -0.04519
   D218       3.01676   0.00056   0.04382   0.00454   0.04837   3.06513
   D219       2.15718  -0.00112   0.06076  -0.05011   0.01063   2.16781
   D220      -1.05480  -0.00044   0.04555   0.00418   0.04975  -1.00505
   D221       3.09239   0.00052  -0.01509   0.03863   0.02343   3.11583
   D222      -0.06834   0.00067  -0.01011   0.03653   0.02635  -0.04199
   D223       0.01624  -0.00032  -0.00100  -0.01204  -0.01304   0.00321
   D224       3.13870  -0.00018   0.00398  -0.01415  -0.01012   3.12858
   D225      -3.10608   0.00010   0.01476  -0.03280  -0.01819  -3.12427
   D226      -0.02062   0.00040   0.00235   0.01062   0.01298  -0.00764
   D227      -0.00006   0.00000  -0.00154   0.00669   0.00516   0.00510
   D228      -3.12443  -0.00013  -0.00602   0.00857   0.00252  -3.12191
   D229      -0.01648   0.00031   0.00340   0.00196   0.00538  -0.01109
   D230      -3.11055  -0.00018   0.01018  -0.02624  -0.01607  -3.12662
   D231       0.02180  -0.00043  -0.00339  -0.00735  -0.01076   0.01103
   D232       3.11781   0.00003  -0.00995   0.01982   0.00986   3.12767
   D233      -1.12276  -0.00019  -0.00347   0.04742   0.04395  -1.07881
   D234       0.96486  -0.00015  -0.00595   0.05484   0.04889   1.01375
   D235       3.06689  -0.00003  -0.00469   0.05216   0.04747   3.11435
   D236       2.99051   0.00015  -0.00318   0.05140   0.04823   3.03874
   D237      -1.20505   0.00020  -0.00566   0.05882   0.05317  -1.15188
   D238       0.89697   0.00032  -0.00439   0.05614   0.05175   0.94872
   D239       0.91661   0.00015  -0.00182   0.05172   0.04990   0.96650
   D240       3.00423   0.00020  -0.00430   0.05914   0.05484   3.05907
   D241      -1.17693   0.00032  -0.00304   0.05645   0.05341  -1.12352
   D242       2.97252  -0.00010   0.00187   0.00741   0.00929   2.98180
   D243      -1.24198   0.00002   0.00074   0.01233   0.01307  -1.22891
   D244       0.89463  -0.00018   0.00100   0.00669   0.00769   0.90232
   D245      -1.12166  -0.00002   0.00468   0.00129   0.00597  -1.11570
   D246       0.94702   0.00010   0.00354   0.00620   0.00975   0.95677
   D247       3.08363  -0.00010   0.00380   0.00056   0.00437   3.08800
   D248       0.94731   0.00011   0.00362   0.00362   0.00724   0.95454
   D249       3.01599   0.00023   0.00249   0.00853   0.01102   3.02701
   D250      -1.13058   0.00002   0.00274   0.00289   0.00564  -1.12494
   D251       0.00747  -0.00017  -0.00184  -0.00033  -0.00217   0.00530
   D252       3.14083  -0.00001  -0.00059   0.00019  -0.00040   3.14043
         Item               Value     Threshold  Converged?
 Maximum Force            0.008716     0.000450     NO 
 RMS     Force            0.001117     0.000300     NO 
 Maximum Displacement     0.546184     0.001800     NO 
 RMS     Displacement     0.133866     0.001200     NO 
 Predicted change in Energy=-7.369980D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.759955   -2.027709    1.118986
      2          6           0       -9.355577   -1.112703   -0.040821
      3          6           0      -10.203544    0.162295   -0.082471
      4          6           0       -7.902152   -0.769037    0.051840
      5          7           0       -6.968679   -1.077432   -0.815784
      6          6           0       -5.688778   -0.604652   -0.423826
      7          6           0       -4.530964   -0.912663   -1.330236
      8          7           0       -3.893968    0.295524   -1.911258
      9          6           0       -4.744042    0.994840   -2.914802
     10          6           0       -3.071544    1.144869   -1.124519
     11          8           0       -2.861560    2.311810   -1.433563
     12          7           0       -2.448064    0.578825    0.027294
     13          6           0       -1.325405    1.353846    0.599987
     14          6           0       -0.028912    1.083529   -0.192449
     15          8           0        0.226079   -0.004189   -0.703440
     16          7           0        0.856032    2.146267   -0.285387
     17          6           0        2.167168    2.019483   -0.980537
     18          6           0        2.503683    3.346527   -1.697250
     19          6           0        2.598734    4.538103   -0.784646
     20          6           0        1.485244    5.374844   -0.605753
     21          6           0        1.568226    6.482621    0.241811
     22          6           0        2.760372    6.766098    0.915477
     23          6           0        3.873697    5.939685    0.732572
     24          6           0        3.796665    4.831050   -0.114656
     25          6           0        3.264638    1.595512    0.017521
     26          6           0        3.080039    0.141822    0.465607
     27          8           0        2.511967    0.152779    1.793793
     28          6           0        4.406899   -0.656719    0.652064
     29          6           0        5.168343   -0.800588   -0.676126
     30          6           0        6.545880   -1.366398   -0.466776
     31          6           0        6.765661   -2.746189   -0.602477
     32          6           0        8.045536   -3.272129   -0.414094
     33          6           0        9.113109   -2.427813   -0.089427
     34          6           0        8.895364   -1.053745    0.048489
     35          6           0        7.616466   -0.521280   -0.138388
     36          7           0        4.067465   -1.986571    1.245058
     37          6           0        3.279981   -2.859021    0.498315
     38          8           0        3.225319   -3.000886   -0.714170
     39          8           0        2.532373   -3.654182    1.357970
     40          6           0        1.567584   -4.548406    0.713340
     41          6           0        0.502674   -3.764378    0.058749
     42          6           0       -0.836378   -3.670812    0.318553
     43          7           0       -1.551223   -2.780382   -0.510296
     44          6           0       -0.764253   -2.204358   -1.399080
     45         16           0        0.918678   -2.701495   -1.270789
     46          6           0       -1.163626    0.982041    2.102708
     47          6           0       -0.733682   -0.470274    2.301524
     48          6           0       -0.181180    1.936405    2.786784
     49          6           0       -5.656816    0.078460    0.758211
     50         16           0       -7.253953    0.157964    1.433450
     51          1           0      -10.793551   -2.374307    1.000665
     52          1           0       -9.119999   -2.917977    1.168405
     53          1           0       -9.696570   -1.521887    2.089451
     54          1           0       -9.513783   -1.674169   -1.005980
     55          1           0      -10.147452    0.730815    0.853266
     56          1           0       -9.884201    0.830275   -0.892669
     57          1           0      -11.259926   -0.076817   -0.253389
     58          1           0       -3.770537   -1.523905   -0.779248
     59          1           0       -4.866253   -1.563333   -2.179028
     60          1           0       -4.855414    0.344343   -3.797889
     61          1           0       -4.258187    1.935946   -3.237283
     62          1           0       -5.745870    1.239927   -2.526231
     63          1           0       -2.307471   -0.442828    0.052552
     64          1           0       -1.601827    2.446202    0.519322
     65          1           0        0.672932    3.030837    0.184570
     66          1           0        2.058493    1.216262   -1.767983
     67          1           0        1.736021    3.529737   -2.482742
     68          1           0        3.452324    3.219718   -2.259578
     69          1           0        0.556186    5.171248   -1.138010
     70          1           0        0.701365    7.129287    0.373554
     71          1           0        2.823246    7.629375    1.574812
     72          1           0        4.805809    6.162050    1.250403
     73          1           0        4.671406    4.200483   -0.256995
     74          1           0        3.249813    2.251267    0.916231
     75          1           0        4.261251    1.749333   -0.436750
     76          1           0        2.385639   -0.405544   -0.222604
     77          1           0        1.534636   -0.028154    1.743349
     78          1           0        5.056670   -0.138799    1.408541
     79          1           0        4.589284   -1.447012   -1.381579
     80          1           0        5.230039    0.186181   -1.178850
     81          1           0        5.931118   -3.404474   -0.848478
     82          1           0        8.212189   -4.342859   -0.519328
     83          1           0       10.109003   -2.839908    0.055986
     84          1           0        9.723910   -0.395228    0.302509
     85          1           0        7.455529    0.547838   -0.028451
     86          1           0        3.853294   -1.934337    2.251133
     87          1           0        1.217446   -5.128822    1.588539
     88          1           0        2.116670   -5.204961    0.008023
     89          1           0       -1.396189   -4.212147    1.073641
     90          1           0       -1.083216   -1.472134   -2.135863
     91          1           0       -2.175507    1.116869    2.572581
     92          1           0       -1.475480   -1.177260    1.910008
     93          1           0        0.218422   -0.698973    1.791232
     94          1           0       -0.599024   -0.702941    3.365261
     95          1           0       -0.184577    1.785362    3.874763
     96          1           0        0.858006    1.780804    2.458894
     97          1           0       -0.434514    2.987657    2.615563
     98          1           0       -4.806056    0.528233    1.245759
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0818043      0.0285602      0.0230804
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3653.7752790733 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.257958225498     A.U. after   18 cycles
             Convg  =    0.7045D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000015245    0.000191567   -0.000046700
      2        6           0.000027931   -0.000142411   -0.000164244
      3        6          -0.000086355    0.000133702   -0.000178994
      4        6          -0.000013065   -0.000275935   -0.000287904
      5        7          -0.000012927    0.000247797    0.000172519
      6        6           0.000358083   -0.000103918    0.000076447
      7        6          -0.000976158    0.000118733    0.000849579
      8        7           0.000051690    0.000144796   -0.000333353
      9        6          -0.000105572   -0.000034383   -0.000337641
     10        6          -0.000032906    0.001041539    0.000608006
     11        8           0.000449282   -0.000930221   -0.001327102
     12        7           0.000433866    0.001903972    0.000433508
     13        6           0.000257449   -0.000752474   -0.000234316
     14        6          -0.000191421   -0.000859017    0.000104461
     15        8          -0.000784772    0.000511819   -0.000079179
     16        7           0.000407065    0.000408111   -0.000061750
     17        6           0.000353450    0.000351547   -0.000451431
     18        6           0.000051232   -0.000077720    0.000155131
     19        6           0.000136801   -0.000080639   -0.000072376
     20        6          -0.000043554    0.000065976    0.000048365
     21        6          -0.000087839    0.000043519    0.000001611
     22        6          -0.000042792    0.000048066   -0.000031600
     23        6           0.000143030   -0.000023503   -0.000026686
     24        6          -0.000030131    0.000049385   -0.000056320
     25        6          -0.000037931   -0.000400155    0.000885229
     26        6          -0.000880817   -0.000247036   -0.000413391
     27        8          -0.001201544   -0.000684874   -0.000767683
     28        6           0.000746224   -0.000816098   -0.001518746
     29        6          -0.000155753   -0.000209146   -0.000203202
     30        6          -0.000145708    0.000208369    0.000155458
     31        6           0.000259739   -0.000054300   -0.000086132
     32        6          -0.000103760   -0.000166864   -0.000027169
     33        6           0.000007764    0.000089941    0.000036618
     34        6          -0.000004170   -0.000026038    0.000008031
     35        6           0.000061054   -0.000073107   -0.000051859
     36        7          -0.001483433   -0.002144411    0.000746277
     37        6           0.001005388    0.004019413   -0.001465631
     38        8           0.000335262   -0.000362137    0.000867196
     39        8           0.000755230    0.000785253    0.000085574
     40        6           0.000005751   -0.000063502    0.000812916
     41        6          -0.001368396   -0.000671216   -0.001799723
     42        6           0.000035521    0.000141499    0.000385762
     43        7           0.001340421    0.000277951    0.000686249
     44        6          -0.000192530    0.000935444   -0.000611959
     45       16          -0.000399345   -0.001032969    0.000602725
     46        6           0.000409417   -0.000946532   -0.000113613
     47        6          -0.000495709   -0.000366234    0.001099105
     48        6           0.000274407   -0.000001619   -0.000205506
     49        6           0.000181972   -0.000053432   -0.000021287
     50       16          -0.000061287    0.000055349    0.000244458
     51        1          -0.000020581   -0.000097688    0.000010233
     52        1           0.000037728   -0.000031721    0.000042795
     53        1           0.000001006   -0.000017661    0.000140203
     54        1           0.000003565    0.000024548    0.000029420
     55        1           0.000107369   -0.000026827    0.000009618
     56        1           0.000031393    0.000019829    0.000119731
     57        1          -0.000017512   -0.000048914    0.000062014
     58        1          -0.000532327   -0.000028121   -0.000208060
     59        1           0.000092156   -0.000019666   -0.000111207
     60        1          -0.000034857   -0.000083793    0.000090323
     61        1           0.000080927    0.000011975    0.000070667
     62        1           0.000016211   -0.000070894   -0.000065895
     63        1           0.000166521   -0.000147631   -0.000114376
     64        1          -0.000306144   -0.000893872   -0.000181389
     65        1           0.000042164   -0.000270301    0.000003587
     66        1           0.000038370   -0.000356509    0.000198775
     67        1          -0.000034389   -0.000080010    0.000059437
     68        1          -0.000088806    0.000025411    0.000012280
     69        1          -0.000007975    0.000014151    0.000021234
     70        1           0.000016491   -0.000010825    0.000012533
     71        1          -0.000016004    0.000016117    0.000023515
     72        1          -0.000035528    0.000002712    0.000010528
     73        1          -0.000020092    0.000032178    0.000014402
     74        1          -0.000102654    0.000237231   -0.000061250
     75        1          -0.000263829    0.000251200   -0.000114903
     76        1          -0.000198594    0.000161086    0.000155641
     77        1           0.000721849    0.000147159    0.000241592
     78        1           0.000427919   -0.000135055    0.000162457
     79        1          -0.000070588   -0.000050805   -0.000084033
     80        1           0.000115071   -0.000121036   -0.000151874
     81        1           0.000031890   -0.000022717   -0.000050418
     82        1           0.000010013    0.000025594   -0.000000139
     83        1           0.000044433    0.000005238   -0.000020265
     84        1          -0.000001428    0.000008444   -0.000005093
     85        1          -0.000040507   -0.000032654    0.000008477
     86        1           0.000049720   -0.000026995    0.000649840
     87        1           0.000433792    0.000487515    0.001057888
     88        1           0.000006960   -0.000121949   -0.000232184
     89        1           0.000149051   -0.000432727    0.000035803
     90        1           0.000188841   -0.000458841    0.000138922
     91        1          -0.000414169   -0.000170528   -0.000113021
     92        1          -0.000044801    0.000853046   -0.000053531
     93        1           0.000056664    0.000633549    0.000295165
     94        1           0.000085531    0.000232814   -0.000026072
     95        1          -0.000054153    0.000250261   -0.000188386
     96        1           0.000145297    0.000043872    0.000027390
     97        1           0.000014249    0.000068269   -0.000062554
     98        1           0.000024361    0.000031684    0.000050455
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004019413 RMS     0.000497605

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005315395 RMS     0.000717037
 Search for a local minimum.
 Step number  56 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   50   54   55   56
 DE= -5.00D-04 DEPred=-7.37D-04 R= 6.79D-01
 SS=  1.41D+00  RLast= 3.43D-01 DXNew= 7.4444D-01 1.0275D+00
 Trust test= 6.79D-01 RLast= 3.43D-01 DXMaxT set to 7.44D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00134   0.00159   0.00201   0.00243   0.00300
     Eigenvalues ---    0.00374   0.00388   0.00520   0.00604   0.00619
     Eigenvalues ---    0.00737   0.00795   0.00879   0.00942   0.00962
     Eigenvalues ---    0.01001   0.01096   0.01169   0.01184   0.01278
     Eigenvalues ---    0.01288   0.01376   0.01435   0.01444   0.01487
     Eigenvalues ---    0.01516   0.01576   0.01650   0.01746   0.01754
     Eigenvalues ---    0.01860   0.01927   0.02059   0.02085   0.02194
     Eigenvalues ---    0.02203   0.02214   0.02220   0.02257   0.02268
     Eigenvalues ---    0.02290   0.02327   0.02372   0.02388   0.02404
     Eigenvalues ---    0.02410   0.02414   0.02447   0.02475   0.02482
     Eigenvalues ---    0.02485   0.02527   0.02528   0.02629   0.02687
     Eigenvalues ---    0.02720   0.02834   0.02973   0.03338   0.03642
     Eigenvalues ---    0.03844   0.04032   0.04106   0.04180   0.04291
     Eigenvalues ---    0.04542   0.04628   0.04892   0.04944   0.04979
     Eigenvalues ---    0.05129   0.05188   0.05208   0.05329   0.05393
     Eigenvalues ---    0.05429   0.05452   0.05478   0.05526   0.05557
     Eigenvalues ---    0.05605   0.05727   0.05760   0.05813   0.05852
     Eigenvalues ---    0.05865   0.05980   0.05994   0.06104   0.06248
     Eigenvalues ---    0.06482   0.06725   0.06868   0.07061   0.07116
     Eigenvalues ---    0.07519   0.07873   0.08351   0.08579   0.08813
     Eigenvalues ---    0.09214   0.09636   0.09867   0.10220   0.10381
     Eigenvalues ---    0.12088   0.12899   0.13125   0.13199   0.13454
     Eigenvalues ---    0.13746   0.13854   0.14428   0.15444   0.15603
     Eigenvalues ---    0.15683   0.15725   0.15948   0.15972   0.15980
     Eigenvalues ---    0.15987   0.15991   0.15997   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16003   0.16003   0.16004   0.16011
     Eigenvalues ---    0.16024   0.16031   0.16060   0.16083   0.16108
     Eigenvalues ---    0.16179   0.16220   0.16349   0.16871   0.17088
     Eigenvalues ---    0.17254   0.17837   0.17972   0.18549   0.18852
     Eigenvalues ---    0.19258   0.19329   0.20453   0.20644   0.21675
     Eigenvalues ---    0.21816   0.21988   0.22000   0.22001   0.22019
     Eigenvalues ---    0.22026   0.22265   0.22521   0.23052   0.23264
     Eigenvalues ---    0.23439   0.23502   0.23619   0.23754   0.24062
     Eigenvalues ---    0.24303   0.24635   0.24743   0.25001   0.25027
     Eigenvalues ---    0.25046   0.25142   0.25190   0.25565   0.26696
     Eigenvalues ---    0.27660   0.28926   0.29071   0.29487   0.29820
     Eigenvalues ---    0.29923   0.29968   0.30111   0.30282   0.30395
     Eigenvalues ---    0.30558   0.30694   0.30895   0.31340   0.31413
     Eigenvalues ---    0.31428   0.31500   0.31564   0.31659   0.31759
     Eigenvalues ---    0.31896   0.31979   0.32097   0.32311   0.32397
     Eigenvalues ---    0.32562   0.32613   0.32674   0.32773   0.32824
     Eigenvalues ---    0.32854   0.32952   0.33008   0.33066   0.33087
     Eigenvalues ---    0.33147   0.33208   0.33325   0.33406   0.33550
     Eigenvalues ---    0.33577   0.33674   0.33712   0.33728   0.33952
     Eigenvalues ---    0.33967   0.34027   0.34169   0.34211   0.34247
     Eigenvalues ---    0.34364   0.34418   0.34481   0.34529   0.34608
     Eigenvalues ---    0.34715   0.35338   0.36244   0.36294   0.36314
     Eigenvalues ---    0.36376   0.36625   0.36817   0.36934   0.37043
     Eigenvalues ---    0.37309   0.38482   0.38917   0.39341   0.40077
     Eigenvalues ---    0.40878   0.41488   0.42425   0.42602   0.42678
     Eigenvalues ---    0.43068   0.43309   0.43906   0.44522   0.45139
     Eigenvalues ---    0.45229   0.46719   0.47231   0.47578   0.48351
     Eigenvalues ---    0.48463   0.48657   0.48812   0.48971   0.49273
     Eigenvalues ---    0.50171   0.50391   0.50944   0.51267   0.51416
     Eigenvalues ---    0.55571   0.56549   0.58690   0.59215   0.61013
     Eigenvalues ---    0.63334   0.65353   0.76871   0.78583   0.84812
     Eigenvalues ---    1.12236   1.47848   2.284651000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-4.84709585D-04 EMin= 1.34094777D-03
 Quartic linear search produced a step of -0.19538.
 Iteration  1 RMS(Cart)=  0.05497948 RMS(Int)=  0.00029745
 Iteration  2 RMS(Cart)=  0.00081173 RMS(Int)=  0.00000706
 Iteration  3 RMS(Cart)=  0.00000029 RMS(Int)=  0.00000706
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89437   0.00016   0.00006   0.00009   0.00015   2.89453
    R2        2.07220  -0.00008  -0.00005  -0.00010  -0.00015   2.07205
    R3        2.07402  -0.00002  -0.00004   0.00026   0.00022   2.07424
    R4        2.07154   0.00008   0.00005  -0.00007  -0.00002   2.07151
    R5        2.89468  -0.00001  -0.00011   0.00030   0.00019   2.89487
    R6        2.82774   0.00009   0.00000   0.00061   0.00060   2.82834
    R7        2.13113   0.00001   0.00003  -0.00018  -0.00015   2.13097
    R8        2.07179   0.00005   0.00002  -0.00012  -0.00010   2.07169
    R9        2.07405  -0.00013   0.00000  -0.00011  -0.00011   2.07395
   R10        2.07210  -0.00004   0.00003  -0.00022  -0.00019   2.07191
   R11        2.47781   0.00007  -0.00016   0.00066   0.00050   2.47831
   R12        3.37428  -0.00004   0.00021  -0.00034  -0.00014   3.37414
   R13        2.68268   0.00011   0.00021  -0.00064  -0.00043   2.68225
   R14        2.83898   0.00064  -0.00015   0.00184   0.00168   2.84067
   R15        2.58062   0.00015  -0.00025   0.00052   0.00028   2.58089
   R16        2.80487   0.00045  -0.00013  -0.00053  -0.00066   2.80421
   R17        2.11738   0.00026   0.00005  -0.00132  -0.00127   2.11611
   R18        2.11804   0.00001  -0.00013   0.00063   0.00051   2.11855
   R19        2.81485   0.00013  -0.00005  -0.00008  -0.00013   2.81472
   R20        2.68363  -0.00029   0.00002  -0.00205  -0.00203   2.68160
   R21        2.08332  -0.00010  -0.00001  -0.00016  -0.00017   2.08315
   R22        2.09217  -0.00007  -0.00001  -0.00005  -0.00006   2.09210
   R23        2.08274   0.00000   0.00009   0.00001   0.00010   2.08284
   R24        2.31548   0.00165   0.00012   0.00115   0.00128   2.31675
   R25        2.69629   0.00028  -0.00042  -0.00086  -0.00128   2.69502
   R26        2.79590   0.00168  -0.00065   0.00213   0.00148   2.79738
   R27        1.94942  -0.00024   0.00066  -0.00410  -0.00344   1.94598
   R28        2.91650   0.00004  -0.00030   0.00143   0.00113   2.91763
   R29        2.94129   0.00040   0.00010  -0.00025  -0.00015   2.94114
   R30        2.13477   0.00050  -0.00015   0.00129   0.00114   2.13591
   R31        2.32157   0.00084   0.00009   0.00080   0.00089   2.32246
   R32        2.61928   0.00006   0.00004  -0.00107  -0.00103   2.61825
   R33        2.81460  -0.00037   0.00056  -0.00130  -0.00075   2.81386
   R34        1.92423   0.00025   0.00020   0.00001   0.00021   1.92444
   R35        2.92020  -0.00016  -0.00011  -0.00059  -0.00070   2.91950
   R36        2.91552   0.00020   0.00038   0.00035   0.00073   2.91625
   R37        2.13551  -0.00039   0.00010  -0.00080  -0.00069   2.13482
   R38        2.84197  -0.00015   0.00006  -0.00018  -0.00012   2.84185
   R39        2.10420  -0.00010  -0.00006  -0.00045  -0.00051   2.10369
   R40        2.09769   0.00008   0.00011   0.00025   0.00035   2.09805
   R41        2.65370  -0.00015   0.00000  -0.00014  -0.00013   2.65357
   R42        2.65218  -0.00008   0.00006  -0.00021  -0.00014   2.65204
   R43        2.64050  -0.00006   0.00008  -0.00016  -0.00008   2.64042
   R44        2.05963   0.00000  -0.00008   0.00020   0.00012   2.05974
   R45        2.64251  -0.00002  -0.00003   0.00024   0.00020   2.64271
   R46        2.05883   0.00002   0.00000   0.00002   0.00002   2.05885
   R47        2.64285  -0.00008   0.00006  -0.00010  -0.00005   2.64280
   R48        2.05618  -0.00002   0.00003  -0.00006  -0.00003   2.05615
   R49        2.64075  -0.00002   0.00004   0.00003   0.00006   2.64081
   R50        2.05835   0.00002   0.00004  -0.00002   0.00002   2.05837
   R51        2.05542   0.00003   0.00004   0.00010   0.00014   2.05555
   R52        2.89571  -0.00099   0.00073  -0.00206  -0.00133   2.89437
   R53        2.10254  -0.00026   0.00012  -0.00085  -0.00073   2.10181
   R54        2.09006   0.00023   0.00015  -0.00042  -0.00026   2.08979
   R55        2.72992  -0.00047  -0.00002   0.00001  -0.00001   2.72991
   R56        2.94760  -0.00189  -0.00084  -0.00030  -0.00114   2.94646
   R57        2.11737   0.00005  -0.00007   0.00155   0.00148   2.11884
   R58        1.88069   0.00072   0.00021   0.00015   0.00036   1.88105
   R59        2.90587   0.00018   0.00023  -0.00048  -0.00025   2.90562
   R60        2.82535   0.00235   0.00055   0.00384   0.00439   2.82975
   R61        2.12349   0.00004   0.00021  -0.00039  -0.00019   2.12330
   R62        2.84187  -0.00012   0.00027  -0.00060  -0.00033   2.84154
   R63        2.11348  -0.00005   0.00041  -0.00053  -0.00012   2.11337
   R64        2.09602   0.00021  -0.00030   0.00027  -0.00003   2.09599
   R65        2.65272  -0.00029   0.00019  -0.00051  -0.00032   2.65240
   R66        2.65116   0.00008  -0.00001   0.00045   0.00044   2.65159
   R67        2.63898   0.00005   0.00008   0.00006   0.00014   2.63912
   R68        2.06172  -0.00001   0.00003  -0.00022  -0.00020   2.06153
   R69        2.64426  -0.00008  -0.00001  -0.00001  -0.00002   2.64424
   R70        2.05738   0.00001  -0.00001  -0.00007  -0.00008   2.05730
   R71        2.64190   0.00001   0.00001   0.00014   0.00015   2.64205
   R72        2.05518  -0.00005   0.00000  -0.00008  -0.00009   2.05509
   R73        2.64158   0.00000   0.00002  -0.00016  -0.00014   2.64144
   R74        2.05682  -0.00001  -0.00001   0.00009   0.00007   2.05689
   R75        2.05364   0.00000  -0.00004   0.00022   0.00018   2.05382
   R76        2.63135   0.00391   0.00153   0.00439   0.00592   2.63727
   R77        1.94631   0.00055   0.00125  -0.00065   0.00060   1.94691
   R78        2.30921  -0.00094  -0.00016  -0.00019  -0.00035   2.30886
   R79        2.62543   0.00134   0.00084  -0.00334  -0.00250   2.62293
   R80        2.76831  -0.00081   0.00086  -0.00384  -0.00297   2.76533
   R81        2.78837   0.00006   0.00093  -0.00274  -0.00181   2.78656
   R82        2.09193   0.00117  -0.00073   0.00466   0.00393   2.09586
   R83        2.09583  -0.00003   0.00037  -0.00136  -0.00098   2.09485
   R84        2.58369   0.00069   0.00043  -0.00050  -0.00006   2.58362
   R85        3.31131  -0.00055  -0.00091   0.00226   0.00135   3.31265
   R86        2.66636   0.00004  -0.00021   0.00013  -0.00007   2.66629
   R87        2.04980   0.00001  -0.00007   0.00040   0.00033   2.05013
   R88        2.49348   0.00085   0.00023   0.00090   0.00113   2.49461
   R89        3.32498   0.00098   0.00050  -0.00211  -0.00161   3.32337
   R90        2.05341  -0.00003   0.00024  -0.00142  -0.00118   2.05223
   R91        2.88677   0.00179  -0.00052   0.00410   0.00358   2.89034
   R92        2.89318  -0.00046  -0.00027  -0.00025  -0.00053   2.89265
   R93        2.12362  -0.00043  -0.00013  -0.00049  -0.00061   2.12301
   R94        2.07300   0.00077   0.00056   0.00158   0.00214   2.07514
   R95        2.08659  -0.00009  -0.00014   0.00023   0.00009   2.08668
   R96        2.07337  -0.00012  -0.00055   0.00059   0.00004   2.07341
   R97        2.07571  -0.00028   0.00016  -0.00108  -0.00092   2.07479
   R98        2.08010  -0.00015  -0.00014  -0.00015  -0.00029   2.07981
   R99        2.06891   0.00001  -0.00003   0.00011   0.00009   2.06899
   R100       3.28025  -0.00003   0.00026  -0.00041  -0.00015   3.28010
   R101       2.03862  -0.00003   0.00003  -0.00045  -0.00042   2.03821
    A1        1.93475  -0.00001  -0.00008   0.00011   0.00003   1.93478
    A2        1.94415   0.00005   0.00003   0.00026   0.00029   1.94444
    A3        1.95999   0.00013  -0.00007   0.00037   0.00029   1.96029
    A4        1.87347  -0.00001  -0.00001  -0.00018  -0.00018   1.87329
    A5        1.87117  -0.00008   0.00011  -0.00013  -0.00002   1.87114
    A6        1.87624  -0.00010   0.00004  -0.00048  -0.00044   1.87579
    A7        1.95162  -0.00004  -0.00007   0.00023   0.00016   1.95178
    A8        1.92490  -0.00002  -0.00030   0.00038   0.00008   1.92499
    A9        1.88978   0.00000   0.00012  -0.00028  -0.00016   1.88962
   A10        1.92646   0.00011   0.00032   0.00018   0.00050   1.92696
   A11        1.88964  -0.00003  -0.00006  -0.00043  -0.00049   1.88915
   A12        1.87926  -0.00002  -0.00002  -0.00011  -0.00013   1.87913
   A13        1.96070   0.00010   0.00018   0.00016   0.00035   1.96105
   A14        1.94506   0.00001  -0.00004   0.00026   0.00021   1.94527
   A15        1.93483  -0.00004  -0.00006  -0.00024  -0.00030   1.93453
   A16        1.87503  -0.00003  -0.00003  -0.00002  -0.00005   1.87498
   A17        1.87068  -0.00007  -0.00007  -0.00017  -0.00024   1.87045
   A18        1.87336   0.00002   0.00001  -0.00001   0.00000   1.87336
   A19        2.20992  -0.00006   0.00012  -0.00031  -0.00019   2.20973
   A20        2.11735  -0.00006  -0.00012   0.00021   0.00009   2.11743
   A21        1.95591   0.00012   0.00000   0.00012   0.00012   1.95602
   A22        1.96149  -0.00006   0.00003  -0.00028  -0.00025   1.96124
   A23        2.04876   0.00004  -0.00036  -0.00020  -0.00056   2.04820
   A24        2.01162  -0.00011   0.00002   0.00021   0.00023   2.01185
   A25        2.22277   0.00007   0.00034  -0.00001   0.00033   2.22310
   A26        1.98236   0.00035   0.00011   0.00002   0.00013   1.98249
   A27        1.91579   0.00025   0.00000   0.00139   0.00138   1.91718
   A28        1.92344  -0.00007   0.00006  -0.00084  -0.00078   1.92266
   A29        1.92334  -0.00043  -0.00053  -0.00153  -0.00205   1.92129
   A30        1.88019  -0.00018  -0.00003   0.00043   0.00039   1.88059
   A31        1.83250   0.00004   0.00041   0.00054   0.00095   1.83345
   A32        1.98336   0.00113   0.00020   0.00480   0.00497   1.98833
   A33        2.11590  -0.00087  -0.00035   0.00160   0.00120   2.11710
   A34        2.00750  -0.00011   0.00016   0.00272   0.00283   2.01033
   A35        1.89685  -0.00011   0.00006   0.00024   0.00030   1.89715
   A36        1.92290   0.00002  -0.00006   0.00039   0.00033   1.92323
   A37        1.96668   0.00008   0.00007  -0.00070  -0.00063   1.96605
   A38        1.88870   0.00006   0.00014   0.00009   0.00022   1.88893
   A39        1.89842   0.00005   0.00002   0.00018   0.00020   1.89862
   A40        1.88869  -0.00009  -0.00023  -0.00017  -0.00040   1.88829
   A41        2.12835   0.00058   0.00016  -0.00027  -0.00013   2.12822
   A42        2.05219  -0.00188  -0.00057  -0.00058  -0.00117   2.05101
   A43        2.10197   0.00130   0.00035   0.00046   0.00079   2.10276
   A44        2.02221   0.00182   0.00098   0.00112   0.00206   2.02427
   A45        2.06260  -0.00054   0.00033   0.00536   0.00565   2.06825
   A46        1.98875  -0.00123  -0.00062   0.00296   0.00229   1.99105
   A47        1.92510  -0.00156  -0.00101   0.00150   0.00050   1.92560
   A48        1.90440  -0.00030  -0.00121   0.00303   0.00182   1.90622
   A49        1.86838   0.00117   0.00146   0.00144   0.00289   1.87128
   A50        1.94612   0.00117   0.00035  -0.00477  -0.00441   1.94170
   A51        1.91586  -0.00012   0.00029  -0.00015   0.00014   1.91600
   A52        1.90219  -0.00036   0.00016  -0.00080  -0.00065   1.90154
   A53        2.14480  -0.00124  -0.00080   0.00241   0.00161   2.14642
   A54        2.02247   0.00347   0.00203  -0.00392  -0.00189   2.02058
   A55        2.11583  -0.00222  -0.00125   0.00156   0.00031   2.11614
   A56        2.12711  -0.00532  -0.00105   0.00182   0.00075   2.12786
   A57        2.11801   0.00271   0.00028   0.00048   0.00074   2.11876
   A58        2.03493   0.00262   0.00065  -0.00130  -0.00068   2.03425
   A59        1.91247   0.00079  -0.00062   0.00211   0.00148   1.91395
   A60        1.92587   0.00087   0.00136  -0.00042   0.00094   1.92681
   A61        1.87661  -0.00127  -0.00028  -0.00014  -0.00041   1.87620
   A62        1.96180  -0.00047  -0.00044   0.00036  -0.00008   1.96172
   A63        1.88404   0.00039  -0.00008  -0.00025  -0.00033   1.88371
   A64        1.90060  -0.00038   0.00003  -0.00171  -0.00168   1.89891
   A65        1.99625   0.00006   0.00002   0.00046   0.00048   1.99673
   A66        1.89478  -0.00003   0.00005  -0.00008  -0.00003   1.89475
   A67        1.89964  -0.00002  -0.00005   0.00011   0.00006   1.89970
   A68        1.91907  -0.00005   0.00000  -0.00032  -0.00031   1.91876
   A69        1.92187   0.00001   0.00000  -0.00055  -0.00054   1.92132
   A70        1.82411   0.00002  -0.00003   0.00038   0.00034   1.82445
   A71        2.09358  -0.00004  -0.00005   0.00001  -0.00004   2.09354
   A72        2.10483  -0.00007   0.00006  -0.00024  -0.00018   2.10465
   A73        2.08474   0.00011  -0.00001   0.00023   0.00022   2.08496
   A74        2.09737  -0.00006   0.00001  -0.00010  -0.00008   2.09729
   A75        2.09715   0.00001   0.00008  -0.00015  -0.00007   2.09708
   A76        2.08857   0.00005  -0.00010   0.00026   0.00017   2.08873
   A77        2.09852   0.00001   0.00000  -0.00005  -0.00006   2.09847
   A78        2.09055   0.00001   0.00001   0.00001   0.00003   2.09057
   A79        2.09410  -0.00001  -0.00001   0.00004   0.00003   2.09413
   A80        2.08964   0.00002   0.00001   0.00006   0.00006   2.08970
   A81        2.09674   0.00001   0.00000  -0.00007  -0.00007   2.09667
   A82        2.09679  -0.00002  -0.00001   0.00002   0.00001   2.09680
   A83        2.09926  -0.00002   0.00000  -0.00007  -0.00007   2.09919
   A84        2.09258   0.00004  -0.00003   0.00009   0.00006   2.09264
   A85        2.09135  -0.00002   0.00002  -0.00002   0.00000   2.09136
   A86        2.09679  -0.00005  -0.00001  -0.00007  -0.00008   2.09671
   A87        2.09782   0.00000   0.00004  -0.00007  -0.00003   2.09779
   A88        2.08856   0.00005  -0.00003   0.00014   0.00011   2.08867
   A89        1.94354  -0.00225   0.00183  -0.00207  -0.00024   1.94329
   A90        1.92953   0.00179  -0.00045   0.00119   0.00074   1.93027
   A91        1.91459  -0.00039  -0.00038  -0.00055  -0.00092   1.91367
   A92        1.89792  -0.00055  -0.00090   0.00181   0.00092   1.89884
   A93        1.93970   0.00183  -0.00013  -0.00131  -0.00145   1.93826
   A94        1.83568  -0.00026  -0.00011   0.00115   0.00104   1.83673
   A95        1.88497  -0.00178   0.00025  -0.00044  -0.00019   1.88478
   A96        2.00220   0.00308  -0.00004   0.00215   0.00211   2.00432
   A97        1.93745  -0.00024   0.00156  -0.00295  -0.00140   1.93605
   A98        1.80132  -0.00003  -0.00122  -0.00022  -0.00143   1.79989
   A99        1.90151   0.00086  -0.00053   0.00197   0.00144   1.90295
   A100       1.92892  -0.00194  -0.00027  -0.00021  -0.00047   1.92845
   A101       1.91579   0.00052  -0.00009   0.00200   0.00191   1.91770
   A102       1.94537  -0.00112  -0.00048   0.00182   0.00133   1.94669
   A103       1.88562  -0.00140   0.00049  -0.00050  -0.00002   1.88560
   A104       1.91389   0.00132   0.00003  -0.00274  -0.00271   1.91118
   A105       1.95172   0.00194   0.00063   0.00418   0.00481   1.95653
   A106       1.91586  -0.00035   0.00045  -0.00253  -0.00208   1.91378
   A107       1.84859  -0.00033  -0.00115  -0.00042  -0.00157   1.84702
   A108       1.94824  -0.00002   0.00002  -0.00002   0.00000   1.94824
   A109       1.92039   0.00014   0.00008   0.00087   0.00095   1.92133
   A110       1.91324  -0.00012   0.00039  -0.00218  -0.00179   1.91146
   A111       1.92262  -0.00007  -0.00022   0.00173   0.00151   1.92413
   A112       1.92502   0.00009   0.00022  -0.00028  -0.00006   1.92497
   A113       1.83083  -0.00002  -0.00051  -0.00015  -0.00066   1.83017
   A114       2.09413  -0.00020  -0.00028   0.00127   0.00099   2.09513
   A115       2.10012   0.00009   0.00028  -0.00109  -0.00081   2.09931
   A116       2.08893   0.00012   0.00000  -0.00018  -0.00019   2.08874
   A117       2.09513  -0.00005  -0.00001   0.00004   0.00002   2.09515
   A118       2.08875  -0.00003  -0.00009   0.00062   0.00053   2.08928
   A119       2.09928   0.00008   0.00010  -0.00065  -0.00055   2.09873
   A120       2.09819   0.00002  -0.00003   0.00017   0.00014   2.09833
   A121       2.09168  -0.00003   0.00004  -0.00023  -0.00019   2.09149
   A122       2.09331   0.00001  -0.00001   0.00006   0.00005   2.09336
   A123       2.09106   0.00001   0.00003  -0.00008  -0.00005   2.09101
   A124       2.09558   0.00000  -0.00001   0.00010   0.00008   2.09566
   A125       2.09654  -0.00001  -0.00002  -0.00001  -0.00003   2.09651
   A126       2.09866  -0.00003   0.00004  -0.00020  -0.00016   2.09850
   A127       2.09337   0.00001  -0.00006   0.00006   0.00000   2.09337
   A128       2.09116   0.00002   0.00002   0.00014   0.00016   2.09131
   A129       2.09439  -0.00008  -0.00002   0.00026   0.00024   2.09463
   A130       2.09821   0.00009  -0.00008  -0.00022  -0.00030   2.09791
   A131       2.09059  -0.00002   0.00010  -0.00004   0.00006   2.09065
   A132       2.06348   0.00093  -0.00009   0.00468   0.00462   2.06810
   A133       1.97092   0.00030  -0.00175   0.00135  -0.00037   1.97055
   A134       2.02420  -0.00172  -0.00259   0.00024  -0.00232   2.02188
   A135       2.25254   0.00117   0.00025  -0.00063  -0.00039   2.25216
   A136       1.90826  -0.00146   0.00011  -0.00079  -0.00069   1.90757
   A137       2.12168   0.00031  -0.00034   0.00115   0.00081   2.12248
   A138       2.01693   0.00070  -0.00098   0.00808   0.00710   2.02404
   A139       1.92429  -0.00238  -0.00161   0.00937   0.00777   1.93206
   A140       1.75225   0.00134   0.00209  -0.00566  -0.00357   1.74868
   A141       1.89141   0.00047  -0.00059   0.00024  -0.00035   1.89106
   A142       1.98347  -0.00037   0.00077  -0.00413  -0.00336   1.98010
   A143       1.97114   0.00102   0.00024  -0.00280  -0.00256   1.96858
   A144       1.92729  -0.00008  -0.00082   0.00314   0.00232   1.92961
   A145       2.29015  -0.00169   0.00034  -0.00510  -0.00473   2.28542
   A146       2.08010   0.00148  -0.00098   0.00687   0.00593   2.08603
   A147       1.91260   0.00020   0.00036  -0.00140  -0.00103   1.91156
   A148       2.01280   0.00039  -0.00018   0.00163   0.00143   2.01423
   A149       2.21879  -0.00012  -0.00008   0.00009   0.00001   2.21880
   A150       2.05149  -0.00027   0.00025  -0.00166  -0.00140   2.05009
   A151       1.94874  -0.00073  -0.00009  -0.00162  -0.00173   1.94701
   A152       1.98014   0.00032  -0.00002   0.00117   0.00113   1.98127
   A153       2.18441  -0.00030  -0.00032   0.00004  -0.00028   2.18413
   A154       2.11834  -0.00004   0.00020  -0.00140  -0.00121   2.11714
   A155       1.57043  -0.00019  -0.00012   0.00009  -0.00006   1.57037
   A156       1.96277   0.00019   0.00014  -0.00075  -0.00060   1.96217
   A157       1.92749  -0.00056   0.00045  -0.00348  -0.00303   1.92446
   A158       1.85608   0.00011  -0.00075   0.00181   0.00105   1.85713
   A159       1.93251   0.00067   0.00019   0.00363   0.00382   1.93632
   A160       1.88922  -0.00042  -0.00051   0.00138   0.00087   1.89009
   A161       1.89251  -0.00002   0.00044  -0.00267  -0.00224   1.89027
   A162       1.95621   0.00003  -0.00029  -0.00060  -0.00088   1.95533
   A163       1.96000   0.00077   0.00005   0.00213   0.00217   1.96217
   A164       1.94156   0.00007  -0.00023   0.00388   0.00364   1.94521
   A165       1.85944  -0.00061  -0.00062  -0.00157  -0.00219   1.85725
   A166       1.86748  -0.00011   0.00081  -0.00711  -0.00629   1.86119
   A167       1.87372  -0.00022   0.00032   0.00276   0.00306   1.87678
   A168       1.93357  -0.00015  -0.00032   0.00011  -0.00021   1.93336
   A169       1.96557  -0.00001   0.00002   0.00055   0.00056   1.96613
   A170       1.96080  -0.00006   0.00010  -0.00015  -0.00005   1.96075
   A171       1.85306   0.00006  -0.00042   0.00106   0.00064   1.85370
   A172       1.86108   0.00014  -0.00013   0.00008  -0.00005   1.86103
   A173       1.88347   0.00004   0.00073  -0.00164  -0.00090   1.88257
   A174       1.91568   0.00011   0.00003  -0.00009  -0.00007   1.91561
   A175       2.23725  -0.00002   0.00047  -0.00024   0.00023   2.23748
   A176       2.13023  -0.00009  -0.00050   0.00035  -0.00014   2.13009
   A177       1.58004  -0.00006  -0.00008   0.00009   0.00001   1.58005
    D1        1.09944  -0.00008   0.00325   0.00113   0.00439   1.10383
    D2       -3.03309   0.00002   0.00341   0.00180   0.00521  -3.02789
    D3       -0.98095  -0.00001   0.00329   0.00171   0.00500  -0.97595
    D4       -3.09880  -0.00006   0.00321   0.00116   0.00437  -3.09444
    D5       -0.94815   0.00004   0.00336   0.00182   0.00518  -0.94297
    D6        1.10399   0.00000   0.00324   0.00173   0.00498   1.10897
    D7       -0.99314  -0.00006   0.00323   0.00098   0.00420  -0.98894
    D8        1.15751   0.00003   0.00338   0.00164   0.00502   1.16253
    D9       -3.07354   0.00000   0.00326   0.00155   0.00481  -3.06872
   D10        0.99953   0.00000   0.00174   0.00105   0.00278   1.00232
   D11        3.10478   0.00004   0.00179   0.00132   0.00311   3.10789
   D12       -1.09296   0.00005   0.00174   0.00132   0.00306  -1.08991
   D13       -1.15024  -0.00003   0.00193   0.00027   0.00220  -1.14804
   D14        0.95500   0.00001   0.00199   0.00054   0.00253   0.95753
   D15        3.04045   0.00002   0.00194   0.00054   0.00247   3.04292
   D16        3.08001  -0.00005   0.00181   0.00056   0.00237   3.08238
   D17       -1.09793  -0.00001   0.00187   0.00083   0.00270  -1.09524
   D18        0.98751   0.00000   0.00182   0.00083   0.00265   0.99016
   D19        2.04189  -0.00006  -0.00333   0.00167  -0.00166   2.04023
   D20       -1.10465   0.00005  -0.00331   0.00648   0.00317  -1.10149
   D21       -2.07605  -0.00005  -0.00340   0.00235  -0.00105  -2.07710
   D22        1.06059   0.00006  -0.00337   0.00715   0.00378   1.06437
   D23       -0.01673  -0.00003  -0.00330   0.00186  -0.00144  -0.01817
   D24        3.11991   0.00008  -0.00328   0.00667   0.00339   3.12330
   D25       -3.13704  -0.00003   0.00023   0.00047   0.00070  -3.13635
   D26        0.00912  -0.00013   0.00020  -0.00396  -0.00376   0.00536
   D27        3.13738   0.00004  -0.00039   0.00051   0.00012   3.13750
   D28       -0.00850   0.00013  -0.00037   0.00467   0.00430  -0.00420
   D29        3.12769   0.00003  -0.00027   0.00077   0.00050   3.12820
   D30       -0.00519   0.00005   0.00013   0.00088   0.00102  -0.00418
   D31        2.03718  -0.00001   0.00420  -0.03034  -0.02614   2.01104
   D32       -2.08421  -0.00013   0.00359  -0.03126  -0.02768  -2.11188
   D33       -0.07422   0.00003   0.00412  -0.03029  -0.02618  -0.10039
   D34       -1.11432  -0.00004   0.00374  -0.03046  -0.02673  -1.14105
   D35        1.04748  -0.00016   0.00313  -0.03139  -0.02826   1.01922
   D36        3.05747   0.00000   0.00366  -0.03042  -0.02676   3.03071
   D37       -0.00141   0.00005  -0.00041   0.00268   0.00228   0.00087
   D38       -3.13603  -0.00005  -0.00003  -0.00075  -0.00078  -3.13681
   D39       -3.13327   0.00008   0.00004   0.00281   0.00285  -3.13042
   D40        0.01529  -0.00003   0.00042  -0.00063  -0.00020   0.01509
   D41       -1.21814  -0.00019  -0.00077  -0.01969  -0.02047  -1.23860
   D42        1.28894   0.00006  -0.00069  -0.00412  -0.00480   1.28413
   D43        2.90736  -0.00045  -0.00045  -0.02036  -0.02080   2.88656
   D44       -0.86875  -0.00020  -0.00036  -0.00478  -0.00514  -0.87389
   D45        0.91736  -0.00019  -0.00064  -0.02044  -0.02108   0.89628
   D46       -2.85875   0.00007  -0.00056  -0.00486  -0.00542  -2.86417
   D47       -1.17009  -0.00005  -0.00143   0.00865   0.00724  -1.16285
   D48        3.04648  -0.00006  -0.00159   0.00818   0.00659   3.05307
   D49        0.93529  -0.00002  -0.00130   0.00859   0.00730   0.94259
   D50        2.56514   0.00004  -0.00131  -0.00543  -0.00674   2.55839
   D51        0.49851   0.00003  -0.00147  -0.00590  -0.00739   0.49113
   D52       -1.61267   0.00007  -0.00118  -0.00549  -0.00668  -1.61935
   D53       -2.75915  -0.00100  -0.00305  -0.01886  -0.02190  -2.78105
   D54        0.42178  -0.00102  -0.00136  -0.00755  -0.00890   0.41288
   D55       -0.26018  -0.00033  -0.00296  -0.00239  -0.00535  -0.26553
   D56        2.92076  -0.00035  -0.00126   0.00892   0.00765   2.92840
   D57        2.85567  -0.00103  -0.00477  -0.01898  -0.02374   2.83193
   D58        0.40379  -0.00064  -0.00552  -0.03351  -0.03905   0.36475
   D59       -0.24720  -0.00102  -0.00310  -0.00784  -0.01092  -0.25812
   D60       -2.69908  -0.00064  -0.00385  -0.02237  -0.02623  -2.72531
   D61       -1.41702   0.00014  -0.00262   0.00347   0.00084  -1.41617
   D62        2.72274  -0.00012  -0.00161   0.00644   0.00483   2.72757
   D63        0.66666  -0.00018  -0.00196   0.00499   0.00302   0.66968
   D64        1.06380  -0.00003  -0.00156   0.01837   0.01681   1.08060
   D65       -1.07963  -0.00028  -0.00056   0.02134   0.02079  -1.05884
   D66       -3.13571  -0.00034  -0.00090   0.01989   0.01899  -3.11673
   D67       -0.58713   0.00051   0.00240   0.00167   0.00407  -0.58306
   D68        2.56785  -0.00006   0.00387  -0.00207   0.00180   2.56965
   D69        1.53169  -0.00014   0.00041   0.00333   0.00374   1.53543
   D70       -1.59652  -0.00072   0.00188  -0.00040   0.00148  -1.59504
   D71       -2.64176   0.00008   0.00104  -0.00090   0.00014  -2.64162
   D72        0.51322  -0.00049   0.00251  -0.00464  -0.00212   0.51109
   D73        1.14690  -0.00135  -0.01032   0.00953  -0.00078   1.14612
   D74       -2.96787  -0.00076  -0.00963   0.01111   0.00148  -2.96639
   D75       -0.91803  -0.00101  -0.00930   0.00714  -0.00216  -0.92019
   D76       -0.98390   0.00005  -0.00846   0.00870   0.00025  -0.98365
   D77        1.18451   0.00063  -0.00777   0.01028   0.00251   1.18702
   D78       -3.04883   0.00038  -0.00744   0.00631  -0.00113  -3.04996
   D79       -3.10160  -0.00032  -0.00916   0.01249   0.00333  -3.09827
   D80       -0.93319   0.00027  -0.00847   0.01407   0.00560  -0.92760
   D81        1.11665   0.00002  -0.00815   0.01010   0.00195   1.11861
   D82        3.10599   0.00102  -0.00379   0.01040   0.00661   3.11260
   D83        0.05225   0.00065  -0.00227  -0.00345  -0.00572   0.04653
   D84       -0.02247   0.00044  -0.00235   0.00672   0.00438  -0.01809
   D85       -3.07620   0.00008  -0.00083  -0.00712  -0.00795  -3.08415
   D86        2.52253  -0.00035   0.01009  -0.01812  -0.00802   2.51451
   D87       -1.59152   0.00020   0.01003  -0.01649  -0.00645  -1.59797
   D88        0.47910  -0.00053   0.01067  -0.01888  -0.00820   0.47090
   D89       -0.70296   0.00002   0.00863  -0.00482   0.00381  -0.69915
   D90        1.46617   0.00057   0.00857  -0.00319   0.00538   1.47155
   D91       -2.74639  -0.00015   0.00921  -0.00558   0.00363  -2.74276
   D92        1.04151   0.00072  -0.00106  -0.00451  -0.00556   1.03595
   D93       -1.10855   0.00076  -0.00112  -0.00435  -0.00547  -1.11402
   D94       -3.08424   0.00076  -0.00108  -0.00481  -0.00589  -3.09013
   D95       -1.10651  -0.00065  -0.00205  -0.00574  -0.00779  -1.11431
   D96        3.02661  -0.00061  -0.00211  -0.00559  -0.00770   3.01891
   D97        1.05092  -0.00061  -0.00207  -0.00605  -0.00812   1.04280
   D98        3.08027  -0.00015  -0.00177  -0.00367  -0.00544   3.07484
   D99        0.93021  -0.00010  -0.00183  -0.00351  -0.00534   0.92487
   D100      -1.04548  -0.00011  -0.00179  -0.00397  -0.00576  -1.05124
   D101       1.23424  -0.00235   0.00249  -0.01458  -0.01209   1.22214
   D102      -0.87767  -0.00135   0.00270  -0.01630  -0.01360  -0.89127
   D103      -2.89431  -0.00184   0.00332  -0.01807  -0.01475  -2.90906
   D104      -2.90845  -0.00102   0.00236  -0.01191  -0.00955  -2.91800
   D105       1.26282  -0.00003   0.00258  -0.01363  -0.01105   1.25177
   D106      -0.75381  -0.00051   0.00319  -0.01540  -0.01221  -0.76602
   D107      -0.82167  -0.00108   0.00201  -0.01314  -0.01113  -0.83280
   D108      -2.93358  -0.00009   0.00222  -0.01486  -0.01263  -2.94622
   D109       1.33297  -0.00057   0.00284  -0.01662  -0.01379   1.31918
   D110      -1.66452   0.00007  -0.00179   0.00187   0.00008  -1.66444
   D111       1.48604   0.00006  -0.00174   0.00122  -0.00052   1.48552
   D112       0.47237   0.00004  -0.00171   0.00186   0.00015   0.47252
   D113      -2.66025   0.00003  -0.00166   0.00120  -0.00045  -2.66070
   D114       2.47321   0.00005  -0.00174   0.00182   0.00008   2.47329
   D115      -0.65941   0.00004  -0.00169   0.00117  -0.00052  -0.65994
   D116       3.14080  -0.00001   0.00009  -0.00055  -0.00046   3.14034
   D117      -0.01553   0.00001  -0.00005   0.00024   0.00019  -0.01535
   D118      -0.00966   0.00000   0.00005   0.00009   0.00014  -0.00952
   D119       3.11719   0.00002  -0.00010   0.00088   0.00078   3.11797
   D120      -3.14002   0.00001  -0.00010   0.00047   0.00038  -3.13964
   D121       0.00849   0.00000  -0.00017   0.00025   0.00008   0.00857
   D122       0.01050   0.00000  -0.00005  -0.00017  -0.00022   0.01028
   D123      -3.12418  -0.00001  -0.00012  -0.00039  -0.00052  -3.12470
   D124       0.00156   0.00000  -0.00002   0.00007   0.00005   0.00162
   D125       3.13831   0.00001  -0.00002   0.00046   0.00045   3.13876
   D126      -3.12536  -0.00001   0.00013  -0.00071  -0.00059  -3.12595
   D127       0.01139   0.00000   0.00013  -0.00032  -0.00019   0.01120
   D128       0.00574   0.00000  -0.00001  -0.00015  -0.00016   0.00558
   D129       3.14122   0.00001   0.00001   0.00045   0.00046  -3.14151
   D130      -3.13100  -0.00002  -0.00001  -0.00055  -0.00056  -3.13155
   D131       0.00448   0.00000   0.00001   0.00006   0.00007   0.00454
   D132      -0.00490   0.00000   0.00001   0.00007   0.00008  -0.00482
   D133       3.13394   0.00001   0.00001   0.00037   0.00038   3.13432
   D134      -3.14037  -0.00002  -0.00001  -0.00053  -0.00054  -3.14091
   D135      -0.00153  -0.00001  -0.00002  -0.00023  -0.00024  -0.00177
   D136      -0.00326   0.00000   0.00002   0.00010   0.00011  -0.00315
   D137       3.13146   0.00001   0.00010   0.00031   0.00041   3.13187
   D138       3.14108  -0.00001   0.00002  -0.00021  -0.00019   3.14090
   D139      -0.00739   0.00000   0.00010   0.00001   0.00011  -0.00728
   D140      -1.79905  -0.00097  -0.00331  -0.00982  -0.01313  -1.81218
   D141       2.48644  -0.00151  -0.00195  -0.01048  -0.01243   2.47401
   D142       0.28444  -0.00117  -0.00289  -0.00942  -0.01231   0.27212
   D143       0.33126  -0.00055  -0.00330  -0.00844  -0.01174   0.31952
   D144      -1.66644  -0.00110  -0.00194  -0.00910  -0.01104  -1.67748
   D145       2.41474  -0.00075  -0.00288  -0.00805  -0.01092   2.40382
   D146       2.34387  -0.00017  -0.00404  -0.00671  -0.01075   2.33313
   D147       0.34618  -0.00071  -0.00267  -0.00737  -0.01004   0.33613
   D148      -1.85583  -0.00037  -0.00361  -0.00632  -0.00993  -1.86576
   D149       1.76354  -0.00124  -0.01171   0.00563  -0.00608   1.75746
   D150      -2.39275   0.00146  -0.01227   0.00778  -0.00449  -2.39724
   D151      -0.34255  -0.00040  -0.01342   0.00830  -0.00512  -0.34767
   D152      -1.10928  -0.00034  -0.00533   0.02678   0.02145  -1.08783
   D153       3.02296  -0.00108  -0.00614   0.02071   0.01456   3.03752
   D154       1.01586  -0.00061  -0.00507   0.02292   0.01785   1.03371
   D155       3.12795   0.00029  -0.00484   0.02637   0.02154  -3.13370
   D156       0.97700  -0.00045  -0.00565   0.02030   0.01465   0.99166
   D157      -1.03009   0.00001  -0.00457   0.02251   0.01794  -1.01215
   D158       1.09713   0.00018  -0.00346   0.02431   0.02085   1.11797
   D159      -1.05382  -0.00056  -0.00427   0.01823   0.01396  -1.03986
   D160      -3.06091  -0.00010  -0.00319   0.02044   0.01725  -3.04367
   D161       2.97813   0.00067  -0.00290   0.00098  -0.00192   2.97621
   D162      -1.16489   0.00066  -0.00311   0.00379   0.00067  -1.16422
   D163       0.83991   0.00065  -0.00347   0.00286  -0.00061   0.83930
   D164      -1.19226  -0.00056  -0.00217   0.00454   0.00237  -1.18988
   D165       0.94791  -0.00057  -0.00239   0.00735   0.00497   0.95288
   D166       2.95270  -0.00059  -0.00274   0.00642   0.00369   2.95639
   D167       0.85413  -0.00001  -0.00292   0.00496   0.00204   0.85617
   D168       2.99430  -0.00002  -0.00314   0.00777   0.00463   2.99893
   D169      -1.28409  -0.00004  -0.00349   0.00684   0.00336  -1.28074
   D170       1.11218  -0.00272   0.00287  -0.02652  -0.02365   1.08853
   D171      -1.33252  -0.00136   0.00964  -0.03482  -0.02517  -1.35769
   D172      -1.03490  -0.00161   0.00273  -0.03117  -0.02844  -1.06334
   D173       2.80358  -0.00024   0.00950  -0.03947  -0.02996   2.77362
   D174      -3.12136  -0.00205   0.00256  -0.03016  -0.02760   3.13422
   D175       0.71713  -0.00069   0.00933  -0.03846  -0.02913   0.68800
   D176       1.65634   0.00009  -0.00255   0.00100  -0.00155   1.65479
   D177      -1.48750   0.00009  -0.00262   0.00051  -0.00211  -1.48961
   D178      -0.48255  -0.00002  -0.00250  -0.00132  -0.00383  -0.48637
   D179       2.65680  -0.00003  -0.00257  -0.00181  -0.00438   2.65241
   D180      -2.49538  -0.00001  -0.00188  -0.00199  -0.00387  -2.49925
   D181       0.64396  -0.00001  -0.00195  -0.00248  -0.00443   0.63954
   D182       3.13670  -0.00001  -0.00001   0.00005   0.00004   3.13674
   D183      -0.01240   0.00001  -0.00008   0.00150   0.00142  -0.01099
   D184      -0.00266   0.00000   0.00006   0.00053   0.00059  -0.00207
   D185       3.13142   0.00002  -0.00001   0.00198   0.00197   3.13340
   D186      -3.13633   0.00000   0.00001  -0.00008  -0.00006  -3.13639
   D187       0.00523   0.00001   0.00008   0.00008   0.00016   0.00539
   D188       0.00302   0.00000  -0.00005  -0.00056  -0.00062   0.00241
   D189      -3.13861   0.00000   0.00001  -0.00041  -0.00040  -3.13900
   D190       0.00026   0.00000  -0.00005  -0.00015  -0.00019   0.00007
   D191       3.14071   0.00001  -0.00006   0.00023   0.00017   3.14089
   D192      -3.13378  -0.00001   0.00003  -0.00161  -0.00158  -3.13536
   D193       0.00667  -0.00001   0.00001  -0.00123  -0.00122   0.00546
   D194       0.00179   0.00000   0.00002  -0.00021  -0.00019   0.00160
   D195      -3.14077   0.00001   0.00005   0.00008   0.00013  -3.14064
   D196      -3.13866  -0.00001   0.00003  -0.00059  -0.00056  -3.13922
   D197       0.00197   0.00000   0.00006  -0.00030  -0.00024   0.00173
   D198      -0.00142   0.00000  -0.00002   0.00018   0.00017  -0.00126
   D199       3.13993   0.00001  -0.00005   0.00036   0.00031   3.14024
   D200       3.14113  -0.00001  -0.00005  -0.00011  -0.00015   3.14098
   D201      -0.00071   0.00000  -0.00008   0.00007  -0.00001  -0.00071
   D202      -0.00099   0.00000   0.00003   0.00021   0.00024  -0.00075
   D203       3.14064   0.00000  -0.00003   0.00005   0.00002   3.14066
   D204       3.14085   0.00000   0.00006   0.00003   0.00009   3.14094
   D205      -0.00071  -0.00001   0.00000  -0.00013  -0.00013  -0.00084
   D206       0.56397  -0.00054   0.00603   0.00659   0.01263   0.57661
   D207      -2.61814   0.00030   0.00656  -0.00094   0.00563  -2.61251
   D208       2.98796  -0.00112  -0.00056   0.01564   0.01507   3.00303
   D209      -0.19415  -0.00028  -0.00004   0.00811   0.00806  -0.18609
   D210       3.05497  -0.00252   0.00193   0.01280   0.01473   3.06971
   D211      -0.12355  -0.00172   0.00243   0.00589   0.00832  -0.11523
   D212      -1.15788  -0.00129  -0.00071   0.01119   0.01049  -1.14739
   D213       3.02823  -0.00056  -0.00200   0.01495   0.01295   3.04118
   D214       1.00762  -0.00125  -0.00183   0.01395   0.01212   1.01974
   D215      -1.99665  -0.00010  -0.00382  -0.03723  -0.04105  -2.03770
   D216       1.11367  -0.00054  -0.01146  -0.02057  -0.03203   1.08164
   D217      -0.04519  -0.00014  -0.00181  -0.04077  -0.04259  -0.08778
   D218       3.06513  -0.00058  -0.00945  -0.02411  -0.03356   3.03156
   D219       2.16781   0.00032  -0.00208  -0.04237  -0.04444   2.12337
   D220      -1.00505  -0.00012  -0.00972  -0.02570  -0.03542  -1.04047
   D221       3.11583  -0.00009  -0.00458   0.01819   0.01360   3.12942
   D222      -0.04199   0.00009  -0.00515   0.02204   0.01689  -0.02510
   D223       0.00321   0.00030   0.00255   0.00262   0.00516   0.00837
   D224       3.12858   0.00048   0.00198   0.00648   0.00845   3.13704
   D225      -3.12427   0.00003   0.00355  -0.02027  -0.01674  -3.14100
   D226      -0.00764  -0.00036  -0.00254  -0.00707  -0.00960  -0.01724
   D227       0.00510  -0.00003  -0.00101   0.00534   0.00433   0.00943
   D228      -3.12191  -0.00019  -0.00049   0.00186   0.00136  -3.12055
   D229      -0.01109  -0.00026  -0.00105  -0.01089  -0.01194  -0.02303
   D230      -3.12662   0.00049   0.00314  -0.00254   0.00061  -3.12602
   D231       0.01103   0.00037   0.00210   0.01059   0.01270   0.02373
   D232       3.12767  -0.00036  -0.00193   0.00262   0.00070   3.12838
   D233      -1.07881   0.00006  -0.00859   0.03394   0.02536  -1.05345
   D234       1.01375  -0.00017  -0.00955   0.03299   0.02344   1.03719
   D235       3.11435   0.00013  -0.00927   0.04074   0.03147  -3.13736
   D236       3.03874   0.00014  -0.00942   0.03630   0.02688   3.06562
   D237      -1.15188  -0.00008  -0.01039   0.03535   0.02496  -1.12692
   D238       0.94872   0.00022  -0.01011   0.04310   0.03300   0.98172
   D239       0.96650   0.00003  -0.00975   0.03660   0.02685   0.99335
   D240       3.05907  -0.00019  -0.01071   0.03565   0.02493   3.08399
   D241      -1.12352   0.00010  -0.01044   0.04340   0.03296  -1.09055
   D242       2.98180  -0.00014  -0.00181  -0.00501  -0.00682   2.97499
   D243      -1.22891  -0.00017  -0.00255  -0.00322  -0.00577  -1.23469
   D244       0.90232  -0.00018  -0.00150  -0.00508  -0.00658   0.89574
   D245      -1.11570   0.00018  -0.00117  -0.00587  -0.00704  -1.12274
   D246       0.95677   0.00014  -0.00190  -0.00409  -0.00599   0.95078
   D247       3.08800   0.00014  -0.00085  -0.00595  -0.00680   3.08120
   D248       0.95454   0.00005  -0.00141  -0.00370  -0.00512   0.94942
   D249       3.02701   0.00002  -0.00215  -0.00192  -0.00408   3.02293
   D250      -1.12494   0.00001  -0.00110  -0.00378  -0.00488  -1.12983
   D251       0.00530  -0.00010   0.00042  -0.00398  -0.00356   0.00174
   D252       3.14043   0.00000   0.00008  -0.00080  -0.00073   3.13970
         Item               Value     Threshold  Converged?
 Maximum Force            0.005315     0.000450     NO 
 RMS     Force            0.000717     0.000300     NO 
 Maximum Displacement     0.247776     0.001800     NO 
 RMS     Displacement     0.055008     0.001200     NO 
 Predicted change in Energy=-2.902042D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.730287   -2.044565    1.025142
      2          6           0       -9.315637   -1.085957   -0.095257
      3          6           0      -10.157200    0.194068   -0.090262
      4          6           0       -7.860515   -0.754266    0.017394
      5          7           0       -6.924500   -1.034456   -0.857423
      6          6           0       -5.644052   -0.585210   -0.441143
      7          6           0       -4.483398   -0.864633   -1.354632
      8          7           0       -3.858670    0.360240   -1.912695
      9          6           0       -4.699502    1.060390   -2.923316
     10          6           0       -3.048836    1.205709   -1.110802
     11          8           0       -2.833475    2.374255   -1.412673
     12          7           0       -2.431523    0.629965    0.038686
     13          6           0       -1.297160    1.387624    0.613565
     14          6           0       -0.004256    1.102516   -0.180715
     15          8           0        0.235649    0.014873   -0.700231
     16          7           0        0.894068    2.153836   -0.266752
     17          6           0        2.200170    2.017861   -0.968759
     18          6           0        2.546856    3.343176   -1.683019
     19          6           0        2.650901    4.532850   -0.769020
     20          6           0        1.543831    5.377763   -0.589248
     21          6           0        1.635072    6.483499    0.260061
     22          6           0        2.829290    6.756709    0.934522
     23          6           0        3.936213    5.921966    0.750783
     24          6           0        3.850800    4.815229   -0.098174
     25          6           0        3.299557    1.578200    0.020962
     26          6           0        3.093767    0.130088    0.475423
     27          8           0        2.554817    0.155336    1.815490
     28          6           0        4.404784   -0.698387    0.636596
     29          6           0        5.152605   -0.837281   -0.699683
     30          6           0        6.520355   -1.432550   -0.510036
     31          6           0        6.713156   -2.814111   -0.665560
     32          6           0        7.984583   -3.366209   -0.495138
     33          6           0        9.070606   -2.546356   -0.169008
     34          6           0        8.879956   -1.170262   -0.011750
     35          6           0        7.609740   -0.611823   -0.180623
     36          7           0        4.043554   -2.028914    1.221001
     37          6           0        3.203223   -2.870700    0.491007
     38          8           0        3.110366   -3.003663   -0.719977
     39          8           0        2.459495   -3.648694    1.367435
     40          6           0        1.457684   -4.522822    0.756150
     41          6           0        0.394530   -3.727918    0.114103
     42          6           0       -0.943392   -3.639494    0.381250
     43          7           0       -1.667484   -2.750707   -0.441246
     44          6           0       -0.887649   -2.174351   -1.336965
     45         16           0        0.799593   -2.654145   -1.210993
     46          6           0       -1.133613    1.005653    2.113458
     47          6           0       -0.720750   -0.454972    2.301885
     48          6           0       -0.138210    1.947884    2.794993
     49          6           0       -5.613585    0.050067    0.767479
     50         16           0       -7.212694    0.108681    1.439974
     51          1           0      -10.763374   -2.384481    0.885628
     52          1           0       -9.092150   -2.937426    1.045115
     53          1           0       -9.673542   -1.577190    2.015085
     54          1           0       -9.472293   -1.607514   -1.082708
     55          1           0      -10.101163    0.726289    0.866531
     56          1           0       -9.832660    0.890933   -0.873542
     57          1           0      -11.214145   -0.033294   -0.272717
     58          1           0       -3.715450   -1.477224   -0.817105
     59          1           0       -4.813972   -1.502276   -2.215431
     60          1           0       -4.791639    0.416697   -3.813460
     61          1           0       -4.217883    2.008829   -3.230172
     62          1           0       -5.709203    1.293042   -2.547545
     63          1           0       -2.314382   -0.392534    0.073300
     64          1           0       -1.556713    2.485267    0.540523
     65          1           0        0.720441    3.039901    0.204225
     66          1           0        2.079999    1.218562   -1.757996
     67          1           0        1.780912    3.533499   -2.468113
     68          1           0        3.494971    3.210227   -2.245186
     69          1           0        0.613235    5.181680   -1.121766
     70          1           0        0.773059    7.136409    0.392888
     71          1           0        2.898454    7.618184    1.595556
     72          1           0        4.869783    6.136097    1.269477
     73          1           0        4.720517    4.177730   -0.240974
     74          1           0        3.305987    2.237432    0.916744
     75          1           0        4.293765    1.710962   -0.444734
     76          1           0        2.373163   -0.402599   -0.198492
     77          1           0        1.571824    0.001051    1.787882
     78          1           0        5.071418   -0.202310    1.392894
     79          1           0        4.555034   -1.459517   -1.411322
     80          1           0        5.229669    0.156462   -1.186250
     81          1           0        5.865093   -3.453721   -0.914109
     82          1           0        8.130125   -4.438331   -0.615937
     83          1           0       10.059772   -2.978787   -0.037751
     84          1           0        9.722956   -0.530647    0.243168
     85          1           0        7.469674    0.458691   -0.055774
     86          1           0        3.866263   -1.986666    2.235013
     87          1           0        1.112571   -5.081059    1.650202
     88          1           0        1.972972   -5.202313    0.047880
     89          1           0       -1.496817   -4.182032    1.140423
     90          1           0       -1.212977   -1.442877   -2.070783
     91          1           0       -2.140574    1.151735    2.589717
     92          1           0       -1.462580   -1.149667    1.886012
     93          1           0        0.237963   -0.688970    1.806479
     94          1           0       -0.614259   -0.708028    3.364181
     95          1           0       -0.142110    1.797917    3.882628
     96          1           0        0.898333    1.779831    2.465405
     97          1           0       -0.378501    3.002147    2.623202
     98          1           0       -4.762715    0.474405    1.276670
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0816576      0.0287859      0.0232117
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3657.6341896654 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258129821411     A.U. after   18 cycles
             Convg  =    0.5943D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000040780    0.000160030   -0.000053227
      2        6          -0.000073757   -0.000287500   -0.000205055
      3        6          -0.000146826    0.000142221   -0.000113025
      4        6          -0.000106199    0.000030362   -0.000032352
      5        7           0.000446597    0.000094227    0.000108814
      6        6          -0.000242688   -0.000057267   -0.000261620
      7        6           0.000411360    0.000205520    0.000338719
      8        7           0.000097200    0.000355604   -0.000576950
      9        6           0.000082757   -0.000080171    0.000078671
     10        6          -0.001140163    0.000534391   -0.000465294
     11        8           0.000631192   -0.000451180   -0.000298925
     12        7           0.000730976   -0.000342693    0.000055981
     13        6           0.000219987   -0.000130733   -0.000009599
     14        6           0.000027943    0.000555935   -0.000109471
     15        8          -0.000155993    0.000249494    0.000326966
     16        7           0.000222524   -0.000319235   -0.000484679
     17        6           0.000045051    0.000410794   -0.000248905
     18        6          -0.000062857   -0.000225865    0.000043550
     19        6           0.000086658   -0.000065899    0.000002506
     20        6           0.000035441    0.000060508    0.000056717
     21        6          -0.000127255   -0.000022549    0.000025714
     22        6           0.000017943    0.000099501   -0.000019556
     23        6           0.000136856   -0.000009734   -0.000024914
     24        6          -0.000081003   -0.000003840   -0.000038111
     25        6           0.000111102   -0.000440381    0.000482664
     26        6          -0.000499390    0.000408886   -0.000135916
     27        8          -0.000584151   -0.000307570   -0.000523987
     28        6           0.001066883   -0.000078090   -0.000198252
     29        6           0.000237351    0.000866409    0.000384993
     30        6          -0.000294036    0.000112271    0.000108896
     31        6           0.000291236    0.000048626   -0.000153144
     32        6          -0.000154187   -0.000227131   -0.000041800
     33        6           0.000076416    0.000126682    0.000027623
     34        6           0.000012113    0.000010564    0.000012221
     35        6           0.000142349   -0.000043189   -0.000001330
     36        7          -0.001103121   -0.000445163   -0.000370945
     37        6          -0.000485316    0.001831543   -0.002420847
     38        8           0.000536761   -0.001229821    0.000545513
     39        8           0.001117945   -0.000220289    0.000661079
     40        6          -0.000211155    0.000134861    0.001648556
     41        6          -0.000776219   -0.000995809   -0.003021954
     42        6           0.000906049    0.000013024    0.000595803
     43        7          -0.000231695    0.001001809    0.000747541
     44        6          -0.000750999   -0.000559921   -0.000254628
     45       16          -0.000660925   -0.000134413    0.001068087
     46        6          -0.000053004   -0.000255959    0.000497003
     47        6           0.000071746   -0.000446158    0.000570015
     48        6           0.000014661    0.000065804    0.000103616
     49        6          -0.000014004    0.000243103    0.000081755
     50       16           0.000068648    0.000039613   -0.000011369
     51        1           0.000009508   -0.000084418    0.000004519
     52        1           0.000061573   -0.000038752   -0.000012929
     53        1          -0.000003227   -0.000034775    0.000103105
     54        1          -0.000034146    0.000054213    0.000020667
     55        1           0.000067022   -0.000046252    0.000033546
     56        1          -0.000011943    0.000015365    0.000114122
     57        1           0.000029269   -0.000013011    0.000054767
     58        1          -0.000162985    0.000074304    0.000376429
     59        1           0.000144268   -0.000174140    0.000043939
     60        1          -0.000027303   -0.000066618    0.000084633
     61        1           0.000005095   -0.000029742    0.000114354
     62        1           0.000006216   -0.000014279    0.000004370
     63        1           0.000041713    0.000042084    0.000091099
     64        1          -0.000290864   -0.000207345   -0.000074526
     65        1           0.000015482   -0.000271841    0.000102540
     66        1          -0.000035257   -0.000063921    0.000105405
     67        1           0.000031887    0.000006168   -0.000043386
     68        1          -0.000017416    0.000058954    0.000017191
     69        1          -0.000011461   -0.000012213    0.000003782
     70        1           0.000007605   -0.000016621   -0.000000239
     71        1          -0.000016436    0.000007702    0.000003583
     72        1          -0.000029862    0.000006669    0.000001088
     73        1           0.000011512    0.000015532    0.000001755
     74        1          -0.000007324    0.000128361   -0.000005630
     75        1          -0.000375142    0.000056595   -0.000288554
     76        1          -0.000301690   -0.000001681    0.000299669
     77        1           0.000565855    0.000073634    0.000125032
     78        1           0.000273917   -0.000244725    0.000328682
     79        1          -0.000019489   -0.000149760    0.000440037
     80        1           0.000122220   -0.000187193   -0.000336673
     81        1           0.000064036   -0.000082776    0.000034641
     82        1          -0.000009086    0.000039797    0.000023497
     83        1           0.000019520    0.000003939   -0.000005118
     84        1           0.000011110    0.000020627   -0.000003264
     85        1          -0.000071834   -0.000016577    0.000022663
     86        1           0.000080606    0.000110441    0.000202710
     87        1           0.000087971    0.000612545    0.000423601
     88        1          -0.000275265    0.000049537   -0.000197946
     89        1           0.000081543   -0.000284922    0.000019708
     90        1           0.000178057   -0.000220203   -0.000335042
     91        1          -0.000344963    0.000121136    0.000001322
     92        1          -0.000062113    0.000432399   -0.000234284
     93        1           0.000280730    0.000024282    0.000248306
     94        1          -0.000018726   -0.000249190   -0.000479182
     95        1          -0.000071591    0.000132527    0.000063118
     96        1           0.000018610    0.000040391    0.000062919
     97        1           0.000072754    0.000026230   -0.000044764
     98        1           0.000060024   -0.000063695   -0.000012413
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003021954 RMS     0.000405746

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005788895 RMS     0.000594084
 Search for a local minimum.
 Step number  57 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   55   56   57
 DE= -1.72D-04 DEPred=-2.90D-04 R= 5.91D-01
 SS=  1.41D+00  RLast= 2.04D-01 DXNew= 1.2520D+00 6.1176D-01
 Trust test= 5.91D-01 RLast= 2.04D-01 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00131   0.00159   0.00205   0.00249   0.00298
     Eigenvalues ---    0.00376   0.00388   0.00522   0.00605   0.00634
     Eigenvalues ---    0.00734   0.00802   0.00886   0.00941   0.00966
     Eigenvalues ---    0.01003   0.01095   0.01165   0.01174   0.01272
     Eigenvalues ---    0.01288   0.01374   0.01437   0.01444   0.01475
     Eigenvalues ---    0.01513   0.01572   0.01639   0.01740   0.01752
     Eigenvalues ---    0.01849   0.01927   0.02066   0.02090   0.02194
     Eigenvalues ---    0.02203   0.02214   0.02220   0.02257   0.02268
     Eigenvalues ---    0.02290   0.02327   0.02372   0.02404   0.02407
     Eigenvalues ---    0.02414   0.02431   0.02449   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02564   0.02611   0.02681
     Eigenvalues ---    0.02704   0.02859   0.02972   0.03351   0.03702
     Eigenvalues ---    0.03940   0.04041   0.04105   0.04177   0.04288
     Eigenvalues ---    0.04543   0.04638   0.04886   0.04946   0.04981
     Eigenvalues ---    0.05121   0.05199   0.05215   0.05326   0.05395
     Eigenvalues ---    0.05431   0.05451   0.05480   0.05525   0.05561
     Eigenvalues ---    0.05615   0.05725   0.05760   0.05818   0.05851
     Eigenvalues ---    0.05864   0.05971   0.05986   0.06067   0.06250
     Eigenvalues ---    0.06482   0.06731   0.06873   0.07040   0.07094
     Eigenvalues ---    0.07516   0.07871   0.08374   0.08578   0.08832
     Eigenvalues ---    0.09338   0.09671   0.09872   0.10217   0.10361
     Eigenvalues ---    0.12125   0.12901   0.13127   0.13211   0.13461
     Eigenvalues ---    0.13824   0.13915   0.14435   0.15369   0.15609
     Eigenvalues ---    0.15677   0.15790   0.15949   0.15973   0.15979
     Eigenvalues ---    0.15991   0.15994   0.15996   0.15998   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16004   0.16006   0.16012
     Eigenvalues ---    0.16026   0.16034   0.16052   0.16086   0.16114
     Eigenvalues ---    0.16183   0.16226   0.16322   0.16875   0.17119
     Eigenvalues ---    0.17295   0.17824   0.17979   0.18537   0.18832
     Eigenvalues ---    0.19206   0.19842   0.20495   0.20784   0.21720
     Eigenvalues ---    0.21814   0.21997   0.22000   0.22001   0.22027
     Eigenvalues ---    0.22068   0.22317   0.22561   0.23049   0.23114
     Eigenvalues ---    0.23427   0.23497   0.23606   0.23730   0.23996
     Eigenvalues ---    0.24309   0.24635   0.24726   0.25000   0.25025
     Eigenvalues ---    0.25058   0.25100   0.25211   0.25541   0.26649
     Eigenvalues ---    0.27671   0.28992   0.29459   0.29756   0.29885
     Eigenvalues ---    0.29918   0.30041   0.30114   0.30371   0.30471
     Eigenvalues ---    0.30584   0.30709   0.30908   0.31340   0.31421
     Eigenvalues ---    0.31439   0.31499   0.31605   0.31659   0.31754
     Eigenvalues ---    0.31808   0.31970   0.32111   0.32261   0.32317
     Eigenvalues ---    0.32571   0.32618   0.32675   0.32773   0.32826
     Eigenvalues ---    0.32841   0.32951   0.32997   0.33064   0.33078
     Eigenvalues ---    0.33163   0.33194   0.33374   0.33450   0.33549
     Eigenvalues ---    0.33582   0.33673   0.33723   0.33739   0.33882
     Eigenvalues ---    0.33969   0.33985   0.34144   0.34182   0.34243
     Eigenvalues ---    0.34373   0.34409   0.34493   0.34546   0.34611
     Eigenvalues ---    0.34709   0.35377   0.36244   0.36309   0.36321
     Eigenvalues ---    0.36376   0.36624   0.36813   0.36921   0.37024
     Eigenvalues ---    0.37259   0.38473   0.39016   0.39334   0.39830
     Eigenvalues ---    0.40567   0.41127   0.42388   0.42537   0.42676
     Eigenvalues ---    0.43230   0.43327   0.43910   0.44469   0.44893
     Eigenvalues ---    0.45194   0.46977   0.47341   0.47658   0.48348
     Eigenvalues ---    0.48459   0.48660   0.48901   0.49069   0.49651
     Eigenvalues ---    0.50208   0.50766   0.51092   0.51268   0.51425
     Eigenvalues ---    0.54727   0.56740   0.58374   0.59068   0.60719
     Eigenvalues ---    0.63373   0.65249   0.76171   0.78512   0.84800
     Eigenvalues ---    1.22298   1.76362   2.295911000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    57   56
 RFO step:  Lambda=-1.76667134D-04.
 DIIS coeffs:      0.69641      0.30359
 Iteration  1 RMS(Cart)=  0.03761209 RMS(Int)=  0.00012983
 Iteration  2 RMS(Cart)=  0.00047764 RMS(Int)=  0.00000317
 Iteration  3 RMS(Cart)=  0.00000005 RMS(Int)=  0.00000317
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89453   0.00004  -0.00005   0.00023   0.00019   2.89471
    R2        2.07205  -0.00005   0.00005  -0.00017  -0.00012   2.07193
    R3        2.07424  -0.00007  -0.00007  -0.00013  -0.00019   2.07405
    R4        2.07151   0.00008   0.00001   0.00035   0.00036   2.07187
    R5        2.89487  -0.00013  -0.00006  -0.00028  -0.00033   2.89454
    R6        2.82834  -0.00020  -0.00018  -0.00038  -0.00056   2.82778
    R7        2.13097   0.00004   0.00005   0.00021   0.00025   2.13122
    R8        2.07169   0.00007   0.00003   0.00033   0.00036   2.07205
    R9        2.07395  -0.00011   0.00003  -0.00049  -0.00045   2.07349
   R10        2.07191   0.00002   0.00006  -0.00002   0.00004   2.07195
   R11        2.47831  -0.00021  -0.00015  -0.00035  -0.00050   2.47780
   R12        3.37414  -0.00012   0.00004   0.00004   0.00008   3.37423
   R13        2.68225   0.00025   0.00013   0.00072   0.00085   2.68310
   R14        2.84067  -0.00005  -0.00051   0.00123   0.00072   2.84138
   R15        2.58089  -0.00004  -0.00008   0.00019   0.00011   2.58100
   R16        2.80421   0.00069   0.00020   0.00160   0.00180   2.80602
   R17        2.11611   0.00036   0.00039   0.00092   0.00130   2.11742
   R18        2.11855  -0.00018  -0.00015  -0.00031  -0.00047   2.11808
   R19        2.81472  -0.00022   0.00004  -0.00035  -0.00031   2.81441
   R20        2.68160   0.00053   0.00062   0.00045   0.00107   2.68267
   R21        2.08315  -0.00008   0.00005  -0.00036  -0.00030   2.08284
   R22        2.09210  -0.00006   0.00002  -0.00022  -0.00020   2.09190
   R23        2.08284   0.00001  -0.00003  -0.00001  -0.00004   2.08280
   R24        2.31675   0.00059  -0.00039   0.00118   0.00080   2.31755
   R25        2.69502   0.00060   0.00039   0.00150   0.00188   2.69690
   R26        2.79738   0.00061  -0.00045   0.00258   0.00213   2.79951
   R27        1.94598   0.00006   0.00105  -0.00100   0.00004   1.94603
   R28        2.91763   0.00083  -0.00034   0.00116   0.00081   2.91845
   R29        2.94114   0.00078   0.00005   0.00123   0.00128   2.94242
   R30        2.13591   0.00002  -0.00035   0.00068   0.00034   2.13625
   R31        2.32246   0.00033  -0.00027   0.00057   0.00030   2.32276
   R32        2.61825   0.00096   0.00031   0.00035   0.00066   2.61891
   R33        2.81386   0.00085   0.00023   0.00006   0.00029   2.81415
   R34        1.92444   0.00023  -0.00006   0.00033   0.00027   1.92471
   R35        2.91950   0.00002   0.00021  -0.00038  -0.00016   2.91934
   R36        2.91625   0.00057  -0.00022   0.00027   0.00005   2.91630
   R37        2.13482  -0.00007   0.00021  -0.00105  -0.00084   2.13398
   R38        2.84185  -0.00005   0.00004  -0.00056  -0.00052   2.84133
   R39        2.10369   0.00005   0.00016   0.00009   0.00024   2.10393
   R40        2.09805   0.00001  -0.00011   0.00002  -0.00008   2.09796
   R41        2.65357  -0.00005   0.00004  -0.00025  -0.00021   2.65336
   R42        2.65204  -0.00003   0.00004  -0.00006  -0.00002   2.65202
   R43        2.64042  -0.00004   0.00002  -0.00005  -0.00002   2.64039
   R44        2.05974  -0.00002  -0.00004   0.00002  -0.00002   2.05973
   R45        2.64271  -0.00010  -0.00006  -0.00014  -0.00021   2.64251
   R46        2.05885   0.00001  -0.00001   0.00010   0.00009   2.05894
   R47        2.64280  -0.00008   0.00001  -0.00013  -0.00012   2.64268
   R48        2.05615  -0.00001   0.00001  -0.00003  -0.00002   2.05613
   R49        2.64081  -0.00003  -0.00002  -0.00012  -0.00014   2.64068
   R50        2.05837   0.00002  -0.00001   0.00004   0.00004   2.05840
   R51        2.05555  -0.00001  -0.00004  -0.00004  -0.00009   2.05547
   R52        2.89437  -0.00012   0.00040  -0.00095  -0.00054   2.89383
   R53        2.10181  -0.00012   0.00022  -0.00065  -0.00042   2.10138
   R54        2.08979   0.00045   0.00008   0.00168   0.00176   2.09155
   R55        2.72991  -0.00024   0.00000  -0.00011  -0.00011   2.72980
   R56        2.94646  -0.00027   0.00035  -0.00260  -0.00225   2.94421
   R57        2.11884  -0.00017  -0.00045  -0.00054  -0.00098   2.11786
   R58        1.88105   0.00054  -0.00011   0.00112   0.00101   1.88206
   R59        2.90562  -0.00044   0.00008  -0.00020  -0.00012   2.90549
   R60        2.82975  -0.00074  -0.00133   0.00175   0.00041   2.83016
   R61        2.12330   0.00023   0.00006   0.00024   0.00030   2.12360
   R62        2.84154  -0.00008   0.00010  -0.00027  -0.00017   2.84137
   R63        2.11337  -0.00023   0.00004  -0.00102  -0.00098   2.11238
   R64        2.09599   0.00040   0.00001   0.00143   0.00144   2.09742
   R65        2.65240  -0.00026   0.00010  -0.00044  -0.00035   2.65206
   R66        2.65159  -0.00004  -0.00013  -0.00008  -0.00021   2.65138
   R67        2.63912   0.00007  -0.00004   0.00000  -0.00004   2.63907
   R68        2.06153  -0.00003   0.00006  -0.00022  -0.00016   2.06137
   R69        2.64424  -0.00015   0.00000  -0.00017  -0.00016   2.64408
   R70        2.05730   0.00005   0.00002   0.00013   0.00016   2.05746
   R71        2.64205   0.00001  -0.00004  -0.00007  -0.00011   2.64193
   R72        2.05509  -0.00002   0.00003  -0.00005  -0.00002   2.05507
   R73        2.64144  -0.00003   0.00004   0.00017   0.00022   2.64166
   R74        2.05689  -0.00002  -0.00002  -0.00003  -0.00005   2.05684
   R75        2.05382  -0.00003  -0.00005  -0.00003  -0.00009   2.05373
   R76        2.63727  -0.00010  -0.00180   0.00318   0.00138   2.63865
   R77        1.94691   0.00014  -0.00018   0.00025   0.00006   1.94698
   R78        2.30886  -0.00126   0.00011  -0.00121  -0.00111   2.30775
   R79        2.62293   0.00078   0.00076   0.00190   0.00266   2.62559
   R80        2.76533  -0.00096   0.00090  -0.00074   0.00016   2.76550
   R81        2.78656  -0.00035   0.00055   0.00077   0.00132   2.78788
   R82        2.09586   0.00047  -0.00119   0.00311   0.00192   2.09778
   R83        2.09485   0.00028   0.00030   0.00007   0.00037   2.09522
   R84        2.58362   0.00043   0.00002   0.00076   0.00078   2.58440
   R85        3.31265  -0.00108  -0.00041  -0.00075  -0.00116   3.31150
   R86        2.66629  -0.00038   0.00002   0.00032   0.00034   2.66664
   R87        2.05013   0.00000  -0.00010   0.00004  -0.00006   2.05007
   R88        2.49461   0.00099  -0.00034   0.00090   0.00056   2.49517
   R89        3.32337  -0.00018   0.00049   0.00133   0.00182   3.32519
   R90        2.05223   0.00039   0.00036   0.00042   0.00078   2.05301
   R91        2.89034  -0.00022  -0.00109   0.00196   0.00087   2.89121
   R92        2.89265  -0.00026   0.00016  -0.00049  -0.00033   2.89232
   R93        2.12301  -0.00032   0.00019  -0.00148  -0.00129   2.12171
   R94        2.07514   0.00036  -0.00065   0.00138   0.00073   2.07587
   R95        2.08668  -0.00034  -0.00003  -0.00013  -0.00016   2.08652
   R96        2.07341  -0.00035  -0.00001  -0.00053  -0.00055   2.07286
   R97        2.07479  -0.00001   0.00028  -0.00063  -0.00035   2.07444
   R98        2.07981  -0.00003   0.00009  -0.00021  -0.00012   2.07969
   R99        2.06899   0.00005  -0.00003   0.00012   0.00009   2.06908
   R100       3.28010   0.00001   0.00005   0.00028   0.00032   3.28042
   R101       2.03821   0.00002   0.00013   0.00005   0.00018   2.03838
    A1        1.93478  -0.00001  -0.00001   0.00000  -0.00001   1.93477
    A2        1.94444   0.00001  -0.00009   0.00037   0.00028   1.94472
    A3        1.96029   0.00008  -0.00009   0.00084   0.00076   1.96104
    A4        1.87329   0.00001   0.00006   0.00040   0.00046   1.87375
    A5        1.87114  -0.00005   0.00001  -0.00090  -0.00089   1.87025
    A6        1.87579  -0.00006   0.00014  -0.00080  -0.00066   1.87513
    A7        1.95178  -0.00005  -0.00005  -0.00004  -0.00009   1.95170
    A8        1.92499   0.00000  -0.00003   0.00081   0.00079   1.92577
    A9        1.88962   0.00000   0.00005  -0.00087  -0.00082   1.88880
   A10        1.92696   0.00006  -0.00015   0.00017   0.00002   1.92698
   A11        1.88915   0.00001   0.00015  -0.00009   0.00006   1.88921
   A12        1.87913  -0.00001   0.00004  -0.00003   0.00001   1.87914
   A13        1.96105   0.00005  -0.00011   0.00025   0.00014   1.96119
   A14        1.94527  -0.00003  -0.00006   0.00006   0.00000   1.94527
   A15        1.93453  -0.00001   0.00009  -0.00012  -0.00003   1.93450
   A16        1.87498   0.00000   0.00002   0.00001   0.00003   1.87501
   A17        1.87045  -0.00005   0.00007  -0.00089  -0.00082   1.86963
   A18        1.87336   0.00004   0.00000   0.00069   0.00069   1.87405
   A19        2.20973  -0.00004   0.00006   0.00015   0.00021   2.20994
   A20        2.11743  -0.00006  -0.00003  -0.00059  -0.00061   2.11682
   A21        1.95602   0.00009  -0.00004   0.00044   0.00040   1.95643
   A22        1.96124   0.00002   0.00008   0.00007   0.00015   1.96139
   A23        2.04820   0.00009   0.00017  -0.00027  -0.00010   2.04810
   A24        2.01185  -0.00016  -0.00007  -0.00065  -0.00072   2.01113
   A25        2.22310   0.00007  -0.00010   0.00092   0.00082   2.22392
   A26        1.98249  -0.00021  -0.00004   0.00066   0.00062   1.98311
   A27        1.91718   0.00001  -0.00042   0.00251   0.00209   1.91926
   A28        1.92266  -0.00010   0.00024  -0.00209  -0.00185   1.92081
   A29        1.92129   0.00031   0.00062   0.00146   0.00208   1.92336
   A30        1.88059   0.00000  -0.00012  -0.00225  -0.00237   1.87822
   A31        1.83345   0.00000  -0.00029  -0.00050  -0.00079   1.83266
   A32        1.98833  -0.00033  -0.00151   0.00150   0.00000   1.98833
   A33        2.11710   0.00044  -0.00036   0.00113   0.00078   2.11788
   A34        2.01033  -0.00024  -0.00086  -0.00096  -0.00181   2.00852
   A35        1.89715  -0.00008  -0.00009  -0.00031  -0.00040   1.89674
   A36        1.92323  -0.00010  -0.00010  -0.00063  -0.00073   1.92250
   A37        1.96605   0.00002   0.00019   0.00008   0.00027   1.96632
   A38        1.88893   0.00010  -0.00007   0.00085   0.00078   1.88971
   A39        1.89862   0.00005  -0.00006   0.00062   0.00056   1.89918
   A40        1.88829   0.00002   0.00012  -0.00055  -0.00043   1.88786
   A41        2.12822  -0.00026   0.00004  -0.00046  -0.00045   2.12777
   A42        2.05101   0.00036   0.00036  -0.00037  -0.00004   2.05097
   A43        2.10276  -0.00007  -0.00024   0.00138   0.00111   2.10387
   A44        2.02427   0.00040  -0.00063   0.00245   0.00183   2.02610
   A45        2.06825  -0.00027  -0.00172  -0.00119  -0.00290   2.06535
   A46        1.99105   0.00008  -0.00070  -0.00232  -0.00301   1.98804
   A47        1.92560   0.00103  -0.00015   0.00049   0.00034   1.92594
   A48        1.90622  -0.00058  -0.00055   0.00112   0.00056   1.90678
   A49        1.87128  -0.00019  -0.00088   0.00232   0.00145   1.87272
   A50        1.94170   0.00010   0.00134  -0.00278  -0.00144   1.94026
   A51        1.91600  -0.00061  -0.00004  -0.00114  -0.00118   1.91481
   A52        1.90154   0.00023   0.00020   0.00019   0.00038   1.90192
   A53        2.14642   0.00112  -0.00049   0.00068   0.00019   2.14660
   A54        2.02058  -0.00260   0.00057  -0.00086  -0.00028   2.02029
   A55        2.11614   0.00149  -0.00009   0.00018   0.00009   2.11623
   A56        2.12786   0.00335  -0.00023  -0.00185  -0.00207   2.12579
   A57        2.11876  -0.00161  -0.00023   0.00172   0.00150   2.12026
   A58        2.03425  -0.00173   0.00021   0.00015   0.00036   2.03461
   A59        1.91395  -0.00077  -0.00045   0.00010  -0.00035   1.91360
   A60        1.92681   0.00045  -0.00029  -0.00038  -0.00066   1.92614
   A61        1.87620   0.00046   0.00013  -0.00023  -0.00011   1.87609
   A62        1.96172  -0.00035   0.00002  -0.00003  -0.00001   1.96171
   A63        1.88371   0.00008   0.00010   0.00116   0.00126   1.88497
   A64        1.89891   0.00016   0.00051  -0.00059  -0.00008   1.89883
   A65        1.99673  -0.00002  -0.00015  -0.00012  -0.00027   1.99646
   A66        1.89475  -0.00001   0.00001  -0.00071  -0.00070   1.89404
   A67        1.89970  -0.00001  -0.00002   0.00036   0.00035   1.90005
   A68        1.91876   0.00000   0.00010  -0.00030  -0.00021   1.91855
   A69        1.92132   0.00004   0.00016   0.00079   0.00096   1.92228
   A70        1.82445   0.00000  -0.00010  -0.00002  -0.00013   1.82432
   A71        2.09354  -0.00001   0.00001  -0.00012  -0.00011   2.09344
   A72        2.10465  -0.00004   0.00006  -0.00030  -0.00025   2.10440
   A73        2.08496   0.00005  -0.00007   0.00043   0.00036   2.08532
   A74        2.09729  -0.00005   0.00003  -0.00033  -0.00031   2.09698
   A75        2.09708   0.00003   0.00002   0.00011   0.00013   2.09721
   A76        2.08873   0.00003  -0.00005   0.00023   0.00018   2.08891
   A77        2.09847   0.00002   0.00002   0.00008   0.00010   2.09857
   A78        2.09057   0.00000  -0.00001  -0.00003  -0.00003   2.09054
   A79        2.09413  -0.00003  -0.00001  -0.00006  -0.00007   2.09407
   A80        2.08970   0.00002  -0.00002   0.00008   0.00007   2.08977
   A81        2.09667   0.00000   0.00002   0.00016   0.00018   2.09684
   A82        2.09680  -0.00003   0.00000  -0.00024  -0.00024   2.09656
   A83        2.09919   0.00001   0.00002  -0.00001   0.00001   2.09920
   A84        2.09264   0.00002  -0.00002   0.00024   0.00022   2.09286
   A85        2.09136  -0.00003   0.00000  -0.00023  -0.00023   2.09112
   A86        2.09671  -0.00005   0.00002  -0.00025  -0.00023   2.09648
   A87        2.09779   0.00001   0.00001  -0.00009  -0.00008   2.09771
   A88        2.08867   0.00004  -0.00003   0.00034   0.00031   2.08897
   A89        1.94329   0.00144   0.00007  -0.00095  -0.00087   1.94242
   A90        1.93027  -0.00098  -0.00023   0.00010  -0.00013   1.93015
   A91        1.91367   0.00006   0.00028  -0.00035  -0.00007   1.91360
   A92        1.89884   0.00018  -0.00028   0.00018  -0.00010   1.89874
   A93        1.93826  -0.00107   0.00044  -0.00020   0.00024   1.93850
   A94        1.83673   0.00027  -0.00032   0.00135   0.00103   1.83776
   A95        1.88478   0.00028   0.00006  -0.00283  -0.00277   1.88200
   A96        2.00432  -0.00110  -0.00064  -0.00029  -0.00093   2.00339
   A97        1.93605   0.00027   0.00042   0.00206   0.00249   1.93854
   A98        1.79989   0.00000   0.00044  -0.00079  -0.00036   1.79953
   A99        1.90295  -0.00006  -0.00044   0.00178   0.00134   1.90429
   A100       1.92845   0.00062   0.00014  -0.00011   0.00003   1.92849
   A101       1.91770   0.00033  -0.00058   0.00311   0.00253   1.92023
   A102       1.94669   0.00044  -0.00040  -0.00139  -0.00179   1.94490
   A103       1.88560   0.00119   0.00001   0.00291   0.00291   1.88851
   A104       1.91118  -0.00093   0.00082  -0.00203  -0.00121   1.90997
   A105       1.95653  -0.00181  -0.00146  -0.00321  -0.00467   1.95186
   A106       1.91378   0.00070   0.00063   0.00333   0.00397   1.91775
   A107       1.84702   0.00040   0.00048   0.00044   0.00092   1.84794
   A108       1.94824   0.00002   0.00000  -0.00004  -0.00004   1.94820
   A109       1.92133  -0.00026  -0.00029  -0.00118  -0.00147   1.91987
   A110       1.91146   0.00005   0.00054  -0.00072  -0.00017   1.91128
   A111       1.92413  -0.00001  -0.00046  -0.00042  -0.00088   1.92325
   A112       1.92497   0.00007   0.00002   0.00096   0.00097   1.92594
   A113       1.83017   0.00013   0.00020   0.00147   0.00167   1.83184
   A114       2.09513  -0.00034  -0.00030  -0.00087  -0.00117   2.09395
   A115       2.09931   0.00019   0.00024   0.00028   0.00053   2.09984
   A116       2.08874   0.00015   0.00006   0.00059   0.00065   2.08939
   A117       2.09515  -0.00006  -0.00001  -0.00033  -0.00034   2.09481
   A118       2.08928  -0.00005  -0.00016  -0.00013  -0.00029   2.08899
   A119       2.09873   0.00010   0.00017   0.00046   0.00063   2.09936
   A120       2.09833  -0.00001  -0.00004   0.00009   0.00005   2.09838
   A121       2.09149  -0.00001   0.00006  -0.00019  -0.00014   2.09135
   A122       2.09336   0.00002  -0.00001   0.00011   0.00009   2.09345
   A123       2.09101   0.00002   0.00002   0.00008   0.00009   2.09110
   A124       2.09566  -0.00001  -0.00002  -0.00009  -0.00011   2.09555
   A125       2.09651  -0.00001   0.00001   0.00001   0.00002   2.09653
   A126       2.09850   0.00001   0.00005   0.00000   0.00005   2.09855
   A127       2.09337   0.00000   0.00000   0.00013   0.00013   2.09349
   A128       2.09131  -0.00001  -0.00005  -0.00013  -0.00017   2.09114
   A129       2.09463  -0.00011  -0.00007  -0.00042  -0.00050   2.09413
   A130       2.09791   0.00013   0.00009   0.00091   0.00100   2.09891
   A131       2.09065  -0.00002  -0.00002  -0.00049  -0.00050   2.09014
   A132       2.06810  -0.00280  -0.00140  -0.00247  -0.00387   2.06423
   A133       1.97055   0.00089   0.00011   0.00261   0.00272   1.97327
   A134       2.02188   0.00156   0.00070  -0.00140  -0.00070   2.02118
   A135       2.25216  -0.00140   0.00012  -0.00205  -0.00193   2.25022
   A136       1.90757   0.00193   0.00021  -0.00054  -0.00033   1.90725
   A137       2.12248  -0.00050  -0.00025   0.00247   0.00223   2.12471
   A138       2.02404  -0.00579  -0.00216  -0.00089  -0.00305   2.02099
   A139       1.93206  -0.00441  -0.00236  -0.00439  -0.00676   1.92531
   A140       1.74868   0.00213   0.00108   0.00597   0.00706   1.75574
   A141       1.89106   0.00101   0.00011  -0.00193  -0.00184   1.88922
   A142       1.98010   0.00194   0.00102   0.00070   0.00173   1.98183
   A143       1.96858  -0.00016   0.00078  -0.00067   0.00010   1.96868
   A144       1.92961  -0.00038  -0.00070   0.00077   0.00007   1.92968
   A145       2.28542   0.00094   0.00143  -0.00469  -0.00326   2.28216
   A146       2.08603  -0.00197  -0.00180   0.00358   0.00178   2.08781
   A147       1.91156   0.00103   0.00031   0.00124   0.00155   1.91312
   A148       2.01423  -0.00082  -0.00043  -0.00027  -0.00070   2.01353
   A149       2.21880   0.00044   0.00000   0.00126   0.00126   2.22006
   A150       2.05009   0.00038   0.00043  -0.00101  -0.00058   2.04951
   A151       1.94701   0.00004   0.00053  -0.00107  -0.00054   1.94647
   A152       1.98127   0.00008  -0.00034   0.00108   0.00075   1.98201
   A153       2.18413  -0.00003   0.00008  -0.00039  -0.00030   2.18383
   A154       2.11714  -0.00005   0.00037  -0.00092  -0.00054   2.11659
   A155       1.57037  -0.00033   0.00002  -0.00110  -0.00108   1.56928
   A156       1.96217   0.00044   0.00018   0.00198   0.00216   1.96433
   A157       1.92446   0.00008   0.00092  -0.00099  -0.00007   1.92439
   A158       1.85713  -0.00017  -0.00032   0.00048   0.00017   1.85730
   A159       1.93632  -0.00036  -0.00116   0.00080  -0.00036   1.93597
   A160       1.89009  -0.00013  -0.00026  -0.00095  -0.00121   1.88888
   A161       1.89027   0.00013   0.00068  -0.00148  -0.00080   1.88947
   A162       1.95533   0.00009   0.00027   0.00084   0.00111   1.95644
   A163       1.96217   0.00023  -0.00066   0.00271   0.00206   1.96423
   A164       1.94521  -0.00047  -0.00111  -0.00042  -0.00152   1.94369
   A165       1.85725  -0.00018   0.00067  -0.00398  -0.00331   1.85394
   A166       1.86119   0.00034   0.00191   0.00124   0.00315   1.86434
   A167       1.87678   0.00001  -0.00093  -0.00066  -0.00159   1.87520
   A168       1.93336  -0.00014   0.00006  -0.00116  -0.00109   1.93227
   A169       1.96613  -0.00002  -0.00017   0.00039   0.00022   1.96635
   A170       1.96075  -0.00005   0.00002  -0.00005  -0.00003   1.96072
   A171       1.85370   0.00002  -0.00019   0.00035   0.00015   1.85385
   A172       1.86103   0.00013   0.00002   0.00132   0.00133   1.86237
   A173       1.88257   0.00007   0.00027  -0.00077  -0.00050   1.88207
   A174       1.91561   0.00008   0.00002   0.00055   0.00057   1.91617
   A175       2.23748   0.00002  -0.00007   0.00034   0.00027   2.23775
   A176       2.13009  -0.00011   0.00004  -0.00088  -0.00084   2.12925
   A177       1.58005  -0.00004   0.00000  -0.00039  -0.00039   1.57966
    D1        1.10383  -0.00005  -0.00133  -0.00286  -0.00419   1.09964
    D2       -3.02789  -0.00001  -0.00158  -0.00208  -0.00366  -3.03154
    D3       -0.97595  -0.00003  -0.00152  -0.00216  -0.00368  -0.97964
    D4       -3.09444  -0.00003  -0.00133  -0.00211  -0.00343  -3.09787
    D5       -0.94297   0.00001  -0.00157  -0.00133  -0.00290  -0.94587
    D6        1.10897  -0.00001  -0.00151  -0.00141  -0.00293   1.10604
    D7       -0.98894  -0.00004  -0.00128  -0.00228  -0.00356  -0.99250
    D8        1.16253   0.00000  -0.00152  -0.00150  -0.00302   1.15950
    D9       -3.06872  -0.00002  -0.00146  -0.00159  -0.00305  -3.07178
   D10        1.00232   0.00000  -0.00084  -0.00079  -0.00163   1.00069
   D11        3.10789   0.00001  -0.00094  -0.00055  -0.00150   3.10639
   D12       -1.08991   0.00003  -0.00093   0.00027  -0.00066  -1.09056
   D13       -1.14804  -0.00001  -0.00067  -0.00193  -0.00260  -1.15064
   D14        0.95753   0.00000  -0.00077  -0.00170  -0.00247   0.95506
   D15        3.04292   0.00002  -0.00075  -0.00087  -0.00163   3.04130
   D16        3.08238  -0.00003  -0.00072  -0.00194  -0.00266   3.07972
   D17       -1.09524  -0.00002  -0.00082  -0.00170  -0.00252  -1.09776
   D18        0.99016   0.00000  -0.00080  -0.00088  -0.00168   0.98847
   D19        2.04023   0.00001   0.00050   0.01310   0.01360   2.05383
   D20       -1.10149   0.00000  -0.00096   0.01628   0.01532  -1.08616
   D21       -2.07710  -0.00001   0.00032   0.01374   0.01406  -2.06304
   D22        1.06437  -0.00002  -0.00115   0.01693   0.01578   1.08015
   D23       -0.01817   0.00003   0.00044   0.01370   0.01414  -0.00403
   D24        3.12330   0.00002  -0.00103   0.01689   0.01586   3.13916
   D25       -3.13635  -0.00002  -0.00021  -0.00077  -0.00099  -3.13733
   D26        0.00536  -0.00001   0.00114  -0.00371  -0.00257   0.00279
   D27        3.13750   0.00000  -0.00004   0.00110   0.00106   3.13856
   D28       -0.00420   0.00000  -0.00131   0.00386   0.00255  -0.00164
   D29        3.12820   0.00004  -0.00015   0.00164   0.00148   3.12968
   D30       -0.00418   0.00002  -0.00031   0.00156   0.00125  -0.00293
   D31        2.01104  -0.00021   0.00794  -0.01821  -0.01028   2.00076
   D32       -2.11188   0.00006   0.00840  -0.01389  -0.00549  -2.11737
   D33       -0.10039   0.00001   0.00795  -0.01425  -0.00630  -0.10669
   D34       -1.14105  -0.00019   0.00811  -0.01813  -0.01002  -1.15107
   D35        1.01922   0.00008   0.00858  -0.01382  -0.00523   1.01398
   D36        3.03071   0.00002   0.00812  -0.01417  -0.00605   3.02466
   D37        0.00087  -0.00002  -0.00069   0.00142   0.00072   0.00159
   D38       -3.13681   0.00003   0.00024  -0.00054  -0.00030  -3.13711
   D39       -3.13042  -0.00004  -0.00087   0.00134   0.00047  -3.12995
   D40        0.01509   0.00002   0.00006  -0.00062  -0.00056   0.01453
   D41       -1.23860   0.00033   0.00621   0.00286   0.00908  -1.22952
   D42        1.28413   0.00002   0.00146   0.00527   0.00673   1.29086
   D43        2.88656   0.00023   0.00632  -0.00204   0.00428   2.89083
   D44       -0.87389  -0.00008   0.00156   0.00037   0.00193  -0.87196
   D45        0.89628   0.00007   0.00640  -0.00097   0.00543   0.90171
   D46       -2.86417  -0.00024   0.00165   0.00143   0.00308  -2.86109
   D47       -1.16285  -0.00003  -0.00220   0.00649   0.00429  -1.15856
   D48        3.05307  -0.00005  -0.00200   0.00600   0.00400   3.05707
   D49        0.94259  -0.00002  -0.00222   0.00710   0.00488   0.94747
   D50        2.55839   0.00000   0.00205   0.00353   0.00558   2.56397
   D51        0.49113  -0.00001   0.00224   0.00305   0.00529   0.49642
   D52       -1.61935   0.00002   0.00203   0.00414   0.00617  -1.61318
   D53       -2.78105   0.00076   0.00665  -0.00453   0.00212  -2.77894
   D54        0.41288   0.00013   0.00270  -0.01670  -0.01400   0.39888
   D55       -0.26553   0.00042   0.00162  -0.00128   0.00035  -0.26518
   D56        2.92840  -0.00021  -0.00232  -0.01345  -0.01577   2.91264
   D57        2.83193   0.00080   0.00721  -0.00439   0.00281   2.83475
   D58        0.36475   0.00047   0.01185  -0.00199   0.00987   0.37462
   D59       -0.25812   0.00018   0.00332  -0.01633  -0.01302  -0.27114
   D60       -2.72531  -0.00015   0.00796  -0.01392  -0.00596  -2.73127
   D61       -1.41617   0.00024  -0.00026   0.00534   0.00509  -1.41109
   D62        2.72757  -0.00017  -0.00147   0.00776   0.00629   2.73386
   D63        0.66968  -0.00003  -0.00092   0.00564   0.00472   0.67440
   D64        1.08060   0.00041  -0.00510   0.00338  -0.00172   1.07888
   D65       -1.05884   0.00001  -0.00631   0.00579  -0.00052  -1.05936
   D66       -3.11673   0.00015  -0.00576   0.00367  -0.00209  -3.11882
   D67       -0.58306  -0.00024  -0.00123  -0.01511  -0.01634  -0.59940
   D68        2.56965  -0.00035  -0.00055  -0.01517  -0.01572   2.55393
   D69        1.53543  -0.00021  -0.00114  -0.01523  -0.01636   1.51907
   D70       -1.59504  -0.00033  -0.00045  -0.01529  -0.01574  -1.61078
   D71       -2.64162  -0.00026  -0.00004  -0.01756  -0.01760  -2.65921
   D72        0.51109  -0.00038   0.00064  -0.01762  -0.01697   0.49412
   D73        1.14612   0.00048   0.00024   0.01100   0.01124   1.15735
   D74       -2.96639   0.00039  -0.00045   0.01274   0.01229  -2.95410
   D75       -0.92019   0.00050   0.00066   0.01074   0.01140  -0.90879
   D76       -0.98365  -0.00048  -0.00007   0.01144   0.01137  -0.97228
   D77        1.18702  -0.00057  -0.00076   0.01319   0.01242   1.19945
   D78       -3.04996  -0.00046   0.00034   0.01119   0.01153  -3.03843
   D79       -3.09827   0.00007  -0.00101   0.01451   0.01350  -3.08477
   D80       -0.92760  -0.00003  -0.00170   0.01626   0.01456  -0.91304
   D81        1.11861   0.00008  -0.00059   0.01426   0.01367   1.13227
   D82        3.11260   0.00006  -0.00201   0.00541   0.00340   3.11600
   D83        0.04653  -0.00008   0.00174   0.00506   0.00680   0.05333
   D84       -0.01809  -0.00005  -0.00133   0.00534   0.00401  -0.01408
   D85       -3.08415  -0.00019   0.00241   0.00499   0.00741  -3.07675
   D86        2.51451  -0.00008   0.00244  -0.01094  -0.00851   2.50600
   D87       -1.59797  -0.00074   0.00196  -0.01118  -0.00922  -1.60719
   D88        0.47090  -0.00002   0.00249  -0.01224  -0.00975   0.46114
   D89       -0.69915   0.00005  -0.00116  -0.01054  -0.01169  -0.71084
   D90        1.47155  -0.00062  -0.00163  -0.01077  -0.01240   1.45915
   D91       -2.74276   0.00010  -0.00110  -0.01184  -0.01294  -2.75570
   D92        1.03595  -0.00014   0.00169   0.00179   0.00348   1.03942
   D93       -1.11402  -0.00012   0.00166   0.00281   0.00447  -1.10955
   D94       -3.09013  -0.00010   0.00179   0.00302   0.00480  -3.08533
   D95       -1.11431   0.00008   0.00237   0.00222   0.00459  -1.10972
   D96        3.01891   0.00010   0.00234   0.00325   0.00559   3.02450
   D97        1.04280   0.00011   0.00246   0.00345   0.00592   1.04872
   D98        3.07484   0.00004   0.00165   0.00222   0.00387   3.07870
   D99        0.92487   0.00007   0.00162   0.00324   0.00486   0.92973
   D100      -1.05124   0.00008   0.00175   0.00345   0.00519  -1.04604
   D101       1.22214   0.00139   0.00367  -0.00344   0.00023   1.22237
   D102      -0.89127   0.00085   0.00413  -0.00309   0.00103  -0.89023
   D103      -2.90906   0.00105   0.00448  -0.00459  -0.00011  -2.90917
   D104      -2.91800   0.00048   0.00290  -0.00361  -0.00071  -2.91872
   D105       1.25177  -0.00006   0.00336  -0.00327   0.00009   1.25186
   D106      -0.76602   0.00014   0.00371  -0.00476  -0.00105  -0.76707
   D107      -0.83280   0.00047   0.00338  -0.00258   0.00080  -0.83201
   D108      -2.94622  -0.00007   0.00384  -0.00224   0.00160  -2.94462
   D109       1.31918   0.00013   0.00419  -0.00373   0.00045   1.31964
   D110      -1.66444   0.00006  -0.00003   0.00549   0.00547  -1.65897
   D111       1.48552   0.00005   0.00016   0.00484   0.00500   1.49052
   D112       0.47252   0.00003  -0.00005   0.00424   0.00419   0.47671
   D113      -2.66070   0.00003   0.00014   0.00359   0.00372  -2.65698
   D114       2.47329   0.00005  -0.00002   0.00449   0.00446   2.47775
   D115      -0.65994   0.00004   0.00016   0.00384   0.00400  -0.65594
   D116       3.14034   0.00000   0.00014  -0.00026  -0.00012   3.14022
   D117      -0.01535   0.00000  -0.00006   0.00014   0.00008  -0.01527
   D118      -0.00952   0.00001  -0.00004   0.00038   0.00034  -0.00918
   D119       3.11797   0.00000  -0.00024   0.00078   0.00054   3.11851
   D120      -3.13964   0.00000  -0.00012   0.00027   0.00016  -3.13948
   D121       0.00857   0.00000  -0.00002   0.00024   0.00021   0.00879
   D122       0.01028   0.00000   0.00007  -0.00037  -0.00031   0.00998
   D123      -3.12470   0.00000   0.00016  -0.00040  -0.00025  -3.12494
   D124       0.00162   0.00000  -0.00002  -0.00014  -0.00015   0.00147
   D125       3.13876   0.00000  -0.00014   0.00015   0.00002   3.13878
   D126      -3.12595   0.00000   0.00018  -0.00053  -0.00035  -3.12630
   D127       0.01120   0.00000   0.00006  -0.00024  -0.00018   0.01101
   D128       0.00558   0.00000   0.00005  -0.00012  -0.00007   0.00550
   D129      -3.14151   0.00000  -0.00014   0.00035   0.00021  -3.14130
   D130      -3.13155   0.00000   0.00017  -0.00041  -0.00024  -3.13180
   D131       0.00454   0.00000  -0.00002   0.00006   0.00004   0.00459
   D132      -0.00482   0.00000  -0.00002   0.00013   0.00011  -0.00471
   D133       3.13432   0.00000  -0.00012   0.00027   0.00015   3.13448
   D134      -3.14091   0.00000   0.00016  -0.00034  -0.00018  -3.14109
   D135      -0.00177   0.00000   0.00007  -0.00021  -0.00013  -0.00191
   D136      -0.00315   0.00000  -0.00003   0.00012   0.00009  -0.00306
   D137       3.13187   0.00000  -0.00012   0.00015   0.00003   3.13189
   D138       3.14090   0.00000   0.00006  -0.00002   0.00004   3.14094
   D139      -0.00728   0.00000  -0.00003   0.00001  -0.00002  -0.00730
   D140      -1.81218   0.00038   0.00399   0.00503   0.00902  -1.80316
   D141       2.47401   0.00083   0.00377   0.00803   0.01181   2.48582
   D142       0.27212   0.00065   0.00374   0.00666   0.01039   0.28252
   D143       0.31952   0.00021   0.00356   0.00466   0.00823   0.32775
   D144      -1.67748   0.00066   0.00335   0.00766   0.01101  -1.66647
   D145       2.40382   0.00047   0.00332   0.00629   0.00960   2.41342
   D146       2.33313   0.00005   0.00326   0.00629   0.00955   2.34268
   D147       0.33613   0.00049   0.00305   0.00929   0.01234   0.34847
   D148      -1.86576   0.00031   0.00301   0.00791   0.01093  -1.85483
   D149       1.75746   0.00045   0.00185  -0.00784  -0.00599   1.75147
   D150      -2.39724  -0.00069   0.00136  -0.00994  -0.00857  -2.40581
   D151      -0.34767  -0.00001   0.00155  -0.00968  -0.00812  -0.35580
   D152      -1.08783  -0.00024  -0.00651   0.02352   0.01701  -1.07083
   D153       3.03752   0.00093  -0.00442   0.02646   0.02204   3.05956
   D154       1.03371   0.00030  -0.00542   0.02542   0.02001   1.05372
   D155      -3.13370  -0.00003  -0.00654   0.02759   0.02105  -3.11264
   D156       0.99166   0.00114  -0.00445   0.03053   0.02608   1.01774
   D157      -1.01215   0.00051  -0.00545   0.02950   0.02405  -0.98810
   D158       1.11797  -0.00024  -0.00633   0.02601   0.01968   1.13765
   D159      -1.03986   0.00093  -0.00424   0.02895   0.02471  -1.01515
   D160      -3.04367   0.00031  -0.00524   0.02791   0.02268  -3.02099
   D161       2.97621  -0.00023   0.00058   0.00421   0.00480   2.98100
   D162      -1.16422  -0.00041  -0.00020   0.00282   0.00262  -1.16160
   D163       0.83930  -0.00037   0.00018   0.00353   0.00371   0.84301
   D164      -1.18988   0.00033  -0.00072   0.00470   0.00398  -1.18590
   D165       0.95288   0.00015  -0.00151   0.00331   0.00180   0.95468
   D166       2.95639   0.00019  -0.00112   0.00401   0.00290   2.95929
   D167       0.85617   0.00018  -0.00062   0.00542   0.00480   0.86097
   D168       2.99893   0.00000  -0.00141   0.00403   0.00262   3.00156
   D169      -1.28074   0.00003  -0.00102   0.00473   0.00372  -1.27702
   D170       1.08853   0.00103   0.00718  -0.01505  -0.00787   1.08066
   D171      -1.35769   0.00077   0.00764  -0.01292  -0.00528  -1.36297
   D172      -1.06334   0.00083   0.00863  -0.01322  -0.00458  -1.06793
   D173       2.77362   0.00058   0.00910  -0.01109  -0.00199   2.77163
   D174       3.13422   0.00073   0.00838  -0.01576  -0.00738   3.12684
   D175       0.68800   0.00048   0.00884  -0.01363  -0.00479   0.68321
   D176       1.65479  -0.00017   0.00047  -0.00136  -0.00089   1.65390
   D177      -1.48961  -0.00015   0.00064  -0.00094  -0.00030  -1.48990
   D178      -0.48637   0.00016   0.00116   0.00047   0.00163  -0.48474
   D179       2.65241   0.00018   0.00133   0.00089   0.00222   2.65464
   D180      -2.49925  -0.00003   0.00117  -0.00163  -0.00046  -2.49971
   D181       0.63954  -0.00001   0.00134  -0.00121   0.00013   0.63967
   D182       3.13674   0.00001  -0.00001   0.00024   0.00023   3.13696
   D183      -0.01099  -0.00003  -0.00043   0.00020  -0.00023  -0.01122
   D184      -0.00207  -0.00001  -0.00018  -0.00018  -0.00036  -0.00243
   D185       3.13340  -0.00005  -0.00060  -0.00022  -0.00082   3.13258
   D186      -3.13639   0.00000   0.00002  -0.00018  -0.00016  -3.13655
   D187       0.00539  -0.00001  -0.00005  -0.00017  -0.00022   0.00516
   D188       0.00241   0.00002   0.00019   0.00024   0.00042   0.00283
   D189      -3.13900   0.00001   0.00012   0.00024   0.00037  -3.13864
   D190       0.00007   0.00000   0.00006   0.00001   0.00007   0.00014
   D191       3.14089  -0.00001  -0.00005   0.00007   0.00002   3.14091
   D192      -3.13536   0.00004   0.00048   0.00005   0.00053  -3.13483
   D193       0.00546   0.00003   0.00037   0.00011   0.00048   0.00594
   D194       0.00160   0.00001   0.00006   0.00010   0.00016   0.00176
   D195      -3.14064   0.00000  -0.00004   0.00010   0.00006  -3.14058
   D196      -3.13922   0.00002   0.00017   0.00004   0.00021  -3.13901
   D197       0.00173   0.00001   0.00007   0.00004   0.00011   0.00184
   D198      -0.00126   0.00000  -0.00005  -0.00005  -0.00010  -0.00136
   D199       3.14024   0.00000  -0.00010   0.00018   0.00008   3.14032
   D200       3.14098   0.00000   0.00005  -0.00004   0.00001   3.14098
   D201      -0.00071   0.00000   0.00000   0.00018   0.00019  -0.00053
   D202      -0.00075  -0.00001  -0.00007  -0.00012  -0.00019  -0.00094
   D203       3.14066   0.00000  -0.00001  -0.00013  -0.00014   3.14053
   D204       3.14094  -0.00001  -0.00003  -0.00035  -0.00037   3.14057
   D205      -0.00084   0.00000   0.00004  -0.00035  -0.00031  -0.00115
   D206       0.57661   0.00019  -0.00383   0.00650   0.00266   0.57927
   D207      -2.61251   0.00095  -0.00171   0.00365   0.00194  -2.61057
   D208       3.00303   0.00012  -0.00457   0.00583   0.00126   3.00429
   D209      -0.18609   0.00088  -0.00245   0.00299   0.00054  -0.18555
   D210       3.06971   0.00094  -0.00447   0.00591   0.00143   3.07114
   D211      -0.11523   0.00159  -0.00252   0.00317   0.00065  -0.11458
   D212      -1.14739   0.00291  -0.00318  -0.00053  -0.00373  -1.15112
   D213       3.04118   0.00141  -0.00393  -0.00270  -0.00662   3.03456
   D214       1.01974   0.00050  -0.00368  -0.00557  -0.00925   1.01049
   D215      -2.03770  -0.00111   0.01246  -0.00635   0.00612  -2.03159
   D216       1.08164  -0.00123   0.00972   0.00200   0.01172   1.09337
   D217      -0.08778  -0.00007   0.01293  -0.00129   0.01165  -0.07614
   D218       3.03156  -0.00019   0.01019   0.00706   0.01725   3.04882
   D219       2.12337   0.00091   0.01349  -0.00020   0.01329   2.13666
   D220      -1.04047   0.00079   0.01075   0.00815   0.01889  -1.02158
   D221       3.12942   0.00008  -0.00413   0.01646   0.01234  -3.14142
   D222      -0.02510   0.00002  -0.00513   0.01519   0.01006  -0.01503
   D223       0.00837   0.00023  -0.00157   0.00872   0.00716   0.01553
   D224       3.13704   0.00017  -0.00257   0.00745   0.00488  -3.14127
   D225      -3.14100   0.00006   0.00508  -0.01359  -0.00851   3.13367
   D226      -0.01724  -0.00003   0.00291  -0.00698  -0.00406  -0.02130
   D227       0.00943  -0.00037  -0.00131  -0.00591  -0.00721   0.00221
   D228      -3.12055  -0.00032  -0.00041  -0.00478  -0.00519  -3.12574
   D229      -0.02303   0.00034   0.00363   0.00012   0.00375  -0.01929
   D230      -3.12602   0.00024  -0.00018   0.00672   0.00653  -3.11949
   D231       0.02373  -0.00019  -0.00386   0.00401   0.00014   0.02388
   D232       3.12838  -0.00010  -0.00021  -0.00230  -0.00252   3.12586
   D233      -1.05345   0.00015  -0.00770   0.03943   0.03173  -1.02172
   D234       1.03719   0.00014  -0.00711   0.03680   0.02969   1.06688
   D235      -3.13736  -0.00002  -0.00955   0.03756   0.02800  -3.10936
   D236       3.06562  -0.00001  -0.00816   0.03866   0.03050   3.09612
   D237      -1.12692  -0.00002  -0.00758   0.03603   0.02846  -1.09846
   D238       0.98172  -0.00018  -0.01002   0.03679   0.02677   1.00849
   D239       0.99335   0.00012  -0.00815   0.04058   0.03243   1.02578
   D240       3.08399   0.00011  -0.00757   0.03795   0.03039   3.11438
   D241      -1.09055  -0.00005  -0.01001   0.03871   0.02870  -1.06185
   D242       2.97499  -0.00009   0.00207  -0.00399  -0.00193   2.97306
   D243      -1.23469  -0.00017   0.00175  -0.00409  -0.00233  -1.23702
   D244       0.89574  -0.00013   0.00200  -0.00485  -0.00285   0.89289
   D245      -1.12274   0.00027   0.00214  -0.00159   0.00055  -1.12219
   D246       0.95078   0.00019   0.00182  -0.00168   0.00014   0.95092
   D247       3.08120   0.00024   0.00206  -0.00244  -0.00037   3.08083
   D248       0.94942  -0.00001   0.00155  -0.00318  -0.00163   0.94779
   D249       3.02293  -0.00009   0.00124  -0.00328  -0.00204   3.02090
   D250      -1.12983  -0.00005   0.00148  -0.00404  -0.00255  -1.13238
   D251       0.00174   0.00002   0.00108  -0.00284  -0.00176  -0.00002
   D252       3.13970  -0.00004   0.00022  -0.00103  -0.00081   3.13890
         Item               Value     Threshold  Converged?
 Maximum Force            0.005789     0.000450     NO 
 RMS     Force            0.000594     0.000300     NO 
 Maximum Displacement     0.134611     0.001800     NO 
 RMS     Displacement     0.037683     0.001200     NO 
 Predicted change in Energy=-1.410015D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.758670   -2.043606    1.022264
      2          6           0       -9.334845   -1.079663   -0.090231
      3          6           0      -10.167895    0.205660   -0.077961
      4          6           0       -7.878047   -0.758411    0.026981
      5          7           0       -6.944800   -1.025653   -0.854421
      6          6           0       -5.661149   -0.590733   -0.431312
      7          6           0       -4.503369   -0.856048   -1.353241
      8          7           0       -3.882099    0.377486   -1.898477
      9          6           0       -4.732897    1.095812   -2.887530
     10          6           0       -3.063144    1.210511   -1.091838
     11          8           0       -2.851619    2.384207   -1.377734
     12          7           0       -2.448667    0.620920    0.053380
     13          6           0       -1.307870    1.364985    0.636140
     14          6           0       -0.017703    1.083262   -0.164610
     15          8           0        0.223047   -0.003938   -0.685039
     16          7           0        0.877448    2.137412   -0.254617
     17          6           0        2.178201    2.003647   -0.967225
     18          6           0        2.511679    3.326544   -1.691992
     19          6           0        2.622096    4.520644   -0.784994
     20          6           0        1.512222    5.358552   -0.591133
     21          6           0        1.609628    6.468412    0.252070
     22          6           0        2.812460    6.752429    0.906228
     23          6           0        3.921906    5.924379    0.708445
     24          6           0        3.830596    4.813573   -0.134442
     25          6           0        3.287824    1.576158    0.016430
     26          6           0        3.092272    0.130146    0.481015
     27          8           0        2.552176    0.165058    1.820342
     28          6           0        4.409172   -0.684616    0.652288
     29          6           0        5.172502   -0.804701   -0.676951
     30          6           0        6.542187   -1.392279   -0.478221
     31          6           0        6.744624   -2.770982   -0.644806
     32          6           0        8.017487   -3.316999   -0.465906
     33          6           0        9.094855   -2.493875   -0.120268
     34          6           0        8.894237   -1.120595    0.048246
     35          6           0        7.622485   -0.567967   -0.128918
     36          7           0        4.058823   -2.026910    1.216627
     37          6           0        3.231954   -2.864752    0.465629
     38          8           0        3.153677   -2.978732   -0.747727
     39          8           0        2.486077   -3.662748    1.324298
     40          6           0        1.499638   -4.535647    0.686619
     41          6           0        0.438426   -3.731167    0.051722
     42          6           0       -0.901340   -3.653333    0.315006
     43          7           0       -1.627852   -2.763706   -0.504756
     44          6           0       -0.845868   -2.170523   -1.387964
     45         16           0        0.845239   -2.638663   -1.256609
     46          6           0       -1.141449    0.961349    2.130736
     47          6           0       -0.720066   -0.499619    2.300447
     48          6           0       -0.152382    1.899793    2.826183
     49          6           0       -5.626480    0.018956    0.790369
     50         16           0       -7.224078    0.069460    1.467536
     51          1           0      -10.794957   -2.372299    0.880108
     52          1           0       -9.128941   -2.942419    1.035381
     53          1           0       -9.698159   -1.585519    2.016528
     54          1           0       -9.493309   -1.593654   -1.081506
     55          1           0      -10.112119    0.729885    0.883468
     56          1           0       -9.835934    0.906516   -0.854203
     57          1           0      -11.225764   -0.013370   -0.265296
     58          1           0       -3.732619   -1.478755   -0.830100
     59          1           0       -4.839004   -1.479379   -2.222202
     60          1           0       -4.839984    0.465005   -3.784996
     61          1           0       -4.250305    2.046065   -3.186768
     62          1           0       -5.736107    1.328625   -2.494911
     63          1           0       -2.333847   -0.402241    0.074127
     64          1           0       -1.559713    2.465521    0.578519
     65          1           0        0.707665    3.021527    0.221706
     66          1           0        2.055452    1.198508   -1.749464
     67          1           0        1.734845    3.510148   -2.468116
     68          1           0        3.452789    3.194105   -2.265842
     69          1           0        0.574559    5.153744   -1.107712
     70          1           0        0.745400    7.116078    0.396104
     71          1           0        2.886438    7.616970    1.562705
     72          1           0        4.862188    6.146731    1.211354
     73          1           0        4.702024    4.181136   -0.288528
     74          1           0        3.297320    2.240641    0.908017
     75          1           0        4.278333    1.710896   -0.458701
     76          1           0        2.377826   -0.415054   -0.188570
     77          1           0        1.568690    0.010007    1.795549
     78          1           0        5.059003   -0.187335    1.422527
     79          1           0        4.587316   -1.425619   -1.399136
     80          1           0        5.246814    0.195024   -1.153318
     81          1           0        5.902777   -3.412761   -0.908099
     82          1           0        8.170756   -4.387121   -0.595328
     83          1           0       10.085124   -2.921711    0.017470
     84          1           0        9.730505   -0.478395    0.318274
     85          1           0        7.475195    0.500430    0.005030
     86          1           0        3.871540   -2.002476    2.229463
     87          1           0        1.148726   -5.120953    1.562171
     88          1           0        2.030165   -5.191485   -0.032918
     89          1           0       -1.455135   -4.205236    1.067076
     90          1           0       -1.171449   -1.430538   -2.113703
     91          1           0       -2.148383    1.094233    2.609299
     92          1           0       -1.441622   -1.193077    1.847478
     93          1           0        0.254320   -0.716659    1.828648
     94          1           0       -0.640248   -0.772006    3.359998
     95          1           0       -0.157306    1.733988    3.911324
     96          1           0        0.885523    1.742278    2.495885
     97          1           0       -0.398192    2.954949    2.667896
     98          1           0       -4.773258    0.428901    1.307551
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0820362      0.0286632      0.0231630
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3656.3717320862 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258265450219     A.U. after   17 cycles
             Convg  =    0.6300D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000020568    0.000006233   -0.000001564
      2        6           0.000007884   -0.000007417   -0.000024895
      3        6          -0.000007837    0.000015020    0.000028827
      4        6          -0.000079515   -0.000005770    0.000240299
      5        7           0.000069746   -0.000095862   -0.000154053
      6        6          -0.000259034   -0.000170921   -0.000177771
      7        6           0.000232337   -0.000014144    0.000147736
      8        7          -0.000282860   -0.000010261    0.000132778
      9        6           0.000040595    0.000026728    0.000052427
     10        6           0.000322553   -0.000301010    0.000253928
     11        8          -0.000247225    0.000243656    0.000344272
     12        7          -0.000042733   -0.000560714   -0.000541472
     13        6           0.000109721    0.000213199   -0.000092298
     14        6           0.000215583    0.000205038    0.000070713
     15        8          -0.000151431   -0.000108859   -0.000075969
     16        7           0.000244410    0.000149299   -0.000156890
     17        6           0.000046742    0.000013041   -0.000098574
     18        6          -0.000000395    0.000071359   -0.000035049
     19        6           0.000026690   -0.000075799    0.000031470
     20        6           0.000072726   -0.000009770    0.000054542
     21        6           0.000005692   -0.000009908    0.000003412
     22        6           0.000012117   -0.000000077    0.000011108
     23        6           0.000020183   -0.000041582    0.000001586
     24        6          -0.000069347    0.000012501   -0.000058287
     25        6           0.000090766   -0.000346087   -0.000084892
     26        6           0.000003591   -0.000056605    0.000185923
     27        8          -0.000471672   -0.000053820    0.000015011
     28        6           0.000480017    0.000056665    0.000081541
     29        6          -0.000098791    0.000259945    0.000152474
     30        6          -0.000084187   -0.000090444   -0.000030947
     31        6           0.000090118    0.000084390   -0.000077602
     32        6          -0.000147295   -0.000064133    0.000018931
     33        6           0.000003011    0.000093734    0.000039786
     34        6           0.000085071   -0.000022761   -0.000041563
     35        6          -0.000059790   -0.000056133    0.000020852
     36        7          -0.000324820   -0.000195144   -0.000180501
     37        6          -0.000438275    0.001115470   -0.000815549
     38        8           0.000620424   -0.000559527    0.000420860
     39        8           0.000398828   -0.000445758    0.000130920
     40        6           0.000138300   -0.000111509    0.001056882
     41        6          -0.000459170   -0.000280186   -0.001744849
     42        6           0.000487952    0.000403544    0.000034791
     43        7          -0.000212152    0.000189501    0.000162507
     44        6           0.000051070   -0.000561708   -0.000129407
     45       16          -0.000172551    0.000144418    0.001144120
     46        6          -0.000202951    0.000226715    0.000241941
     47        6           0.000130973   -0.000314553    0.000146308
     48        6          -0.000044698    0.000127992   -0.000040691
     49        6          -0.000203356    0.000299839    0.000111937
     50       16           0.000001242   -0.000004670   -0.000207088
     51        1           0.000009846   -0.000022500   -0.000007459
     52        1           0.000035886    0.000003686   -0.000029743
     53        1          -0.000013964   -0.000002826    0.000001020
     54        1          -0.000021646    0.000014594   -0.000014372
     55        1          -0.000014224   -0.000005026   -0.000004457
     56        1          -0.000004214    0.000004009    0.000000153
     57        1           0.000020670    0.000006579    0.000003546
     58        1           0.000025489   -0.000167246   -0.000074102
     59        1           0.000047751    0.000066948    0.000016693
     60        1           0.000019701    0.000008550   -0.000007728
     61        1           0.000013142   -0.000023916   -0.000006308
     62        1           0.000017013    0.000030002    0.000024465
     63        1          -0.000241739    0.000272426    0.000124127
     64        1          -0.000128177    0.000136354    0.000141791
     65        1           0.000032535   -0.000090090    0.000069763
     66        1          -0.000095028    0.000087400   -0.000043930
     67        1          -0.000000343   -0.000015339   -0.000084795
     68        1          -0.000024286    0.000023279    0.000050652
     69        1           0.000001631   -0.000007191   -0.000022978
     70        1          -0.000005694   -0.000008574   -0.000003662
     71        1           0.000005265   -0.000000267   -0.000009461
     72        1          -0.000008081   -0.000008704   -0.000002858
     73        1          -0.000004297    0.000006515    0.000010564
     74        1          -0.000056020   -0.000001080   -0.000026225
     75        1          -0.000091158    0.000119459   -0.000130548
     76        1           0.000005606   -0.000026254    0.000091079
     77        1           0.000274931    0.000075220   -0.000030752
     78        1           0.000094522   -0.000077695    0.000193197
     79        1           0.000030514    0.000084336    0.000100932
     80        1          -0.000002817   -0.000052496   -0.000099553
     81        1           0.000019776   -0.000018042    0.000041849
     82        1          -0.000002744    0.000003309    0.000006902
     83        1           0.000006116   -0.000004627   -0.000005262
     84        1          -0.000002324    0.000009854    0.000009588
     85        1           0.000004421    0.000023267    0.000017668
     86        1          -0.000034743    0.000037885    0.000010715
     87        1          -0.000160445    0.000103491   -0.000387199
     88        1          -0.000087424    0.000207070   -0.000031649
     89        1          -0.000060478   -0.000238739    0.000020509
     90        1           0.000103175   -0.000017436    0.000006184
     91        1           0.000044405    0.000190307    0.000014913
     92        1           0.000020699    0.000152689   -0.000162353
     93        1           0.000307324   -0.000081796    0.000029089
     94        1           0.000014687   -0.000173198   -0.000342453
     95        1          -0.000063871   -0.000023929    0.000115974
     96        1          -0.000077570    0.000047978   -0.000051340
     97        1           0.000070381   -0.000001266    0.000007290
     98        1           0.000048108   -0.000030121   -0.000097449
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001744849 RMS     0.000223043

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002310727 RMS     0.000298783
 Search for a local minimum.
 Step number  58 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   55   56   57   58
 DE= -1.36D-04 DEPred=-1.41D-04 R= 9.62D-01
 SS=  1.41D+00  RLast= 1.53D-01 DXNew= 1.2520D+00 4.5825D-01
 Trust test= 9.62D-01 RLast= 1.53D-01 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00122   0.00166   0.00202   0.00249   0.00285
     Eigenvalues ---    0.00364   0.00388   0.00522   0.00621   0.00624
     Eigenvalues ---    0.00730   0.00801   0.00876   0.00941   0.00966
     Eigenvalues ---    0.01002   0.01096   0.01164   0.01188   0.01286
     Eigenvalues ---    0.01312   0.01375   0.01440   0.01469   0.01481
     Eigenvalues ---    0.01509   0.01576   0.01637   0.01742   0.01754
     Eigenvalues ---    0.01835   0.01927   0.02089   0.02094   0.02194
     Eigenvalues ---    0.02203   0.02220   0.02226   0.02257   0.02268
     Eigenvalues ---    0.02290   0.02328   0.02372   0.02404   0.02408
     Eigenvalues ---    0.02414   0.02446   0.02465   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02584   0.02619   0.02686
     Eigenvalues ---    0.02696   0.02865   0.02972   0.03341   0.03811
     Eigenvalues ---    0.03997   0.04089   0.04141   0.04174   0.04314
     Eigenvalues ---    0.04551   0.04659   0.04888   0.04949   0.04980
     Eigenvalues ---    0.05125   0.05188   0.05212   0.05337   0.05394
     Eigenvalues ---    0.05436   0.05449   0.05492   0.05529   0.05563
     Eigenvalues ---    0.05607   0.05721   0.05757   0.05812   0.05858
     Eigenvalues ---    0.05862   0.05976   0.05989   0.06052   0.06249
     Eigenvalues ---    0.06489   0.06723   0.06891   0.07010   0.07086
     Eigenvalues ---    0.07523   0.07875   0.08366   0.08570   0.08840
     Eigenvalues ---    0.09326   0.09669   0.09868   0.10142   0.10355
     Eigenvalues ---    0.12093   0.12899   0.13131   0.13242   0.13456
     Eigenvalues ---    0.13801   0.13964   0.14438   0.15217   0.15602
     Eigenvalues ---    0.15679   0.15764   0.15949   0.15974   0.15979
     Eigenvalues ---    0.15987   0.15993   0.15996   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16004   0.16008   0.16013
     Eigenvalues ---    0.16025   0.16031   0.16061   0.16086   0.16111
     Eigenvalues ---    0.16179   0.16244   0.16329   0.16881   0.17127
     Eigenvalues ---    0.17329   0.17753   0.17987   0.18435   0.18640
     Eigenvalues ---    0.19090   0.19649   0.20513   0.20648   0.21714
     Eigenvalues ---    0.21824   0.21989   0.22000   0.22001   0.22015
     Eigenvalues ---    0.22029   0.22312   0.22565   0.23067   0.23159
     Eigenvalues ---    0.23457   0.23494   0.23584   0.23692   0.24099
     Eigenvalues ---    0.24310   0.24698   0.24711   0.24982   0.25029
     Eigenvalues ---    0.25048   0.25073   0.25292   0.25551   0.26689
     Eigenvalues ---    0.27590   0.29007   0.29336   0.29542   0.29795
     Eigenvalues ---    0.29918   0.29993   0.30110   0.30383   0.30440
     Eigenvalues ---    0.30612   0.30689   0.30862   0.31339   0.31425
     Eigenvalues ---    0.31446   0.31499   0.31575   0.31660   0.31748
     Eigenvalues ---    0.31834   0.31969   0.32114   0.32307   0.32363
     Eigenvalues ---    0.32566   0.32613   0.32680   0.32771   0.32822
     Eigenvalues ---    0.32833   0.32947   0.32984   0.33051   0.33070
     Eigenvalues ---    0.33138   0.33186   0.33359   0.33400   0.33565
     Eigenvalues ---    0.33579   0.33674   0.33710   0.33733   0.33920
     Eigenvalues ---    0.33970   0.34026   0.34174   0.34192   0.34252
     Eigenvalues ---    0.34372   0.34447   0.34503   0.34544   0.34616
     Eigenvalues ---    0.34739   0.35391   0.36244   0.36306   0.36317
     Eigenvalues ---    0.36376   0.36626   0.36823   0.36942   0.37076
     Eigenvalues ---    0.37298   0.38486   0.38946   0.39365   0.40175
     Eigenvalues ---    0.41000   0.41544   0.42506   0.42614   0.43049
     Eigenvalues ---    0.43297   0.43476   0.43915   0.44441   0.45005
     Eigenvalues ---    0.45263   0.46957   0.47344   0.47758   0.48356
     Eigenvalues ---    0.48495   0.48670   0.48916   0.49143   0.49773
     Eigenvalues ---    0.50319   0.50708   0.51082   0.51276   0.51417
     Eigenvalues ---    0.55746   0.56940   0.58115   0.59278   0.61140
     Eigenvalues ---    0.63463   0.65220   0.76837   0.78666   0.84861
     Eigenvalues ---    1.22111   1.66507   2.513411000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    58   57   56
 RFO step:  Lambda=-4.41906058D-05.
 DIIS coeffs:      1.00204      0.03655     -0.03859
 Iteration  1 RMS(Cart)=  0.02219828 RMS(Int)=  0.00006252
 Iteration  2 RMS(Cart)=  0.00020787 RMS(Int)=  0.00000299
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000299
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89471  -0.00004   0.00001  -0.00009  -0.00009   2.89463
    R2        2.07193  -0.00001  -0.00001  -0.00013  -0.00013   2.07180
    R3        2.07405  -0.00004   0.00001  -0.00010  -0.00009   2.07396
    R4        2.07187   0.00000   0.00000   0.00002   0.00002   2.07189
    R5        2.89454  -0.00003   0.00001  -0.00006  -0.00005   2.89449
    R6        2.82778  -0.00001   0.00002  -0.00002   0.00000   2.82778
    R7        2.13122   0.00002  -0.00001  -0.00003  -0.00004   2.13119
    R8        2.07205   0.00000   0.00000  -0.00002  -0.00002   2.07202
    R9        2.07349   0.00000   0.00000  -0.00013  -0.00014   2.07336
   R10        2.07195   0.00002  -0.00001   0.00000   0.00000   2.07195
   R11        2.47780  -0.00003   0.00002   0.00013   0.00015   2.47795
   R12        3.37423  -0.00008  -0.00001  -0.00061  -0.00061   3.37362
   R13        2.68310  -0.00003  -0.00001  -0.00026  -0.00028   2.68283
   R14        2.84138  -0.00053   0.00007  -0.00113  -0.00106   2.84032
   R15        2.58100  -0.00028   0.00001  -0.00015  -0.00013   2.58087
   R16        2.80602  -0.00028  -0.00002   0.00059   0.00057   2.80658
   R17        2.11742  -0.00006  -0.00005   0.00002  -0.00002   2.11739
   R18        2.11808   0.00006   0.00002   0.00000   0.00002   2.11811
   R19        2.81441   0.00001  -0.00001   0.00040   0.00039   2.81480
   R20        2.68267  -0.00015  -0.00008   0.00138   0.00130   2.68397
   R21        2.08284   0.00001  -0.00001   0.00008   0.00007   2.08292
   R22        2.09190   0.00002   0.00000  -0.00006  -0.00007   2.09183
   R23        2.08280   0.00002   0.00000  -0.00015  -0.00014   2.08266
   R24        2.31755  -0.00044   0.00005  -0.00018  -0.00013   2.31741
   R25        2.69690  -0.00062  -0.00005   0.00021   0.00017   2.69707
   R26        2.79951  -0.00063   0.00006   0.00036   0.00042   2.79994
   R27        1.94603   0.00037  -0.00013   0.00094   0.00081   1.94684
   R28        2.91845  -0.00027   0.00005   0.00006   0.00010   2.91855
   R29        2.94242  -0.00010   0.00000   0.00025   0.00025   2.94266
   R30        2.13625  -0.00023   0.00004  -0.00039  -0.00034   2.13591
   R31        2.32276  -0.00002   0.00003   0.00020   0.00024   2.32299
   R32        2.61891   0.00010  -0.00004   0.00021   0.00017   2.61908
   R33        2.81415   0.00001  -0.00003   0.00062   0.00059   2.81473
   R34        1.92471   0.00009   0.00001   0.00036   0.00037   1.92508
   R35        2.91934   0.00008  -0.00003  -0.00019  -0.00022   2.91912
   R36        2.91630   0.00018   0.00003   0.00097   0.00100   2.91730
   R37        2.13398   0.00011  -0.00003   0.00035   0.00032   2.13430
   R38        2.84133   0.00015  -0.00001   0.00021   0.00021   2.84154
   R39        2.10393   0.00005  -0.00002   0.00012   0.00010   2.10403
   R40        2.09796   0.00000   0.00001   0.00003   0.00004   2.09800
   R41        2.65336   0.00008  -0.00001   0.00007   0.00006   2.65343
   R42        2.65202   0.00005  -0.00001  -0.00002  -0.00002   2.65200
   R43        2.64039   0.00002   0.00000  -0.00008  -0.00008   2.64031
   R44        2.05973   0.00000   0.00000   0.00001   0.00002   2.05974
   R45        2.64251   0.00000   0.00001  -0.00002  -0.00002   2.64249
   R46        2.05894   0.00000   0.00000  -0.00002  -0.00002   2.05892
   R47        2.64268   0.00001   0.00000  -0.00010  -0.00010   2.64258
   R48        2.05613   0.00000   0.00000  -0.00004  -0.00004   2.05609
   R49        2.64068   0.00006   0.00000   0.00010   0.00010   2.64078
   R50        2.05840   0.00001   0.00000   0.00003   0.00003   2.05844
   R51        2.05547   0.00001   0.00001   0.00003   0.00003   2.05550
   R52        2.89383   0.00027  -0.00005   0.00077   0.00072   2.89455
   R53        2.10138  -0.00003  -0.00003  -0.00015  -0.00018   2.10120
   R54        2.09155   0.00012  -0.00001   0.00078   0.00078   2.09233
   R55        2.72980  -0.00012   0.00000  -0.00026  -0.00026   2.72954
   R56        2.94421  -0.00021  -0.00005  -0.00063  -0.00068   2.94353
   R57        2.11786  -0.00004   0.00006   0.00008   0.00014   2.11800
   R58        1.88206   0.00027   0.00002   0.00111   0.00113   1.88319
   R59        2.90549   0.00008  -0.00001  -0.00028  -0.00029   2.90520
   R60        2.83016  -0.00036   0.00017   0.00026   0.00043   2.83059
   R61        2.12360   0.00010  -0.00001   0.00033   0.00032   2.12392
   R62        2.84137   0.00009  -0.00001   0.00010   0.00009   2.84146
   R63        2.11238   0.00007  -0.00001  -0.00025  -0.00025   2.11213
   R64        2.09742   0.00011   0.00000   0.00086   0.00086   2.09828
   R65        2.65206   0.00004  -0.00001  -0.00026  -0.00027   2.65179
   R66        2.65138   0.00000   0.00002   0.00011   0.00013   2.65150
   R67        2.63907   0.00011   0.00001   0.00027   0.00027   2.63935
   R68        2.06137   0.00000  -0.00001  -0.00003  -0.00004   2.06133
   R69        2.64408  -0.00007   0.00000  -0.00027  -0.00027   2.64381
   R70        2.05746   0.00001   0.00000   0.00004   0.00004   2.05750
   R71        2.64193   0.00006   0.00001   0.00012   0.00013   2.64206
   R72        2.05507  -0.00001   0.00000  -0.00007  -0.00007   2.05500
   R73        2.64166  -0.00005   0.00000  -0.00019  -0.00019   2.64147
   R74        2.05684  -0.00001   0.00000  -0.00002  -0.00002   2.05681
   R75        2.05373  -0.00002   0.00001  -0.00003  -0.00003   2.05370
   R76        2.63865   0.00002   0.00023   0.00101   0.00124   2.63989
   R77        1.94698  -0.00002   0.00002  -0.00026  -0.00023   1.94674
   R78        2.30775  -0.00075  -0.00002  -0.00063  -0.00064   2.30711
   R79        2.62559   0.00006  -0.00009   0.00056   0.00047   2.62606
   R80        2.76550  -0.00029  -0.00011   0.00002  -0.00010   2.76540
   R81        2.78788   0.00008  -0.00007   0.00110   0.00103   2.78891
   R82        2.09778  -0.00040   0.00016  -0.00019  -0.00003   2.09775
   R83        2.09522   0.00020  -0.00004   0.00089   0.00086   2.09608
   R84        2.58440   0.00025   0.00000   0.00069   0.00069   2.58509
   R85        3.31150  -0.00104   0.00005  -0.00272  -0.00267   3.30883
   R86        2.66664  -0.00021   0.00000  -0.00083  -0.00084   2.66580
   R87        2.05007  -0.00005   0.00001  -0.00018  -0.00017   2.04989
   R88        2.49517   0.00011   0.00004   0.00084   0.00088   2.49605
   R89        3.32519   0.00010  -0.00006  -0.00039  -0.00045   3.32475
   R90        2.05301   0.00004  -0.00004   0.00024   0.00019   2.05320
   R91        2.89121  -0.00070   0.00014  -0.00116  -0.00102   2.89020
   R92        2.89232  -0.00010  -0.00002  -0.00074  -0.00076   2.89156
   R93        2.12171   0.00005  -0.00003  -0.00031  -0.00034   2.12138
   R94        2.07587   0.00014   0.00008   0.00070   0.00079   2.07666
   R95        2.08652  -0.00031   0.00000  -0.00079  -0.00079   2.08573
   R96        2.07286  -0.00026   0.00000  -0.00074  -0.00074   2.07212
   R97        2.07444   0.00011  -0.00004   0.00013   0.00009   2.07453
   R98        2.07969   0.00008  -0.00001   0.00005   0.00004   2.07973
   R99        2.06908   0.00003   0.00000   0.00013   0.00013   2.06921
   R100       3.28042  -0.00006  -0.00001  -0.00063  -0.00063   3.27979
   R101       2.03838  -0.00001  -0.00002  -0.00001  -0.00003   2.03835
    A1        1.93477  -0.00001   0.00000   0.00000   0.00000   1.93478
    A2        1.94472  -0.00001   0.00001   0.00006   0.00007   1.94479
    A3        1.96104   0.00000   0.00001   0.00003   0.00004   1.96108
    A4        1.87375   0.00001  -0.00001  -0.00008  -0.00008   1.87367
    A5        1.87025   0.00000   0.00000   0.00013   0.00013   1.87038
    A6        1.87513   0.00001  -0.00002  -0.00015  -0.00017   1.87496
    A7        1.95170  -0.00002   0.00001  -0.00019  -0.00018   1.95151
    A8        1.92577   0.00001   0.00000  -0.00010  -0.00010   1.92567
    A9        1.88880   0.00000  -0.00001   0.00015   0.00015   1.88895
   A10        1.92698  -0.00001   0.00002  -0.00004  -0.00002   1.92695
   A11        1.88921   0.00001  -0.00002  -0.00002  -0.00004   1.88916
   A12        1.87914   0.00000  -0.00001   0.00023   0.00022   1.87936
   A13        1.96119  -0.00001   0.00001   0.00002   0.00003   1.96121
   A14        1.94527  -0.00001   0.00001  -0.00021  -0.00020   1.94507
   A15        1.93450   0.00001  -0.00001   0.00001   0.00000   1.93450
   A16        1.87501   0.00000   0.00000   0.00013   0.00013   1.87514
   A17        1.86963   0.00000  -0.00001  -0.00002  -0.00003   1.86960
   A18        1.87405   0.00000   0.00000   0.00009   0.00009   1.87414
   A19        2.20994   0.00000  -0.00001  -0.00022  -0.00023   2.20971
   A20        2.11682   0.00003   0.00000   0.00008   0.00008   2.11690
   A21        1.95643  -0.00003   0.00001   0.00014   0.00015   1.95657
   A22        1.96139  -0.00004  -0.00001  -0.00024  -0.00025   1.96113
   A23        2.04810   0.00009  -0.00002   0.00048   0.00045   2.04855
   A24        2.01113   0.00007   0.00001  -0.00003  -0.00002   2.01111
   A25        2.22392  -0.00016   0.00001  -0.00044  -0.00043   2.22349
   A26        1.98311  -0.00037   0.00001  -0.00012  -0.00012   1.98299
   A27        1.91926   0.00012   0.00006   0.00027   0.00033   1.91959
   A28        1.92081   0.00008  -0.00003  -0.00034  -0.00038   1.92044
   A29        1.92336  -0.00001  -0.00007  -0.00025  -0.00032   1.92304
   A30        1.87822   0.00018   0.00001  -0.00051  -0.00050   1.87772
   A31        1.83266   0.00002   0.00003   0.00102   0.00106   1.83372
   A32        1.98833  -0.00001   0.00019  -0.00296  -0.00281   1.98553
   A33        2.11788  -0.00022   0.00005  -0.00274  -0.00273   2.11515
   A34        2.00852   0.00018   0.00011  -0.00256  -0.00249   2.00604
   A35        1.89674   0.00003   0.00001  -0.00062  -0.00061   1.89614
   A36        1.92250   0.00001   0.00001  -0.00009  -0.00008   1.92242
   A37        1.96632  -0.00003  -0.00002   0.00054   0.00052   1.96684
   A38        1.88971   0.00000   0.00001  -0.00021  -0.00020   1.88952
   A39        1.89918  -0.00002   0.00001   0.00000   0.00001   1.89919
   A40        1.88786   0.00001  -0.00002   0.00035   0.00033   1.88819
   A41        2.12777   0.00028  -0.00001  -0.00002  -0.00002   2.12775
   A42        2.05097  -0.00028  -0.00005   0.00039   0.00034   2.05131
   A43        2.10387  -0.00001   0.00003  -0.00043  -0.00039   2.10348
   A44        2.02610   0.00022   0.00008   0.00013   0.00021   2.02631
   A45        2.06535  -0.00010   0.00021  -0.00090  -0.00069   2.06467
   A46        1.98804  -0.00015   0.00008  -0.00018  -0.00010   1.98793
   A47        1.92594  -0.00039   0.00002   0.00149   0.00151   1.92744
   A48        1.90678  -0.00016   0.00007  -0.00017  -0.00010   1.90668
   A49        1.87272   0.00025   0.00011   0.00042   0.00053   1.87326
   A50        1.94026   0.00041  -0.00017   0.00041   0.00024   1.94050
   A51        1.91481   0.00001   0.00000  -0.00131  -0.00131   1.91351
   A52        1.90192  -0.00012  -0.00002  -0.00086  -0.00089   1.90103
   A53        2.14660  -0.00028   0.00006   0.00117   0.00123   2.14783
   A54        2.02029   0.00102  -0.00007  -0.00001  -0.00008   2.02021
   A55        2.11623  -0.00074   0.00001  -0.00117  -0.00116   2.11507
   A56        2.12579  -0.00174   0.00002  -0.00205  -0.00203   2.12376
   A57        2.12026   0.00083   0.00003   0.00089   0.00092   2.12118
   A58        2.03461   0.00090  -0.00003   0.00091   0.00089   2.03550
   A59        1.91360   0.00041   0.00006   0.00069   0.00075   1.91435
   A60        1.92614  -0.00016   0.00004   0.00078   0.00082   1.92696
   A61        1.87609  -0.00029  -0.00002  -0.00071  -0.00073   1.87536
   A62        1.96171   0.00015   0.00000   0.00021   0.00021   1.96192
   A63        1.88497   0.00002  -0.00001  -0.00003  -0.00004   1.88493
   A64        1.89883  -0.00016  -0.00007  -0.00103  -0.00109   1.89774
   A65        1.99646   0.00000   0.00002  -0.00027  -0.00025   1.99621
   A66        1.89404   0.00005   0.00000   0.00049   0.00049   1.89453
   A67        1.90005  -0.00004   0.00000  -0.00051  -0.00051   1.89953
   A68        1.91855  -0.00002  -0.00001  -0.00005  -0.00007   1.91848
   A69        1.92228   0.00002  -0.00002   0.00030   0.00028   1.92256
   A70        1.82432   0.00000   0.00001   0.00008   0.00009   1.82442
   A71        2.09344   0.00004   0.00000   0.00012   0.00011   2.09355
   A72        2.10440  -0.00003  -0.00001  -0.00019  -0.00019   2.10421
   A73        2.08532  -0.00002   0.00001   0.00007   0.00008   2.08540
   A74        2.09698   0.00000   0.00000  -0.00007  -0.00008   2.09690
   A75        2.09721   0.00001   0.00000   0.00000   0.00000   2.09721
   A76        2.08891  -0.00001   0.00001   0.00006   0.00007   2.08898
   A77        2.09857   0.00001   0.00000   0.00004   0.00004   2.09861
   A78        2.09054   0.00000   0.00000   0.00008   0.00008   2.09062
   A79        2.09407  -0.00001   0.00000  -0.00012  -0.00012   2.09395
   A80        2.08977   0.00001   0.00000   0.00004   0.00004   2.08981
   A81        2.09684  -0.00001   0.00000  -0.00006  -0.00006   2.09678
   A82        2.09656   0.00000   0.00000   0.00002   0.00002   2.09658
   A83        2.09920   0.00000   0.00000   0.00000   0.00000   2.09920
   A84        2.09286   0.00000   0.00000   0.00006   0.00006   2.09292
   A85        2.09112   0.00000   0.00000  -0.00006  -0.00006   2.09106
   A86        2.09648  -0.00001   0.00000  -0.00008  -0.00008   2.09640
   A87        2.09771   0.00000   0.00000   0.00001   0.00001   2.09772
   A88        2.08897   0.00001   0.00000   0.00007   0.00007   2.08905
   A89        1.94242  -0.00148  -0.00001  -0.00041  -0.00042   1.94200
   A90        1.93015   0.00076   0.00003   0.00111   0.00114   1.93129
   A91        1.91360   0.00009  -0.00004  -0.00095  -0.00099   1.91261
   A92        1.89874   0.00006   0.00004  -0.00044  -0.00040   1.89834
   A93        1.93850   0.00086  -0.00006   0.00063   0.00057   1.93907
   A94        1.83776  -0.00020   0.00004   0.00012   0.00016   1.83792
   A95        1.88200  -0.00037  -0.00001  -0.00078  -0.00079   1.88121
   A96        2.00339   0.00157   0.00008   0.00199   0.00207   2.00545
   A97        1.93854  -0.00045  -0.00005   0.00003  -0.00002   1.93852
   A98        1.79953  -0.00036  -0.00006  -0.00037  -0.00042   1.79910
   A99        1.90429   0.00028   0.00006   0.00020   0.00025   1.90455
   A100       1.92849  -0.00068  -0.00002  -0.00115  -0.00116   1.92732
   A101       1.92023  -0.00002   0.00008   0.00066   0.00074   1.92097
   A102       1.94490   0.00021   0.00005   0.00066   0.00071   1.94561
   A103       1.88851  -0.00069   0.00001   0.00208   0.00208   1.89059
   A104       1.90997   0.00031  -0.00011  -0.00158  -0.00169   1.90828
   A105       1.95186   0.00003   0.00018  -0.00309  -0.00291   1.94895
   A106       1.91775  -0.00008  -0.00007   0.00234   0.00227   1.92002
   A107       1.84794   0.00021  -0.00006  -0.00049  -0.00055   1.84739
   A108       1.94820   0.00006   0.00000   0.00022   0.00022   1.94842
   A109       1.91987  -0.00009   0.00003  -0.00102  -0.00098   1.91888
   A110       1.91128   0.00002  -0.00007  -0.00026  -0.00033   1.91095
   A111       1.92325   0.00000   0.00006   0.00013   0.00019   1.92344
   A112       1.92594  -0.00004   0.00000   0.00000   0.00000   1.92594
   A113       1.83184   0.00004  -0.00002   0.00096   0.00094   1.83278
   A114       2.09395  -0.00007   0.00004  -0.00006  -0.00003   2.09393
   A115       2.09984   0.00006  -0.00003  -0.00004  -0.00007   2.09977
   A116       2.08939   0.00001  -0.00001   0.00010   0.00009   2.08948
   A117       2.09481  -0.00001   0.00000  -0.00004  -0.00004   2.09478
   A118       2.08899   0.00000   0.00002   0.00000   0.00002   2.08901
   A119       2.09936   0.00001  -0.00002   0.00003   0.00001   2.09938
   A120       2.09838  -0.00002   0.00001  -0.00004  -0.00004   2.09834
   A121       2.09135   0.00001  -0.00001  -0.00001  -0.00002   2.09133
   A122       2.09345   0.00001   0.00000   0.00005   0.00006   2.09351
   A123       2.09110   0.00001   0.00000   0.00002   0.00002   2.09113
   A124       2.09555   0.00000   0.00000   0.00003   0.00003   2.09559
   A125       2.09653  -0.00001   0.00000  -0.00006  -0.00006   2.09647
   A126       2.09855   0.00003  -0.00001   0.00005   0.00005   2.09860
   A127       2.09349  -0.00002   0.00000  -0.00009  -0.00009   2.09341
   A128       2.09114   0.00000   0.00001   0.00003   0.00004   2.09118
   A129       2.09413  -0.00001   0.00001  -0.00010  -0.00009   2.09404
   A130       2.09891  -0.00001  -0.00001   0.00007   0.00006   2.09897
   A131       2.09014   0.00002   0.00000   0.00003   0.00003   2.09018
   A132       2.06423  -0.00153   0.00017  -0.00048  -0.00031   2.06392
   A133       1.97327   0.00062  -0.00001   0.00102   0.00101   1.97428
   A134       2.02118   0.00031  -0.00009  -0.00064  -0.00073   2.02045
   A135       2.25022   0.00004  -0.00002  -0.00143  -0.00145   2.24877
   A136       1.90725   0.00018  -0.00003  -0.00023  -0.00026   1.90698
   A137       2.12471  -0.00017   0.00004   0.00185   0.00188   2.12660
   A138       2.02099  -0.00216   0.00027  -0.00047  -0.00020   2.02079
   A139       1.92531  -0.00231   0.00029  -0.00087  -0.00059   1.92472
   A140       1.75574   0.00091  -0.00012   0.00270   0.00258   1.75832
   A141       1.88922   0.00072  -0.00002   0.00028   0.00026   1.88948
   A142       1.98183   0.00063  -0.00013   0.00049   0.00036   1.98219
   A143       1.96868   0.00029  -0.00010  -0.00118  -0.00128   1.96739
   A144       1.92968  -0.00022   0.00009  -0.00101  -0.00092   1.92876
   A145       2.28216   0.00018  -0.00019  -0.00379  -0.00398   2.27819
   A146       2.08781  -0.00046   0.00023   0.00318   0.00342   2.09122
   A147       1.91312   0.00028  -0.00004   0.00064   0.00060   1.91372
   A148       2.01353  -0.00019   0.00005  -0.00026  -0.00021   2.01332
   A149       2.22006   0.00000   0.00000  -0.00048  -0.00049   2.21957
   A150       2.04951   0.00019  -0.00006   0.00082   0.00076   2.05027
   A151       1.94647  -0.00003  -0.00007  -0.00039  -0.00046   1.94601
   A152       1.98201  -0.00009   0.00005   0.00001   0.00004   1.98206
   A153       2.18383  -0.00004  -0.00001  -0.00088  -0.00089   2.18293
   A154       2.11659   0.00014  -0.00005   0.00111   0.00106   2.11765
   A155       1.56928   0.00004   0.00000   0.00019   0.00018   1.56947
   A156       1.96433   0.00018  -0.00002   0.00140   0.00138   1.96571
   A157       1.92439  -0.00005  -0.00012  -0.00060  -0.00072   1.92368
   A158       1.85730  -0.00005   0.00004   0.00017   0.00021   1.85752
   A159       1.93597  -0.00015   0.00015  -0.00087  -0.00072   1.93525
   A160       1.88888  -0.00008   0.00003  -0.00100  -0.00097   1.88791
   A161       1.88947   0.00016  -0.00009   0.00093   0.00084   1.89031
   A162       1.95644  -0.00001  -0.00003   0.00006   0.00003   1.95647
   A163       1.96423  -0.00009   0.00009  -0.00020  -0.00012   1.96411
   A164       1.94369  -0.00028   0.00014  -0.00155  -0.00141   1.94228
   A165       1.85394   0.00005  -0.00009  -0.00065  -0.00074   1.85320
   A166       1.86434   0.00025  -0.00024   0.00219   0.00195   1.86629
   A167       1.87520   0.00013   0.00011   0.00032   0.00044   1.87563
   A168       1.93227   0.00003  -0.00001   0.00007   0.00006   1.93233
   A169       1.96635  -0.00008   0.00002  -0.00011  -0.00008   1.96627
   A170       1.96072  -0.00003   0.00000  -0.00050  -0.00050   1.96022
   A171       1.85385   0.00001   0.00003  -0.00008  -0.00005   1.85380
   A172       1.86237   0.00002   0.00000   0.00057   0.00057   1.86293
   A173       1.88207   0.00006  -0.00004   0.00011   0.00007   1.88214
   A174       1.91617   0.00000   0.00000   0.00013   0.00012   1.91630
   A175       2.23775   0.00000   0.00001  -0.00069  -0.00068   2.23708
   A176       2.12925   0.00000  -0.00001   0.00055   0.00054   2.12979
   A177       1.57966   0.00000   0.00000  -0.00001  -0.00001   1.57965
    D1        1.09964  -0.00001   0.00016   0.00212   0.00228   1.10192
    D2       -3.03154  -0.00002   0.00019   0.00185   0.00205  -3.02949
    D3       -0.97964  -0.00001   0.00019   0.00216   0.00235  -0.97729
    D4       -3.09787  -0.00001   0.00016   0.00206   0.00222  -3.09565
    D5       -0.94587  -0.00002   0.00019   0.00180   0.00199  -0.94387
    D6        1.10604  -0.00001   0.00019   0.00211   0.00229   1.10833
    D7       -0.99250  -0.00001   0.00015   0.00193   0.00208  -0.99042
    D8        1.15950  -0.00002   0.00019   0.00166   0.00185   1.16136
    D9       -3.07178  -0.00001   0.00018   0.00197   0.00215  -3.06962
   D10        1.00069   0.00001   0.00010   0.00612   0.00623   1.00691
   D11        3.10639   0.00000   0.00012   0.00615   0.00627   3.11266
   D12       -1.09056   0.00001   0.00012   0.00613   0.00625  -1.08432
   D13       -1.15064   0.00001   0.00008   0.00642   0.00650  -1.14414
   D14        0.95506   0.00000   0.00009   0.00645   0.00654   0.96161
   D15        3.04130   0.00001   0.00009   0.00643   0.00652   3.04782
   D16        3.07972   0.00001   0.00009   0.00618   0.00627   3.08599
   D17       -1.09776   0.00000   0.00010   0.00621   0.00631  -1.09145
   D18        0.98847   0.00000   0.00010   0.00619   0.00629   0.99476
   D19        2.05383   0.00005  -0.00004  -0.00100  -0.00104   2.05279
   D20       -1.08616  -0.00003   0.00015  -0.00488  -0.00473  -1.09089
   D21       -2.06304   0.00002  -0.00001  -0.00134  -0.00136  -2.06440
   D22        1.08015  -0.00005   0.00018  -0.00523  -0.00505   1.07510
   D23       -0.00403   0.00003  -0.00003  -0.00126  -0.00129  -0.00532
   D24        3.13916  -0.00004   0.00016  -0.00515  -0.00498   3.13418
   D25       -3.13733   0.00000   0.00002  -0.00112  -0.00110  -3.13843
   D26        0.00279   0.00007  -0.00015   0.00246   0.00231   0.00510
   D27        3.13856  -0.00002   0.00001   0.00032   0.00032   3.13889
   D28       -0.00164  -0.00009   0.00017  -0.00305  -0.00288  -0.00452
   D29        3.12968   0.00001   0.00002   0.00078   0.00080   3.13048
   D30       -0.00293  -0.00001   0.00004  -0.00034  -0.00030  -0.00323
   D31        2.00076   0.00005  -0.00103  -0.00709  -0.00812   1.99264
   D32       -2.11737  -0.00014  -0.00108  -0.00729  -0.00837  -2.12574
   D33       -0.10669   0.00000  -0.00102  -0.00609  -0.00711  -0.11381
   D34       -1.15107   0.00007  -0.00105  -0.00580  -0.00685  -1.15792
   D35        1.01398  -0.00011  -0.00110  -0.00601  -0.00711   1.00688
   D36        3.02466   0.00003  -0.00105  -0.00481  -0.00585   3.01881
   D37        0.00159  -0.00005   0.00009  -0.00197  -0.00189  -0.00029
   D38       -3.13711   0.00008  -0.00003   0.00172   0.00168  -3.13543
   D39       -3.12995  -0.00008   0.00011  -0.00324  -0.00313  -3.13307
   D40        0.01453   0.00005  -0.00001   0.00045   0.00044   0.01498
   D41       -1.22952  -0.00005  -0.00077   0.00804   0.00726  -1.22226
   D42        1.29086  -0.00005  -0.00017  -0.00641  -0.00658   1.28428
   D43        2.89083   0.00007  -0.00079   0.00796   0.00717   2.89800
   D44       -0.87196   0.00007  -0.00019  -0.00649  -0.00668  -0.87865
   D45        0.90171  -0.00006  -0.00080   0.00716   0.00635   0.90806
   D46       -2.86109  -0.00006  -0.00020  -0.00730  -0.00749  -2.86859
   D47       -1.15856  -0.00007   0.00029  -0.01320  -0.01291  -1.17147
   D48        3.05707  -0.00009   0.00026  -0.01253  -0.01226   3.04481
   D49        0.94747  -0.00009   0.00029  -0.01327  -0.01298   0.93449
   D50        2.56397   0.00007  -0.00025   0.00036   0.00011   2.56409
   D51        0.49642   0.00005  -0.00027   0.00104   0.00076   0.49718
   D52       -1.61318   0.00005  -0.00025   0.00029   0.00005  -1.61314
   D53       -2.77894  -0.00011  -0.00084   0.01083   0.00998  -2.76895
   D54        0.39888   0.00004  -0.00037   0.01253   0.01215   0.41103
   D55       -0.26518  -0.00017  -0.00021  -0.00392  -0.00412  -0.26930
   D56        2.91264  -0.00002   0.00026  -0.00221  -0.00195   2.91069
   D57        2.83475  -0.00017  -0.00091   0.00354   0.00263   2.83737
   D58        0.37462  -0.00008  -0.00149   0.00498   0.00350   0.37812
   D59       -0.27114  -0.00003  -0.00045   0.00521   0.00476  -0.26638
   D60       -2.73127   0.00007  -0.00102   0.00665   0.00563  -2.72564
   D61       -1.41109   0.00010   0.00004   0.00484   0.00488  -1.40620
   D62        2.73386  -0.00005   0.00020   0.00347   0.00367   2.73753
   D63        0.67440   0.00003   0.00013   0.00435   0.00448   0.67888
   D64        1.07888   0.00002   0.00065   0.00317   0.00382   1.08270
   D65       -1.05936  -0.00013   0.00080   0.00180   0.00260  -1.05676
   D66       -3.11882  -0.00004   0.00073   0.00268   0.00341  -3.11540
   D67       -0.59940   0.00015   0.00012  -0.00611  -0.00598  -0.60539
   D68        2.55393   0.00023   0.00004  -0.00479  -0.00475   2.54918
   D69        1.51907  -0.00004   0.00011  -0.00504  -0.00492   1.51415
   D70       -1.61078   0.00004   0.00002  -0.00372  -0.00369  -1.61447
   D71       -2.65921   0.00007  -0.00003  -0.00672  -0.00675  -2.66596
   D72        0.49412   0.00016  -0.00012  -0.00540  -0.00551   0.48860
   D73        1.15735  -0.00015  -0.00001   0.00562   0.00561   1.16297
   D74       -2.95410  -0.00025   0.00008   0.00506   0.00514  -2.94896
   D75       -0.90879  -0.00012  -0.00006   0.00594   0.00588  -0.90291
   D76       -0.97228   0.00019   0.00003   0.00360   0.00363  -0.96865
   D77        1.19945   0.00009   0.00012   0.00303   0.00316   1.20260
   D78       -3.03843   0.00022  -0.00002   0.00392   0.00390  -3.03453
   D79       -3.08477   0.00000   0.00016   0.00554   0.00569  -3.07908
   D80       -0.91304  -0.00010   0.00025   0.00497   0.00522  -0.90782
   D81        1.13227   0.00003   0.00010   0.00586   0.00596   1.13824
   D82        3.11600  -0.00004   0.00026  -0.00227  -0.00200   3.11400
   D83        0.05333   0.00014  -0.00021   0.00159   0.00138   0.05471
   D84       -0.01408   0.00004   0.00018  -0.00099  -0.00081  -0.01489
   D85       -3.07675   0.00022  -0.00029   0.00286   0.00257  -3.07417
   D86        2.50600   0.00013  -0.00033   0.00051   0.00018   2.50618
   D87       -1.60719   0.00050  -0.00027   0.00180   0.00153  -1.60566
   D88        0.46114   0.00005  -0.00034   0.00057   0.00024   0.46138
   D89       -0.71084  -0.00003   0.00012  -0.00316  -0.00303  -0.71388
   D90        1.45915   0.00034   0.00018  -0.00187  -0.00169   1.45746
   D91       -2.75570  -0.00012   0.00011  -0.00309  -0.00298  -2.75868
   D92        1.03942   0.00012  -0.00021   0.00564   0.00543   1.04485
   D93       -1.10955   0.00011  -0.00020   0.00552   0.00532  -1.10423
   D94       -3.08533   0.00011  -0.00022   0.00544   0.00522  -3.08010
   D95       -1.10972  -0.00008  -0.00029   0.00398   0.00369  -1.10603
   D96        3.02450  -0.00009  -0.00029   0.00387   0.00358   3.02808
   D97        1.04872  -0.00009  -0.00030   0.00379   0.00349   1.05221
   D98        3.07870   0.00000  -0.00020   0.00515   0.00495   3.08365
   D99        0.92973  -0.00001  -0.00020   0.00503   0.00484   0.93457
   D100      -1.04604   0.00000  -0.00021   0.00495   0.00474  -1.04130
   D101       1.22237  -0.00087  -0.00047  -0.00621  -0.00668   1.21570
   D102      -0.89023  -0.00047  -0.00052  -0.00614  -0.00666  -0.89689
   D103      -2.90917  -0.00072  -0.00057  -0.00636  -0.00693  -2.91610
   D104      -2.91872  -0.00035  -0.00037  -0.00460  -0.00497  -2.92369
   D105       1.25186   0.00006  -0.00043  -0.00452  -0.00495   1.24691
   D106      -0.76707  -0.00019  -0.00047  -0.00475  -0.00522  -0.77229
   D107      -0.83201  -0.00033  -0.00043  -0.00518  -0.00561  -0.83762
   D108      -2.94462   0.00008  -0.00048  -0.00511  -0.00559  -2.95021
   D109       1.31964  -0.00017  -0.00053  -0.00533  -0.00586   1.31377
   D110      -1.65897  -0.00001   0.00001   0.00480   0.00481  -1.65416
   D111       1.49052   0.00000  -0.00001   0.00491   0.00490   1.49542
   D112       0.47671   0.00004   0.00001   0.00521   0.00522   0.48193
   D113      -2.65698   0.00005  -0.00001   0.00532   0.00531  -2.65167
   D114       2.47775   0.00004   0.00001   0.00544   0.00545   2.48321
   D115      -0.65594   0.00005  -0.00001   0.00555   0.00554  -0.65040
   D116       3.14022   0.00001  -0.00002   0.00005   0.00003   3.14025
   D117      -0.01527  -0.00001   0.00001  -0.00055  -0.00054  -0.01581
   D118      -0.00918   0.00000   0.00001  -0.00006  -0.00005  -0.00924
   D119       3.11851  -0.00002   0.00003  -0.00066  -0.00063   3.11788
   D120      -3.13948  -0.00001   0.00001  -0.00006  -0.00004  -3.13952
   D121       0.00879  -0.00001   0.00000  -0.00021  -0.00020   0.00858
   D122       0.00998   0.00000  -0.00001   0.00005   0.00004   0.01002
   D123      -3.12494   0.00000  -0.00002  -0.00010  -0.00012  -3.12506
   D124       0.00147   0.00000   0.00000   0.00001   0.00001   0.00147
   D125       3.13878  -0.00001   0.00002  -0.00017  -0.00015   3.13863
   D126      -3.12630   0.00001  -0.00002   0.00060   0.00058  -3.12572
   D127       0.01101   0.00001  -0.00001   0.00043   0.00042   0.01144
   D128       0.00550   0.00000  -0.00001   0.00006   0.00005   0.00556
   D129      -3.14130  -0.00001   0.00002  -0.00013  -0.00012  -3.14141
   D130      -3.13180   0.00001  -0.00002   0.00023   0.00021  -3.13159
   D131       0.00459   0.00000   0.00000   0.00004   0.00004   0.00463
   D132      -0.00471   0.00000   0.00000  -0.00007  -0.00007  -0.00477
   D133       3.13448   0.00000   0.00001  -0.00016  -0.00015   3.13433
   D134      -3.14109   0.00001  -0.00002   0.00012   0.00010  -3.14099
   D135      -0.00191   0.00000  -0.00001   0.00003   0.00002  -0.00189
   D136      -0.00306   0.00000   0.00000   0.00001   0.00002  -0.00304
   D137       3.13189   0.00000   0.00002   0.00016   0.00018   3.13207
   D138       3.14094   0.00000  -0.00001   0.00011   0.00010   3.14104
   D139      -0.00730   0.00001   0.00000   0.00025   0.00026  -0.00704
   D140      -1.80316  -0.00021  -0.00049  -0.00884  -0.00933  -1.81248
   D141       2.48582  -0.00040  -0.00046  -0.00899  -0.00945   2.47637
   D142       0.28252  -0.00037  -0.00045  -0.00907  -0.00952   0.27300
   D143       0.32775  -0.00017  -0.00044  -0.00801  -0.00845   0.31930
   D144      -1.66647  -0.00036  -0.00040  -0.00816  -0.00857  -1.67503
   D145       2.41342  -0.00033  -0.00040  -0.00824  -0.00864   2.40478
   D146       2.34268   0.00010  -0.00040  -0.00777  -0.00817   2.33452
   D147       0.34847  -0.00009  -0.00036  -0.00792  -0.00829   0.34018
   D148      -1.85483  -0.00005  -0.00036  -0.00800  -0.00836  -1.86319
   D149       1.75147  -0.00074  -0.00025  -0.00669  -0.00694   1.74453
   D150      -2.40581   0.00071  -0.00019  -0.00496  -0.00515  -2.41096
   D151      -0.35580  -0.00014  -0.00021  -0.00638  -0.00659  -0.36239
   D152      -1.07083  -0.00019   0.00086   0.01084   0.01170  -1.05912
   D153       3.05956   0.00011   0.00061   0.01286   0.01347   3.07303
   D154       1.05372   0.00007   0.00073   0.01315   0.01388   1.06760
   D155      -3.11264  -0.00029   0.00087   0.01103   0.01190  -3.10074
   D156       1.01774   0.00001   0.00062   0.01305   0.01367   1.03141
   D157      -0.98810  -0.00003   0.00074   0.01334   0.01408  -0.97402
   D158       1.13765  -0.00011   0.00084   0.01151   0.01235   1.15000
   D159      -1.01515   0.00018   0.00059   0.01353   0.01412  -1.00103
   D160      -3.02099   0.00014   0.00071   0.01382   0.01453  -3.00646
   D161       2.98100   0.00040  -0.00006  -0.00245  -0.00251   2.97849
   D162      -1.16160   0.00038   0.00003  -0.00285  -0.00282  -1.16442
   D163       0.84301   0.00039  -0.00002  -0.00241  -0.00243   0.84058
   D164      -1.18590  -0.00032   0.00010  -0.00148  -0.00138  -1.18728
   D165       0.95468  -0.00034   0.00020  -0.00188  -0.00169   0.95300
   D166       2.95929  -0.00033   0.00015  -0.00144  -0.00129   2.95800
   D167       0.86097  -0.00008   0.00009  -0.00249  -0.00240   0.85857
   D168       3.00156  -0.00010   0.00018  -0.00289  -0.00271   2.99885
   D169      -1.27702  -0.00009   0.00014  -0.00245  -0.00232  -1.27934
   D170       1.08066  -0.00078  -0.00093  -0.00756  -0.00849   1.07218
   D171      -1.36297  -0.00017  -0.00098  -0.00719  -0.00818  -1.37115
   D172      -1.06793  -0.00059  -0.00111  -0.00781  -0.00892  -1.07684
   D173       2.77163   0.00002  -0.00116  -0.00745  -0.00861   2.76302
   D174       3.12684  -0.00065  -0.00108  -0.00863  -0.00971   3.11713
   D175       0.68321  -0.00004  -0.00113  -0.00827  -0.00940   0.67381
   D176       1.65390  -0.00003  -0.00006   0.00343   0.00337   1.65728
   D177      -1.48990  -0.00003  -0.00008   0.00358   0.00350  -1.48640
   D178      -0.48474   0.00004  -0.00014   0.00449   0.00435  -0.48039
   D179       2.65464   0.00005  -0.00016   0.00464   0.00448   2.65911
   D180      -2.49971   0.00001  -0.00015   0.00325   0.00310  -2.49661
   D181       0.63967   0.00001  -0.00017   0.00340   0.00323   0.64290
   D182       3.13696   0.00000   0.00000  -0.00006  -0.00006   3.13690
   D183      -0.01122  -0.00002   0.00005  -0.00085  -0.00080  -0.01202
   D184      -0.00243   0.00000   0.00002  -0.00021  -0.00019  -0.00262
   D185       3.13258  -0.00003   0.00007  -0.00100  -0.00093   3.13165
   D186      -3.13655   0.00000   0.00000   0.00009   0.00009  -3.13647
   D187       0.00516   0.00000   0.00001   0.00020   0.00021   0.00537
   D188       0.00283   0.00000  -0.00002   0.00024   0.00021   0.00304
   D189      -3.13864   0.00001  -0.00001   0.00035   0.00034  -3.13830
   D190       0.00014   0.00000  -0.00001   0.00003   0.00002   0.00016
   D191       3.14091  -0.00001   0.00001  -0.00015  -0.00014   3.14076
   D192      -3.13483   0.00002  -0.00006   0.00082   0.00076  -3.13406
   D193       0.00594   0.00002  -0.00005   0.00064   0.00060   0.00653
   D194       0.00176   0.00000  -0.00001   0.00012   0.00012   0.00188
   D195      -3.14058   0.00000   0.00001  -0.00003  -0.00002  -3.14060
   D196      -3.13901   0.00001  -0.00002   0.00031   0.00029  -3.13872
   D197       0.00184   0.00001  -0.00001   0.00016   0.00015   0.00199
   D198      -0.00136   0.00000   0.00001  -0.00010  -0.00009  -0.00145
   D199       3.14032  -0.00001   0.00001  -0.00016  -0.00015   3.14017
   D200       3.14098   0.00000  -0.00001   0.00005   0.00004   3.14103
   D201      -0.00053   0.00000   0.00000  -0.00001  -0.00001  -0.00054
   D202      -0.00094   0.00000   0.00001  -0.00008  -0.00007  -0.00101
   D203       3.14053   0.00000   0.00000  -0.00020  -0.00020   3.14033
   D204       3.14057   0.00000   0.00000  -0.00002  -0.00002   3.14055
   D205      -0.00115   0.00000  -0.00001  -0.00014  -0.00014  -0.00129
   D206       0.57927  -0.00027   0.00049  -0.00186  -0.00136   0.57790
   D207      -2.61057   0.00092   0.00022   0.00277   0.00299  -2.60758
   D208       3.00429  -0.00080   0.00058  -0.00158  -0.00100   3.00329
   D209      -0.18555   0.00038   0.00031   0.00304   0.00335  -0.18219
   D210       3.07114  -0.00117   0.00057   0.01274   0.01331   3.08445
   D211      -0.11458  -0.00008   0.00032   0.01687   0.01719  -0.09739
   D212      -1.15112   0.00050   0.00040   0.00204   0.00244  -1.14869
   D213       3.03456   0.00028   0.00049   0.00040   0.00089   3.03544
   D214       1.01049  -0.00016   0.00045   0.00019   0.00064   1.01113
   D215      -2.03159  -0.00017  -0.00157  -0.01241  -0.01398  -2.04556
   D216       1.09337  -0.00044  -0.00121  -0.00939  -0.01060   1.08277
   D217      -0.07614  -0.00011  -0.00162  -0.00933  -0.01095  -0.08709
   D218       3.04882  -0.00039  -0.00126  -0.00631  -0.00757   3.04124
   D219       2.13666   0.00037  -0.00169  -0.01133  -0.01302   2.12364
   D220      -1.02158   0.00009  -0.00133  -0.00831  -0.00964  -1.03121
   D221      -3.14142  -0.00037   0.00055   0.00088   0.00143  -3.13999
   D222      -0.01503  -0.00009   0.00067   0.00742   0.00809  -0.00694
   D223       0.01553  -0.00011   0.00021  -0.00193  -0.00171   0.01382
   D224      -3.14127   0.00017   0.00034   0.00461   0.00495  -3.13632
   D225       3.13367   0.00040  -0.00066   0.00249   0.00181   3.13548
   D226      -0.02130   0.00018  -0.00038   0.00487   0.00449  -0.01681
   D227       0.00221  -0.00005   0.00015  -0.00346  -0.00331  -0.00110
   D228      -3.12574  -0.00031   0.00004  -0.00932  -0.00928  -3.13502
   D229      -0.01929   0.00020  -0.00045   0.00730   0.00685  -0.01244
   D230      -3.11949   0.00001   0.00004   0.00047   0.00051  -3.11898
   D231       0.02388  -0.00023   0.00049  -0.00717  -0.00668   0.01719
   D232       3.12586  -0.00005   0.00002  -0.00069  -0.00066   3.12520
   D233      -1.02172   0.00003   0.00104   0.01431   0.01535  -1.00637
   D234       1.06688   0.00002   0.00096   0.01337   0.01433   1.08121
   D235      -3.10936  -0.00008   0.00127   0.01254   0.01381  -3.09555
   D236       3.09612   0.00008   0.00110   0.01472   0.01582   3.11194
   D237      -1.09846   0.00006   0.00102   0.01378   0.01480  -1.08367
   D238       1.00849  -0.00004   0.00133   0.01295   0.01428   1.02276
   D239       1.02578   0.00002   0.00110   0.01470   0.01581   1.04159
   D240       3.11438   0.00001   0.00102   0.01377   0.01479   3.12917
   D241      -1.06185  -0.00009   0.00133   0.01294   0.01427  -1.04759
   D242       2.97306   0.00002  -0.00027   0.00942   0.00915   2.98221
   D243      -1.23702   0.00000  -0.00023   0.00930   0.00907  -1.22795
   D244       0.89289  -0.00001  -0.00026   0.00898   0.00872   0.90161
   D245      -1.12219   0.00011  -0.00027   0.01016   0.00989  -1.11230
   D246       0.95092   0.00009  -0.00023   0.01004   0.00981   0.96072
   D247       3.08083   0.00008  -0.00026   0.00973   0.00946   3.09029
   D248       0.94779   0.00002  -0.00020   0.00901   0.00881   0.95660
   D249       3.02090   0.00000  -0.00016   0.00889   0.00872   3.02962
   D250      -1.13238  -0.00001  -0.00019   0.00857   0.00838  -1.12400
   D251      -0.00002   0.00008  -0.00014   0.00272   0.00258   0.00256
   D252       3.13890  -0.00005  -0.00003  -0.00070  -0.00073   3.13817
         Item               Value     Threshold  Converged?
 Maximum Force            0.002311     0.000450     NO 
 RMS     Force            0.000299     0.000300     YES
 Maximum Displacement     0.087710     0.001800     NO 
 RMS     Displacement     0.022193     0.001200     NO 
 Predicted change in Energy=-4.476301D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.780562   -2.000473    1.017815
      2          6           0       -9.340979   -1.044291   -0.095200
      3          6           0      -10.156812    0.252029   -0.087052
      4          6           0       -7.880349   -0.742303    0.025517
      5          7           0       -6.948304   -1.024662   -0.852556
      6          6           0       -5.660545   -0.604588   -0.427424
      7          6           0       -4.503834   -0.886514   -1.344839
      8          7           0       -3.872794    0.337846   -1.900253
      9          6           0       -4.724087    1.055977   -2.889332
     10          6           0       -3.055609    1.174469   -1.094329
     11          8           0       -2.843614    2.347050   -1.384124
     12          7           0       -2.441446    0.589031    0.053297
     13          6           0       -1.304514    1.338196    0.637644
     14          6           0       -0.011705    1.066778   -0.162507
     15          8           0        0.240699   -0.018925   -0.680832
     16          7           0        0.874055    2.128839   -0.253827
     17          6           0        2.176845    2.002070   -0.964642
     18          6           0        2.502510    3.324320   -1.693887
     19          6           0        2.610904    4.521108   -0.790012
     20          6           0        1.496612    5.351710   -0.589909
     21          6           0        1.592394    6.463880    0.250360
     22          6           0        2.797862    6.757528    0.895330
     23          6           0        3.911580    5.936865    0.691245
     24          6           0        3.821992    4.823684   -0.148777
     25          6           0        3.289236    1.584008    0.020765
     26          6           0        3.097370    0.140335    0.495308
     27          8           0        2.570796    0.184078    1.839604
     28          6           0        4.413372   -0.676825    0.658595
     29          6           0        5.172752   -0.792837   -0.673090
     30          6           0        6.543472   -1.380106   -0.480326
     31          6           0        6.747019   -2.757454   -0.655352
     32          6           0        8.020946   -3.303164   -0.482055
     33          6           0        9.097932   -2.480940   -0.133664
     34          6           0        8.896080   -1.108852    0.043433
     35          6           0        7.623495   -0.556597   -0.128023
     36          7           0        4.065706   -2.022941    1.216051
     37          6           0        3.228247   -2.852819    0.466724
     38          8           0        3.137094   -2.954397   -0.746491
     39          8           0        2.486677   -3.653211    1.327292
     40          6           0        1.502959   -4.530476    0.691524
     41          6           0        0.439492   -3.729596    0.054582
     42          6           0       -0.902655   -3.668851    0.312060
     43          7           0       -1.634879   -2.781752   -0.504593
     44          6           0       -0.853908   -2.170534   -1.377034
     45         16           0        0.840259   -2.626256   -1.244600
     46          6           0       -1.136861    0.933340    2.131909
     47          6           0       -0.700798   -0.522745    2.301661
     48          6           0       -0.158600    1.880544    2.829876
     49          6           0       -5.621604    0.009272    0.791959
     50         16           0       -7.220424    0.085579    1.462943
     51          1           0      -10.820018   -2.317235    0.872299
     52          1           0       -9.161652   -2.906633    1.035587
     53          1           0       -9.718423   -1.540850    2.011283
     54          1           0       -9.503829   -1.557661   -1.086062
     55          1           0      -10.091402    0.780226    0.871578
     56          1           0       -9.817631    0.944352   -0.867716
     57          1           0      -11.218020    0.046173   -0.270385
     58          1           0       -3.738075   -1.509838   -0.815173
     59          1           0       -4.843367   -1.514334   -2.209057
     60          1           0       -4.830153    0.424922   -3.786793
     61          1           0       -4.241800    2.006341   -3.188580
     62          1           0       -5.727636    1.288050   -2.497355
     63          1           0       -2.322414   -0.434061    0.075033
     64          1           0       -1.561681    2.437435    0.582379
     65          1           0        0.697621    3.012177    0.221936
     66          1           0        2.060040    1.193203   -1.744184
     67          1           0        1.722685    3.503113   -2.468210
     68          1           0        3.442457    3.193759   -2.270111
     69          1           0        0.556893    5.139657   -1.099805
     70          1           0        0.724868    7.106000    0.399252
     71          1           0        2.870502    7.623948    1.549437
     72          1           0        4.853929    6.166791    1.186863
     73          1           0        4.696617    4.196873   -0.307775
     74          1           0        3.299208    2.253914    0.908158
     75          1           0        4.278635    1.718123   -0.457803
     76          1           0        2.375702   -0.407974   -0.164037
     77          1           0        1.585384    0.036220    1.825758
     78          1           0        5.064294   -0.183629    1.430786
     79          1           0        4.585232   -1.412481   -1.394265
     80          1           0        5.244973    0.208789   -1.146838
     81          1           0        5.905242   -3.398686   -0.920112
     82          1           0        8.175087   -4.372384   -0.617902
     83          1           0       10.088915   -2.908404   -0.000287
     84          1           0        9.732171   -0.467418    0.315775
     85          1           0        7.475238    0.510772    0.012760
     86          1           0        3.888985   -2.007134    2.230828
     87          1           0        1.153038   -5.117351    1.566402
     88          1           0        2.035243   -5.185550   -0.028109
     89          1           0       -1.452268   -4.228465    1.061364
     90          1           0       -1.184552   -1.428015   -2.098033
     91          1           0       -2.145887    1.054436    2.608774
     92          1           0       -1.406296   -1.222889    1.832945
     93          1           0        0.283205   -0.725639    1.844741
     94          1           0       -0.634633   -0.797498    3.361137
     95          1           0       -0.156503    1.706898    3.913848
     96          1           0        0.880037    1.740153    2.494138
     97          1           0       -0.420321    2.933116    2.679623
     98          1           0       -4.764498    0.411336    1.308875
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0822752      0.0286666      0.0231847
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3657.9522482480 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258304114848     A.U. after   16 cycles
             Convg  =    0.9748D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000032614   -0.000004061    0.000036928
      2        6           0.000001206   -0.000011804    0.000022873
      3        6           0.000000803    0.000023787    0.000029527
      4        6           0.000053300    0.000027146   -0.000060922
      5        7           0.000127358    0.000013883    0.000003241
      6        6          -0.000108624   -0.000152421   -0.000060443
      7        6          -0.000082723    0.000095665    0.000106576
      8        7          -0.000015540   -0.000109914    0.000278251
      9        6          -0.000094662    0.000065846   -0.000145744
     10        6           0.000093817   -0.000479427    0.000230897
     11        8          -0.000201427    0.000175927    0.000365769
     12        7          -0.000245099   -0.000554042   -0.000592853
     13        6           0.000097787    0.000322597   -0.000090711
     14        6           0.000203849    0.000216732    0.000184545
     15        8           0.000264184   -0.000043370   -0.000017347
     16        7          -0.000035115   -0.000105530   -0.000104606
     17        6          -0.000024937   -0.000031706    0.000063398
     18        6           0.000050741   -0.000024907    0.000058486
     19        6           0.000025633    0.000012504    0.000029045
     20        6           0.000033669    0.000020310    0.000029240
     21        6           0.000037193   -0.000010261   -0.000001855
     22        6           0.000013882   -0.000027289    0.000005883
     23        6          -0.000036461   -0.000006693    0.000004844
     24        6          -0.000043359   -0.000005590   -0.000036780
     25        6           0.000100565   -0.000105539   -0.000221496
     26        6           0.000103092   -0.000087210    0.000112165
     27        8          -0.000169243    0.000095238    0.000244437
     28        6           0.000328199   -0.000028655    0.000257662
     29        6          -0.000145468    0.000025159   -0.000022330
     30        6           0.000025107   -0.000154105   -0.000091511
     31        6           0.000022551    0.000130448    0.000011072
     32        6          -0.000052036    0.000013811    0.000020732
     33        6          -0.000013981    0.000049611    0.000028546
     34        6           0.000052337   -0.000032933   -0.000034665
     35        6          -0.000053095   -0.000033733    0.000017437
     36        7           0.000084902    0.000167156   -0.000029776
     37        6          -0.000089429    0.000001627   -0.000072281
     38        8           0.000067345   -0.000039499    0.000144687
     39        8          -0.000061688   -0.000337978   -0.000107834
     40        6           0.000222819    0.000103388    0.000416748
     41        6          -0.000408376    0.000217183   -0.000890513
     42        6           0.000488433    0.000051063    0.000083324
     43        7          -0.000239250   -0.000262689    0.000107507
     44        6          -0.000208141    0.000352725   -0.000114807
     45       16           0.000168823   -0.000112907    0.000658423
     46        6          -0.000037136    0.000349567   -0.000003630
     47        6           0.000083943    0.000020223   -0.000008114
     48        6          -0.000057152   -0.000123063   -0.000050246
     49        6          -0.000162075    0.000034619   -0.000042865
     50       16           0.000008459   -0.000001445    0.000058455
     51        1           0.000041102   -0.000006674    0.000002337
     52        1           0.000007992    0.000020637   -0.000023199
     53        1          -0.000014206   -0.000005248   -0.000011985
     54        1          -0.000037731    0.000020047   -0.000001080
     55        1           0.000011540   -0.000005615   -0.000002903
     56        1          -0.000001691   -0.000019666   -0.000031618
     57        1           0.000025800    0.000010432   -0.000006993
     58        1           0.000027170   -0.000071910   -0.000090447
     59        1          -0.000067584    0.000089398    0.000033876
     60        1           0.000029673    0.000010075    0.000006267
     61        1           0.000054850   -0.000005928   -0.000072181
     62        1           0.000049617    0.000020979   -0.000011056
     63        1           0.000033763    0.000006207    0.000094217
     64        1           0.000025795    0.000195032    0.000072944
     65        1          -0.000067075    0.000070022   -0.000013056
     66        1          -0.000088124    0.000058833   -0.000077673
     67        1          -0.000015147   -0.000017318   -0.000044565
     68        1          -0.000003536    0.000003674    0.000030579
     69        1          -0.000006574   -0.000010669   -0.000012811
     70        1          -0.000000362   -0.000001618   -0.000001773
     71        1           0.000006817   -0.000012403   -0.000003336
     72        1           0.000000643   -0.000002903   -0.000001277
     73        1           0.000007431    0.000001488    0.000009937
     74        1          -0.000015436    0.000012877   -0.000097331
     75        1           0.000050719    0.000147566    0.000014069
     76        1           0.000023896    0.000023766   -0.000002832
     77        1          -0.000001944   -0.000043012   -0.000113246
     78        1          -0.000040247   -0.000021418    0.000057014
     79        1           0.000037148    0.000109712   -0.000030354
     80        1          -0.000069238    0.000077827    0.000025228
     81        1          -0.000040029   -0.000035757    0.000020784
     82        1           0.000005582   -0.000000586   -0.000004056
     83        1          -0.000019245   -0.000009663   -0.000002266
     84        1          -0.000009407   -0.000001375    0.000007503
     85        1           0.000019912    0.000022239    0.000006751
     86        1          -0.000072250   -0.000002727   -0.000019491
     87        1          -0.000187269   -0.000115110   -0.000483945
     88        1           0.000032124    0.000015151    0.000034498
     89        1          -0.000067785    0.000006283   -0.000017908
     90        1          -0.000000588   -0.000003277    0.000026048
     91        1           0.000196093    0.000117604   -0.000019734
     92        1          -0.000009390   -0.000040937   -0.000036646
     93        1           0.000101900   -0.000078465   -0.000007360
     94        1          -0.000036030   -0.000070034   -0.000093992
     95        1          -0.000026004   -0.000079126    0.000094943
     96        1          -0.000105606    0.000009576   -0.000037473
     97        1           0.000039369   -0.000050897    0.000028808
     98        1           0.000031192   -0.000036537   -0.000002588
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000890513 RMS     0.000137663

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001081146 RMS     0.000173339
 Search for a local minimum.
 Step number  59 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   56   57   58   59
 DE= -3.87D-05 DEPred=-4.48D-05 R= 8.64D-01
 SS=  1.41D+00  RLast= 1.03D-01 DXNew= 1.2520D+00 3.0911D-01
 Trust test= 8.64D-01 RLast= 1.03D-01 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00116   0.00172   0.00206   0.00246   0.00291
     Eigenvalues ---    0.00358   0.00389   0.00527   0.00615   0.00627
     Eigenvalues ---    0.00725   0.00791   0.00873   0.00933   0.00965
     Eigenvalues ---    0.00983   0.01096   0.01149   0.01187   0.01286
     Eigenvalues ---    0.01312   0.01375   0.01437   0.01455   0.01483
     Eigenvalues ---    0.01507   0.01603   0.01662   0.01750   0.01761
     Eigenvalues ---    0.01828   0.01927   0.02087   0.02097   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02227   0.02257   0.02268
     Eigenvalues ---    0.02290   0.02328   0.02372   0.02404   0.02408
     Eigenvalues ---    0.02414   0.02443   0.02462   0.02482   0.02485
     Eigenvalues ---    0.02523   0.02527   0.02529   0.02619   0.02692
     Eigenvalues ---    0.02700   0.02910   0.03144   0.03344   0.03809
     Eigenvalues ---    0.04012   0.04106   0.04173   0.04193   0.04309
     Eigenvalues ---    0.04552   0.04658   0.04891   0.04951   0.04990
     Eigenvalues ---    0.05102   0.05190   0.05217   0.05340   0.05398
     Eigenvalues ---    0.05437   0.05458   0.05492   0.05527   0.05587
     Eigenvalues ---    0.05610   0.05719   0.05735   0.05843   0.05855
     Eigenvalues ---    0.05861   0.05977   0.05994   0.06112   0.06257
     Eigenvalues ---    0.06486   0.06720   0.06898   0.06969   0.07097
     Eigenvalues ---    0.07526   0.07898   0.08361   0.08573   0.08762
     Eigenvalues ---    0.09264   0.09633   0.09866   0.09954   0.10333
     Eigenvalues ---    0.12095   0.12898   0.13123   0.13240   0.13434
     Eigenvalues ---    0.13786   0.13960   0.14434   0.14953   0.15625
     Eigenvalues ---    0.15680   0.15745   0.15953   0.15969   0.15981
     Eigenvalues ---    0.15985   0.15993   0.15996   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16004   0.16007   0.16011
     Eigenvalues ---    0.16024   0.16040   0.16085   0.16098   0.16105
     Eigenvalues ---    0.16171   0.16268   0.16334   0.16878   0.17128
     Eigenvalues ---    0.17276   0.17711   0.17985   0.18141   0.18677
     Eigenvalues ---    0.19005   0.19608   0.20514   0.20768   0.21677
     Eigenvalues ---    0.21830   0.21912   0.22000   0.22000   0.22003
     Eigenvalues ---    0.22030   0.22286   0.22500   0.23045   0.23187
     Eigenvalues ---    0.23441   0.23496   0.23619   0.23683   0.24088
     Eigenvalues ---    0.24311   0.24686   0.24788   0.24962   0.25035
     Eigenvalues ---    0.25051   0.25179   0.25498   0.25636   0.26606
     Eigenvalues ---    0.27716   0.29039   0.29436   0.29571   0.29839
     Eigenvalues ---    0.29916   0.30062   0.30115   0.30401   0.30447
     Eigenvalues ---    0.30602   0.30676   0.30857   0.31339   0.31427
     Eigenvalues ---    0.31456   0.31501   0.31582   0.31662   0.31738
     Eigenvalues ---    0.31893   0.32008   0.32238   0.32303   0.32387
     Eigenvalues ---    0.32552   0.32615   0.32680   0.32761   0.32827
     Eigenvalues ---    0.32841   0.32954   0.32969   0.33021   0.33068
     Eigenvalues ---    0.33122   0.33184   0.33284   0.33404   0.33566
     Eigenvalues ---    0.33574   0.33676   0.33707   0.33769   0.33926
     Eigenvalues ---    0.33970   0.34025   0.34181   0.34220   0.34276
     Eigenvalues ---    0.34397   0.34492   0.34540   0.34608   0.34660
     Eigenvalues ---    0.34750   0.35380   0.36244   0.36311   0.36364
     Eigenvalues ---    0.36378   0.36627   0.36827   0.36945   0.37096
     Eigenvalues ---    0.37262   0.38497   0.38977   0.39363   0.40177
     Eigenvalues ---    0.40988   0.41916   0.42514   0.42632   0.42908
     Eigenvalues ---    0.43299   0.43514   0.43936   0.44654   0.45163
     Eigenvalues ---    0.45275   0.46944   0.47351   0.47766   0.48354
     Eigenvalues ---    0.48519   0.48656   0.48774   0.49139   0.49806
     Eigenvalues ---    0.50385   0.50873   0.51252   0.51358   0.51557
     Eigenvalues ---    0.55684   0.56479   0.58559   0.59374   0.61874
     Eigenvalues ---    0.64494   0.65184   0.77590   0.78523   0.85020
     Eigenvalues ---    1.26275   1.58865   2.719451000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    59   58   57   56
 RFO step:  Lambda=-1.85188414D-05.
 DIIS coeffs:      0.87028      0.23855     -0.07030     -0.03852
 Iteration  1 RMS(Cart)=  0.01685695 RMS(Int)=  0.00004491
 Iteration  2 RMS(Cart)=  0.00013553 RMS(Int)=  0.00000059
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000059
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89463   0.00001   0.00004   0.00003   0.00007   2.89469
    R2        2.07180   0.00003   0.00000   0.00004   0.00004   2.07184
    R3        2.07396  -0.00001   0.00000  -0.00010  -0.00010   2.07386
    R4        2.07189  -0.00001   0.00004   0.00004   0.00008   2.07197
    R5        2.89449   0.00003  -0.00002   0.00008   0.00006   2.89454
    R6        2.82778   0.00002  -0.00004   0.00014   0.00010   2.82788
    R7        2.13119   0.00002   0.00003   0.00008   0.00010   2.13129
    R8        2.07202   0.00001   0.00004   0.00004   0.00008   2.07211
    R9        2.07336   0.00003  -0.00004   0.00007   0.00004   2.07340
   R10        2.07195   0.00003   0.00000   0.00007   0.00006   2.07201
   R11        2.47795  -0.00001  -0.00006   0.00003  -0.00003   2.47793
   R12        3.37362   0.00003   0.00008  -0.00016  -0.00008   3.37354
   R13        2.68283   0.00012   0.00011   0.00016   0.00027   2.68310
   R14        2.84032  -0.00006   0.00028  -0.00032  -0.00004   2.84028
   R15        2.58087  -0.00004   0.00004  -0.00016  -0.00012   2.58075
   R16        2.80658  -0.00005   0.00010  -0.00017  -0.00007   2.80651
   R17        2.11739  -0.00007   0.00010   0.00001   0.00011   2.11750
   R18        2.11811   0.00008  -0.00003   0.00017   0.00014   2.11825
   R19        2.81480   0.00022  -0.00009   0.00032   0.00023   2.81503
   R20        2.68397  -0.00004  -0.00013  -0.00018  -0.00031   2.68366
   R21        2.08292   0.00000  -0.00005  -0.00005  -0.00010   2.08281
   R22        2.09183   0.00005  -0.00002   0.00008   0.00007   2.09190
   R23        2.08266   0.00005   0.00002   0.00015   0.00017   2.08283
   R24        2.31741  -0.00041   0.00015  -0.00030  -0.00015   2.31727
   R25        2.69707  -0.00072   0.00013  -0.00143  -0.00130   2.69577
   R26        2.79994  -0.00097   0.00023  -0.00166  -0.00143   2.79851
   R27        1.94684   0.00004  -0.00023   0.00025   0.00002   1.94686
   R28        2.91855  -0.00016   0.00012  -0.00058  -0.00047   2.91808
   R29        2.94266  -0.00015   0.00010  -0.00001   0.00009   2.94276
   R30        2.13591  -0.00015   0.00012  -0.00049  -0.00036   2.13554
   R31        2.32299  -0.00018   0.00004  -0.00006  -0.00002   2.32298
   R32        2.61908   0.00008   0.00001   0.00035   0.00036   2.61945
   R33        2.81473   0.00016  -0.00007  -0.00002  -0.00010   2.81464
   R34        1.92508  -0.00009  -0.00001  -0.00004  -0.00005   1.92503
   R35        2.91912  -0.00002  -0.00002   0.00012   0.00010   2.91923
   R36        2.91730  -0.00003  -0.00010   0.00029   0.00020   2.91749
   R37        2.13430   0.00009  -0.00016   0.00025   0.00009   2.13439
   R38        2.84154   0.00005  -0.00009   0.00022   0.00013   2.84166
   R39        2.10403   0.00001  -0.00001  -0.00001  -0.00002   2.10401
   R40        2.09800  -0.00001   0.00000   0.00003   0.00003   2.09803
   R41        2.65343   0.00004  -0.00004   0.00009   0.00006   2.65348
   R42        2.65200   0.00004  -0.00001   0.00006   0.00006   2.65206
   R43        2.64031   0.00004   0.00000   0.00003   0.00004   2.64035
   R44        2.05974  -0.00001   0.00000  -0.00002  -0.00002   2.05972
   R45        2.64249   0.00003  -0.00001   0.00003   0.00002   2.64251
   R46        2.05892   0.00000   0.00001   0.00000   0.00001   2.05894
   R47        2.64258   0.00004   0.00000   0.00004   0.00004   2.64262
   R48        2.05609   0.00001   0.00000   0.00003   0.00003   2.05611
   R49        2.64078   0.00003  -0.00003   0.00009   0.00006   2.64084
   R50        2.05844   0.00000   0.00000   0.00001   0.00001   2.05844
   R51        2.05550  -0.00001  -0.00001  -0.00001  -0.00002   2.05548
   R52        2.89455   0.00031  -0.00020   0.00072   0.00051   2.89506
   R53        2.10120  -0.00005  -0.00005  -0.00034  -0.00039   2.10081
   R54        2.09233  -0.00008   0.00008   0.00013   0.00021   2.09254
   R55        2.72954   0.00000   0.00002  -0.00016  -0.00014   2.72940
   R56        2.94353   0.00022  -0.00020   0.00013  -0.00007   2.94347
   R57        2.11800   0.00003  -0.00007  -0.00007  -0.00014   2.11786
   R58        1.88319  -0.00004  -0.00002  -0.00012  -0.00014   1.88304
   R59        2.90520   0.00024   0.00001   0.00068   0.00069   2.90590
   R60        2.83059  -0.00019   0.00016   0.00022   0.00037   2.83096
   R61        2.12392   0.00005  -0.00002   0.00037   0.00036   2.12428
   R62        2.84146   0.00006  -0.00004   0.00007   0.00002   2.84148
   R63        2.11213   0.00012  -0.00008   0.00038   0.00030   2.11243
   R64        2.09828  -0.00007   0.00004   0.00001   0.00005   2.09834
   R65        2.65179   0.00013  -0.00001   0.00008   0.00006   2.65185
   R66        2.65150   0.00001  -0.00002   0.00004   0.00002   2.65153
   R67        2.63935   0.00005  -0.00004   0.00022   0.00018   2.63953
   R68        2.06133  -0.00005  -0.00002  -0.00018  -0.00020   2.06113
   R69        2.64381   0.00000   0.00002  -0.00011  -0.00009   2.64372
   R70        2.05750   0.00000   0.00001   0.00000   0.00001   2.05751
   R71        2.64206   0.00006  -0.00002   0.00016   0.00014   2.64220
   R72        2.05500   0.00002   0.00000   0.00003   0.00004   2.05503
   R73        2.64147  -0.00001   0.00004  -0.00011  -0.00007   2.64140
   R74        2.05681   0.00000   0.00000   0.00001   0.00001   2.05682
   R75        2.05370  -0.00001   0.00000  -0.00003  -0.00003   2.05368
   R76        2.63989  -0.00018   0.00022   0.00041   0.00063   2.64052
   R77        1.94674  -0.00004   0.00006  -0.00003   0.00003   1.94677
   R78        2.30711  -0.00014  -0.00005  -0.00034  -0.00039   2.30672
   R79        2.62606  -0.00038   0.00013  -0.00019  -0.00006   2.62600
   R80        2.76540   0.00016  -0.00008   0.00012   0.00003   2.76543
   R81        2.78891  -0.00010  -0.00006   0.00020   0.00014   2.78905
   R82        2.09775  -0.00052   0.00036  -0.00131  -0.00095   2.09680
   R83        2.09608  -0.00002  -0.00011   0.00020   0.00009   2.09617
   R84        2.58509   0.00020  -0.00001   0.00047   0.00046   2.58555
   R85        3.30883  -0.00061   0.00027  -0.00246  -0.00219   3.30664
   R86        2.66580  -0.00019   0.00014  -0.00056  -0.00041   2.66538
   R87        2.04989  -0.00004   0.00003  -0.00017  -0.00014   2.04975
   R88        2.49605   0.00000  -0.00001   0.00006   0.00005   2.49610
   R89        3.32475  -0.00018   0.00019   0.00007   0.00026   3.32501
   R90        2.05320  -0.00002   0.00001   0.00001   0.00002   2.05322
   R91        2.89020  -0.00026   0.00036  -0.00047  -0.00011   2.89009
   R92        2.89156   0.00028   0.00004   0.00035   0.00039   2.89195
   R93        2.12138   0.00018  -0.00012   0.00042   0.00030   2.12168
   R94        2.07666  -0.00004   0.00006   0.00032   0.00038   2.07704
   R95        2.08573  -0.00010   0.00009  -0.00066  -0.00057   2.08516
   R96        2.07212  -0.00006   0.00004  -0.00053  -0.00050   2.07163
   R97        2.07453   0.00012  -0.00009   0.00039   0.00030   2.07484
   R98        2.07973   0.00011  -0.00003   0.00028   0.00025   2.07998
   R99        2.06921   0.00003   0.00000   0.00012   0.00012   2.06933
   R100       3.27979   0.00006   0.00011   0.00011   0.00023   3.28001
   R101       2.03835   0.00001   0.00001  -0.00005  -0.00005   2.03831
    A1        1.93478   0.00000   0.00000  -0.00007  -0.00007   1.93471
    A2        1.94479  -0.00002   0.00003  -0.00003   0.00000   1.94479
    A3        1.96108  -0.00002   0.00009   0.00004   0.00013   1.96121
    A4        1.87367   0.00001   0.00005   0.00009   0.00014   1.87381
    A5        1.87038   0.00000  -0.00011  -0.00016  -0.00028   1.87010
    A6        1.87496   0.00002  -0.00007   0.00013   0.00006   1.87502
    A7        1.95151  -0.00001   0.00002  -0.00014  -0.00012   1.95140
    A8        1.92567   0.00000   0.00010   0.00019   0.00029   1.92596
    A9        1.88895   0.00000  -0.00011  -0.00009  -0.00020   1.88875
   A10        1.92695   0.00002   0.00002   0.00024   0.00026   1.92721
   A11        1.88916   0.00000  -0.00001  -0.00001  -0.00002   1.88914
   A12        1.87936  -0.00001  -0.00003  -0.00020  -0.00024   1.87912
   A13        1.96121   0.00001   0.00002   0.00013   0.00015   1.96137
   A14        1.94507   0.00001   0.00003   0.00002   0.00006   1.94512
   A15        1.93450   0.00001  -0.00001   0.00007   0.00005   1.93455
   A16        1.87514  -0.00001  -0.00002  -0.00011  -0.00012   1.87501
   A17        1.86960  -0.00001  -0.00009  -0.00012  -0.00021   1.86938
   A18        1.87414  -0.00001   0.00006  -0.00001   0.00006   1.87419
   A19        2.20971   0.00000   0.00004  -0.00012  -0.00007   2.20964
   A20        2.11690   0.00004  -0.00007   0.00030   0.00023   2.11713
   A21        1.95657  -0.00004   0.00003  -0.00018  -0.00015   1.95642
   A22        1.96113   0.00003   0.00004   0.00021   0.00025   1.96138
   A23        2.04855   0.00010  -0.00009   0.00039   0.00030   2.04885
   A24        2.01111   0.00000  -0.00007  -0.00015  -0.00022   2.01089
   A25        2.22349  -0.00010   0.00016  -0.00024  -0.00008   2.22342
   A26        1.98299  -0.00022   0.00009  -0.00157  -0.00148   1.98151
   A27        1.91959   0.00006   0.00024   0.00051   0.00075   1.92034
   A28        1.92044   0.00012  -0.00018   0.00074   0.00056   1.92100
   A29        1.92304  -0.00002   0.00019  -0.00079  -0.00061   1.92244
   A30        1.87772   0.00010  -0.00018   0.00121   0.00104   1.87875
   A31        1.83372  -0.00003  -0.00019   0.00004  -0.00015   1.83357
   A32        1.98553   0.00009   0.00056   0.00093   0.00149   1.98702
   A33        2.11515  -0.00025   0.00048  -0.00011   0.00037   2.11552
   A34        2.00604   0.00018   0.00024   0.00117   0.00141   2.00744
   A35        1.89614   0.00000   0.00005   0.00011   0.00016   1.89629
   A36        1.92242   0.00012  -0.00006   0.00061   0.00055   1.92297
   A37        1.96684   0.00001  -0.00006  -0.00022  -0.00028   1.96655
   A38        1.88952  -0.00003   0.00012   0.00020   0.00032   1.88984
   A39        1.89919  -0.00004   0.00007  -0.00041  -0.00035   1.89885
   A40        1.88819  -0.00005  -0.00011  -0.00028  -0.00039   1.88780
   A41        2.12775   0.00035  -0.00005   0.00068   0.00062   2.12838
   A42        2.05131  -0.00032  -0.00009  -0.00036  -0.00045   2.05086
   A43        2.10348  -0.00004   0.00020  -0.00042  -0.00022   2.10326
   A44        2.02631  -0.00003   0.00025   0.00042   0.00067   2.02698
   A45        2.06467   0.00004  -0.00001   0.00045   0.00044   2.06510
   A46        1.98793  -0.00002  -0.00023   0.00021  -0.00001   1.98792
   A47        1.92744  -0.00012  -0.00014  -0.00173  -0.00187   1.92557
   A48        1.90668  -0.00011   0.00014   0.00003   0.00017   1.90685
   A49        1.87326   0.00004   0.00020   0.00010   0.00030   1.87355
   A50        1.94050   0.00021  -0.00036   0.00132   0.00096   1.94146
   A51        1.91351   0.00001   0.00005   0.00038   0.00042   1.91393
   A52        1.90103  -0.00004   0.00013  -0.00011   0.00002   1.90106
   A53        2.14783   0.00001  -0.00008  -0.00045  -0.00053   2.14730
   A54        2.02021  -0.00040  -0.00009   0.00064   0.00055   2.02076
   A55        2.11507   0.00040   0.00017  -0.00017   0.00000   2.11507
   A56        2.12376   0.00108   0.00007  -0.00025  -0.00018   2.12358
   A57        2.12118  -0.00052   0.00007   0.00021   0.00028   2.12146
   A58        2.03550  -0.00056  -0.00010  -0.00008  -0.00018   2.03532
   A59        1.91435  -0.00030  -0.00008  -0.00032  -0.00040   1.91395
   A60        1.92696  -0.00002  -0.00014   0.00103   0.00089   1.92785
   A61        1.87536   0.00028   0.00007   0.00024   0.00031   1.87567
   A62        1.96192   0.00007  -0.00003  -0.00093  -0.00096   1.96096
   A63        1.88493   0.00000   0.00013   0.00041   0.00054   1.88547
   A64        1.89774  -0.00001   0.00007  -0.00040  -0.00033   1.89741
   A65        1.99621  -0.00004   0.00002  -0.00010  -0.00007   1.99614
   A66        1.89453   0.00005  -0.00014   0.00048   0.00034   1.89487
   A67        1.89953  -0.00001   0.00011  -0.00028  -0.00018   1.89936
   A68        1.91848  -0.00001  -0.00003  -0.00009  -0.00012   1.91837
   A69        1.92256   0.00002   0.00005   0.00002   0.00007   1.92263
   A70        1.82442  -0.00001  -0.00001  -0.00003  -0.00004   1.82438
   A71        2.09355   0.00003  -0.00003   0.00019   0.00016   2.09372
   A72        2.10421  -0.00002  -0.00001  -0.00017  -0.00018   2.10402
   A73        2.08540  -0.00001   0.00004  -0.00002   0.00002   2.08542
   A74        2.09690   0.00001  -0.00003   0.00001  -0.00002   2.09688
   A75        2.09721   0.00000   0.00001   0.00000   0.00001   2.09722
   A76        2.08898  -0.00001   0.00002  -0.00001   0.00001   2.08899
   A77        2.09861   0.00000   0.00000   0.00001   0.00002   2.09863
   A78        2.09062   0.00000  -0.00001   0.00004   0.00002   2.09064
   A79        2.09395   0.00000   0.00001  -0.00005  -0.00004   2.09391
   A80        2.08981   0.00000   0.00000   0.00000   0.00000   2.08981
   A81        2.09678   0.00000   0.00002  -0.00004  -0.00002   2.09676
   A82        2.09658   0.00001  -0.00003   0.00005   0.00002   2.09660
   A83        2.09920   0.00000   0.00000   0.00001   0.00000   2.09921
   A84        2.09292   0.00000   0.00002   0.00000   0.00002   2.09294
   A85        2.09106   0.00000  -0.00002  -0.00001  -0.00002   2.09104
   A86        2.09640   0.00001  -0.00002   0.00000  -0.00002   2.09638
   A87        2.09772   0.00000  -0.00001  -0.00002  -0.00003   2.09769
   A88        2.08905   0.00000   0.00003   0.00002   0.00005   2.08910
   A89        1.94200   0.00042  -0.00005   0.00080   0.00075   1.94275
   A90        1.93129  -0.00040  -0.00013   0.00011  -0.00002   1.93126
   A91        1.91261   0.00009   0.00009  -0.00144  -0.00135   1.91126
   A92        1.89834   0.00019   0.00008   0.00048   0.00055   1.89890
   A93        1.93907  -0.00042  -0.00010  -0.00082  -0.00092   1.93815
   A94        1.83792   0.00009   0.00013   0.00086   0.00100   1.83892
   A95        1.88121   0.00042  -0.00021   0.00032   0.00012   1.88133
   A96        2.00545  -0.00031  -0.00029   0.00048   0.00019   2.00564
   A97        1.93852  -0.00011   0.00022  -0.00048  -0.00026   1.93826
   A98        1.79910  -0.00034  -0.00004  -0.00082  -0.00086   1.79825
   A99        1.90455  -0.00005   0.00017   0.00023   0.00040   1.90494
   A100       1.92732   0.00039   0.00014   0.00026   0.00039   1.92772
   A101       1.92097  -0.00012   0.00025   0.00000   0.00025   1.92123
   A102       1.94561   0.00047  -0.00024   0.00081   0.00057   1.94619
   A103       1.89059   0.00024   0.00005   0.00197   0.00202   1.89261
   A104       1.90828  -0.00042  -0.00002  -0.00080  -0.00082   1.90747
   A105       1.94895  -0.00051   0.00005  -0.00218  -0.00213   1.94682
   A106       1.92002   0.00007   0.00006   0.00069   0.00075   1.92077
   A107       1.84739   0.00013   0.00011  -0.00054  -0.00043   1.84696
   A108       1.94842   0.00002  -0.00003   0.00008   0.00005   1.94847
   A109       1.91888  -0.00002   0.00000  -0.00018  -0.00017   1.91871
   A110       1.91095   0.00006  -0.00005   0.00060   0.00056   1.91151
   A111       1.92344   0.00002  -0.00006   0.00001  -0.00005   1.92339
   A112       1.92594  -0.00006   0.00010  -0.00031  -0.00020   1.92574
   A113       1.83278  -0.00002   0.00003  -0.00024  -0.00020   1.83258
   A114       2.09393   0.00000  -0.00009  -0.00026  -0.00035   2.09358
   A115       2.09977   0.00002   0.00004   0.00023   0.00026   2.10004
   A116       2.08948  -0.00002   0.00005   0.00003   0.00008   2.08957
   A117       2.09478   0.00000  -0.00003  -0.00002  -0.00005   2.09472
   A118       2.08901   0.00003  -0.00001   0.00013   0.00011   2.08912
   A119       2.09938  -0.00003   0.00005  -0.00011  -0.00006   2.09931
   A120       2.09834  -0.00001   0.00001  -0.00005  -0.00004   2.09830
   A121       2.09133   0.00000  -0.00002  -0.00003  -0.00004   2.09129
   A122       2.09351   0.00001   0.00000   0.00008   0.00008   2.09359
   A123       2.09113   0.00000   0.00001   0.00002   0.00003   2.09115
   A124       2.09559   0.00001  -0.00001   0.00007   0.00006   2.09565
   A125       2.09647  -0.00001   0.00001  -0.00009  -0.00009   2.09639
   A126       2.09860   0.00002  -0.00001   0.00006   0.00005   2.09865
   A127       2.09341  -0.00002   0.00002  -0.00013  -0.00010   2.09331
   A128       2.09118   0.00000  -0.00002   0.00007   0.00005   2.09123
   A129       2.09404   0.00001  -0.00003  -0.00004  -0.00007   2.09397
   A130       2.09897  -0.00003   0.00009  -0.00018  -0.00009   2.09888
   A131       2.09018   0.00002  -0.00006   0.00022   0.00016   2.09034
   A132       2.06392  -0.00001  -0.00020   0.00031   0.00011   2.06403
   A133       1.97428  -0.00019   0.00015   0.00101   0.00116   1.97544
   A134       2.02045   0.00037  -0.00007   0.00065   0.00058   2.02103
   A135       2.24877  -0.00011  -0.00004   0.00001  -0.00003   2.24874
   A136       1.90698   0.00034  -0.00003  -0.00022  -0.00025   1.90674
   A137       2.12660  -0.00024   0.00003   0.00022   0.00025   2.12685
   A138       2.02079  -0.00066  -0.00003  -0.00140  -0.00143   2.01935
   A139       1.92472   0.00042  -0.00036  -0.00107  -0.00143   1.92329
   A140       1.75832  -0.00021   0.00030   0.00074   0.00104   1.75936
   A141       1.88948  -0.00010  -0.00025   0.00011  -0.00014   1.88934
   A142       1.98219   0.00033   0.00001   0.00071   0.00072   1.98291
   A143       1.96739  -0.00042   0.00008  -0.00033  -0.00025   1.96714
   A144       1.92876   0.00001   0.00022  -0.00009   0.00012   1.92888
   A145       2.27819   0.00020  -0.00002  -0.00202  -0.00205   2.27614
   A146       2.09122  -0.00034  -0.00002   0.00139   0.00137   2.09259
   A147       1.91372   0.00014   0.00005   0.00059   0.00064   1.91435
   A148       2.01332  -0.00021   0.00001  -0.00055  -0.00055   2.01277
   A149       2.21957   0.00005   0.00020  -0.00021  -0.00001   2.21956
   A150       2.05027   0.00016  -0.00022   0.00079   0.00058   2.05084
   A151       1.94601   0.00006  -0.00007   0.00016   0.00009   1.94610
   A152       1.98206  -0.00005   0.00012  -0.00041  -0.00029   1.98176
   A153       2.18293   0.00001   0.00007  -0.00056  -0.00049   2.18245
   A154       2.11765   0.00003  -0.00024   0.00087   0.00062   2.11827
   A155       1.56947   0.00005  -0.00014   0.00019   0.00004   1.56951
   A156       1.96571   0.00003   0.00003   0.00071   0.00074   1.96645
   A157       1.92368   0.00004  -0.00003  -0.00012  -0.00015   1.92352
   A158       1.85752  -0.00006   0.00003  -0.00054  -0.00051   1.85701
   A159       1.93525  -0.00011   0.00020  -0.00088  -0.00068   1.93456
   A160       1.88791   0.00003   0.00003  -0.00012  -0.00009   1.88782
   A161       1.89031   0.00007  -0.00028   0.00100   0.00071   1.89103
   A162       1.95647   0.00001   0.00008   0.00067   0.00075   1.95723
   A163       1.96411  -0.00010   0.00032  -0.00073  -0.00041   1.96370
   A164       1.94228  -0.00006   0.00016  -0.00077  -0.00061   1.94167
   A165       1.85320   0.00006  -0.00035  -0.00012  -0.00046   1.85273
   A166       1.86629   0.00007  -0.00015   0.00084   0.00069   1.86698
   A167       1.87563   0.00004  -0.00011   0.00019   0.00008   1.87571
   A168       1.93233   0.00006  -0.00013   0.00023   0.00010   1.93242
   A169       1.96627  -0.00004   0.00006  -0.00035  -0.00029   1.96597
   A170       1.96022   0.00003   0.00006   0.00005   0.00011   1.96033
   A171       1.85380  -0.00002   0.00005  -0.00037  -0.00033   1.85348
   A172       1.86293  -0.00005   0.00007  -0.00001   0.00006   1.86299
   A173       1.88214   0.00001  -0.00010   0.00044   0.00035   1.88249
   A174       1.91630  -0.00002   0.00004   0.00001   0.00006   1.91635
   A175       2.23708   0.00005   0.00013   0.00050   0.00062   2.23770
   A176       2.12979  -0.00003  -0.00017  -0.00052  -0.00069   2.12911
   A177       1.57965   0.00004  -0.00004   0.00011   0.00007   1.57972
    D1        1.10192  -0.00002  -0.00058  -0.00410  -0.00468   1.09723
    D2       -3.02949  -0.00001  -0.00046  -0.00376  -0.00422  -3.03372
    D3       -0.97729  -0.00002  -0.00051  -0.00395  -0.00446  -0.98175
    D4       -3.09565  -0.00002  -0.00049  -0.00405  -0.00455  -3.10019
    D5       -0.94387  -0.00001  -0.00037  -0.00371  -0.00409  -0.94796
    D6        1.10833  -0.00002  -0.00042  -0.00390  -0.00433   1.10401
    D7       -0.99042  -0.00002  -0.00050  -0.00388  -0.00437  -0.99479
    D8        1.16136   0.00000  -0.00038  -0.00354  -0.00391   1.15745
    D9       -3.06962  -0.00002  -0.00043  -0.00373  -0.00415  -3.07378
   D10        1.00691   0.00000  -0.00088  -0.00089  -0.00177   1.00515
   D11        3.11266   0.00000  -0.00086  -0.00092  -0.00178   3.11088
   D12       -1.08432   0.00000  -0.00076  -0.00087  -0.00164  -1.08595
   D13       -1.14414   0.00000  -0.00104  -0.00120  -0.00224  -1.14638
   D14        0.96161  -0.00001  -0.00102  -0.00124  -0.00226   0.95935
   D15        3.04782   0.00000  -0.00093  -0.00119  -0.00211   3.04570
   D16        3.08599   0.00000  -0.00101  -0.00108  -0.00210   3.08390
   D17       -1.09145   0.00000  -0.00099  -0.00112  -0.00211  -1.09356
   D18        0.99476   0.00000  -0.00090  -0.00107  -0.00196   0.99280
   D19        2.05279  -0.00001   0.00155   0.00275   0.00430   2.05709
   D20       -1.09089   0.00001   0.00240   0.00319   0.00560  -1.08530
   D21       -2.06440  -0.00001   0.00167   0.00287   0.00453  -2.05986
   D22        1.07510   0.00001   0.00252   0.00332   0.00583   1.08094
   D23       -0.00532  -0.00001   0.00165   0.00287   0.00452  -0.00080
   D24        3.13418   0.00001   0.00250   0.00331   0.00582   3.14000
   D25       -3.13843   0.00001   0.00006   0.00025   0.00031  -3.13812
   D26        0.00510  -0.00001  -0.00072  -0.00017  -0.00089   0.00421
   D27        3.13889   0.00000   0.00008  -0.00004   0.00004   3.13893
   D28       -0.00452   0.00002   0.00082   0.00035   0.00117  -0.00335
   D29        3.13048  -0.00001   0.00008   0.00036   0.00043   3.13092
   D30       -0.00323  -0.00001   0.00021  -0.00018   0.00003  -0.00319
   D31        1.99264   0.00004  -0.00107  -0.01120  -0.01227   1.98037
   D32       -2.12574  -0.00009  -0.00058  -0.01300  -0.01358  -2.13932
   D33       -0.11381  -0.00003  -0.00077  -0.01223  -0.01300  -0.12681
   D34       -1.15792   0.00004  -0.00123  -0.01059  -0.01182  -1.16974
   D35        1.00688  -0.00009  -0.00074  -0.01238  -0.01312   0.99375
   D36        3.01881  -0.00003  -0.00093  -0.01162  -0.01254   3.00626
   D37       -0.00029   0.00002   0.00041   0.00044   0.00085   0.00056
   D38       -3.13543   0.00002  -0.00028   0.00220   0.00192  -3.13351
   D39       -3.13307   0.00002   0.00057  -0.00016   0.00040  -3.13267
   D40        0.01498   0.00002  -0.00013   0.00160   0.00147   0.01645
   D41       -1.22226  -0.00014  -0.00074  -0.00476  -0.00550  -1.22776
   D42        1.28428  -0.00002   0.00140  -0.00113   0.00027   1.28455
   D43        2.89800  -0.00005  -0.00127  -0.00366  -0.00493   2.89307
   D44       -0.87865   0.00007   0.00088  -0.00004   0.00084  -0.87781
   D45        0.90806  -0.00005  -0.00105  -0.00396  -0.00501   0.90305
   D46       -2.86859   0.00006   0.00110  -0.00034   0.00076  -2.86783
   D47       -1.17147   0.00000   0.00242   0.00341   0.00583  -1.16564
   D48        3.04481  -0.00003   0.00228   0.00275   0.00503   3.04984
   D49        0.93449  -0.00005   0.00250   0.00283   0.00533   0.93982
   D50        2.56409   0.00005   0.00033   0.00051   0.00084   2.56492
   D51        0.49718   0.00002   0.00019  -0.00016   0.00003   0.49721
   D52       -1.61314   0.00000   0.00041  -0.00008   0.00033  -1.61280
   D53       -2.76895  -0.00014  -0.00191  -0.00445  -0.00636  -2.77532
   D54        0.41103   0.00000  -0.00344  -0.00144  -0.00488   0.40615
   D55       -0.26930  -0.00005   0.00037  -0.00088  -0.00051  -0.26981
   D56        2.91069   0.00009  -0.00117   0.00213   0.00097   2.91165
   D57        2.83737  -0.00013  -0.00095  -0.00490  -0.00585   2.83153
   D58        0.37812  -0.00011  -0.00088  -0.00654  -0.00743   0.37069
   D59       -0.26638  -0.00001  -0.00245  -0.00196  -0.00441  -0.27079
   D60       -2.72564   0.00002  -0.00239  -0.00360  -0.00599  -2.73163
   D61       -1.40620   0.00007  -0.00005  -0.00645  -0.00650  -1.41270
   D62        2.73753  -0.00004   0.00039  -0.00698  -0.00659   2.73094
   D63        0.67888   0.00004   0.00005  -0.00692  -0.00687   0.67201
   D64        1.08270   0.00007  -0.00004  -0.00479  -0.00483   1.07787
   D65       -1.05676  -0.00004   0.00041  -0.00532  -0.00492  -1.06167
   D66       -3.11540   0.00004   0.00006  -0.00526  -0.00520  -3.12060
   D67       -0.60539   0.00010  -0.00085   0.00456   0.00372  -0.60167
   D68        2.54918   0.00013  -0.00102   0.00303   0.00200   2.55118
   D69        1.51415   0.00002  -0.00100   0.00430   0.00330   1.51745
   D70       -1.61447   0.00005  -0.00118   0.00277   0.00159  -1.61289
   D71       -2.66596   0.00012  -0.00103   0.00526   0.00422  -2.66174
   D72        0.48860   0.00015  -0.00121   0.00372   0.00251   0.49111
   D73        1.16297   0.00003   0.00046  -0.00025   0.00021   1.16318
   D74       -2.94896  -0.00005   0.00073  -0.00098  -0.00025  -2.94922
   D75       -0.90291   0.00002   0.00039  -0.00017   0.00023  -0.90268
   D76       -0.96865   0.00012   0.00078   0.00104   0.00182  -0.96683
   D77        1.20260   0.00004   0.00104   0.00032   0.00135   1.20396
   D78       -3.03453   0.00010   0.00071   0.00113   0.00183  -3.03269
   D79       -3.07908  -0.00001   0.00086  -0.00018   0.00067  -3.07840
   D80       -0.90782  -0.00009   0.00112  -0.00091   0.00021  -0.90761
   D81        1.13824  -0.00002   0.00079  -0.00010   0.00069   1.13893
   D82        3.11400  -0.00004   0.00088   0.00136   0.00225   3.11624
   D83        0.05471   0.00003   0.00034   0.00302   0.00336   0.05807
   D84       -0.01489  -0.00001   0.00071  -0.00014   0.00057  -0.01432
   D85       -3.07417   0.00006   0.00017   0.00152   0.00169  -3.07249
   D86        2.50618   0.00016  -0.00126  -0.00140  -0.00266   2.50352
   D87       -1.60566   0.00002  -0.00145  -0.00210  -0.00355  -1.60921
   D88        0.46138   0.00016  -0.00141  -0.00186  -0.00326   0.45811
   D89       -0.71388   0.00009  -0.00073  -0.00297  -0.00371  -0.71758
   D90        1.45746  -0.00004  -0.00092  -0.00366  -0.00459   1.45287
   D91       -2.75868   0.00009  -0.00088  -0.00343  -0.00431  -2.76299
   D92        1.04485  -0.00012  -0.00054   0.00014  -0.00040   1.04445
   D93       -1.10423  -0.00012  -0.00041  -0.00004  -0.00045  -1.10468
   D94       -3.08010  -0.00013  -0.00038  -0.00011  -0.00050  -3.08060
   D95       -1.10603   0.00007  -0.00028  -0.00030  -0.00058  -1.10661
   D96        3.02808   0.00007  -0.00015  -0.00048  -0.00064   3.02744
   D97        1.05221   0.00007  -0.00012  -0.00056  -0.00068   1.05153
   D98        3.08365   0.00005  -0.00043   0.00049   0.00006   3.08371
   D99        0.93457   0.00005  -0.00030   0.00031   0.00000   0.93457
   D100      -1.04130   0.00004  -0.00027   0.00023  -0.00004  -1.04134
   D101       1.21570   0.00054   0.00043  -0.00610  -0.00567   1.21003
   D102      -0.89689   0.00029   0.00045  -0.00732  -0.00687  -0.90376
   D103      -2.91610   0.00036   0.00032  -0.00759  -0.00727  -2.92337
   D104      -2.92369   0.00019   0.00020  -0.00642  -0.00622  -2.92991
   D105       1.24691  -0.00006   0.00023  -0.00764  -0.00742   1.23949
   D106      -0.77229   0.00001   0.00009  -0.00791  -0.00782  -0.78011
   D107      -0.83762   0.00022   0.00039  -0.00675  -0.00636  -0.84398
   D108      -2.95021  -0.00003   0.00041  -0.00797  -0.00756  -2.95777
   D109       1.31377   0.00004   0.00028  -0.00824  -0.00796   1.30581
   D110      -1.65416   0.00000  -0.00003   0.00280   0.00277  -1.65138
   D111       1.49542   0.00000  -0.00011   0.00312   0.00301   1.49843
   D112       0.48193   0.00002  -0.00022   0.00329   0.00308   0.48501
   D113      -2.65167   0.00003  -0.00030   0.00361   0.00331  -2.64836
   D114       2.48321   0.00002  -0.00022   0.00322   0.00300   2.48621
   D115      -0.65040   0.00002  -0.00030   0.00354   0.00324  -0.64716
   D116       3.14025   0.00000  -0.00003   0.00021   0.00017   3.14042
   D117      -0.01581   0.00000   0.00009  -0.00018  -0.00009  -0.01590
   D118      -0.00924   0.00000   0.00005  -0.00011  -0.00006  -0.00930
   D119       3.11788  -0.00001   0.00017  -0.00050  -0.00032   3.11756
   D120      -3.13952   0.00000   0.00004  -0.00024  -0.00021  -3.13973
   D121       0.00858  -0.00001   0.00005  -0.00044  -0.00039   0.00819
   D122       0.01002   0.00000  -0.00005   0.00007   0.00003   0.01004
   D123      -3.12506   0.00000  -0.00003  -0.00013  -0.00016  -3.12522
   D124       0.00147   0.00000  -0.00002   0.00006   0.00004   0.00152
   D125       3.13863   0.00000   0.00004  -0.00012  -0.00008   3.13855
   D126      -3.12572   0.00001  -0.00014   0.00044   0.00030  -3.12541
   D127       0.01144   0.00000  -0.00008   0.00026   0.00018   0.01162
   D128       0.00556   0.00000  -0.00002   0.00003   0.00001   0.00557
   D129      -3.14141   0.00000   0.00006  -0.00014  -0.00009  -3.14150
   D130      -3.13159   0.00000  -0.00007   0.00021   0.00014  -3.13145
   D131       0.00463   0.00000   0.00000   0.00003   0.00004   0.00466
   D132      -0.00477   0.00000   0.00002  -0.00007  -0.00005  -0.00482
   D133       3.13433   0.00000   0.00005  -0.00012  -0.00007   3.13426
   D134      -3.14099   0.00000  -0.00005   0.00011   0.00005  -3.14094
   D135      -0.00189   0.00000  -0.00003   0.00005   0.00003  -0.00186
   D136      -0.00304   0.00000   0.00001   0.00002   0.00003  -0.00301
   D137       3.13207   0.00000   0.00000   0.00022   0.00021   3.13228
   D138       3.14104   0.00000  -0.00002   0.00007   0.00005   3.14109
   D139      -0.00704   0.00000  -0.00003   0.00027   0.00024  -0.00680
   D140      -1.81248   0.00012   0.00169   0.00284   0.00452  -1.80796
   D141       2.47637   0.00044   0.00203   0.00337   0.00540   2.48177
   D142       0.27300   0.00025   0.00189   0.00303   0.00493   0.27792
   D143       0.31930   0.00002   0.00154   0.00382   0.00536   0.32466
   D144      -1.67503   0.00034   0.00188   0.00435   0.00623  -1.66880
   D145       2.40478   0.00015   0.00175   0.00401   0.00576   2.41054
   D146       2.33452   0.00000   0.00169   0.00469   0.00637   2.34089
   D147       0.34018   0.00032   0.00203   0.00522   0.00725   0.34743
   D148      -1.86319   0.00013   0.00189   0.00489   0.00678  -1.85642
   D149       1.74453   0.00008   0.00001  -0.00285  -0.00284   1.74169
   D150      -2.41096  -0.00025  -0.00044  -0.00257  -0.00301  -2.41397
   D151      -0.36239   0.00000  -0.00023  -0.00259  -0.00282  -0.36521
   D152      -1.05912   0.00011   0.00116   0.00737   0.00853  -1.05059
   D153       3.07303   0.00028   0.00121   0.00824   0.00945   3.08247
   D154       1.06760   0.00022   0.00106   0.00823   0.00930   1.07690
   D155      -3.10074  -0.00003   0.00158   0.00727   0.00884  -3.09190
   D156       1.03141   0.00014   0.00163   0.00813   0.00976   1.04117
   D157      -0.97402   0.00008   0.00148   0.00813   0.00961  -0.96441
   D158       1.15000   0.00004   0.00134   0.00732   0.00867   1.15867
   D159      -1.00103   0.00021   0.00140   0.00818   0.00958  -0.99145
   D160      -3.00646   0.00014   0.00125   0.00818   0.00943  -2.99703
   D161       2.97849  -0.00018   0.00077  -0.00191  -0.00113   2.97736
   D162      -1.16442  -0.00015   0.00068  -0.00195  -0.00128  -1.16570
   D163       0.84058  -0.00015   0.00069  -0.00199  -0.00130   0.83928
   D164      -1.18728   0.00010   0.00070  -0.00033   0.00037  -1.18691
   D165       0.95300   0.00013   0.00061  -0.00038   0.00022   0.95322
   D166       2.95800   0.00013   0.00062  -0.00042   0.00020   2.95820
   D167       0.85857  -0.00001   0.00091  -0.00191  -0.00099   0.85758
   D168       2.99885   0.00002   0.00082  -0.00196  -0.00114   2.99771
   D169      -1.27934   0.00002   0.00083  -0.00200  -0.00116  -1.28050
   D170       1.07218   0.00081  -0.00067  -0.00084  -0.00151   1.07067
   D171      -1.37115   0.00045  -0.00048  -0.00373  -0.00421  -1.37536
   D172      -1.07684   0.00039  -0.00044  -0.00179  -0.00223  -1.07907
   D173       2.76302   0.00003  -0.00025  -0.00468  -0.00493   2.75809
   D174       3.11713   0.00052  -0.00061  -0.00109  -0.00169   3.11544
   D175       0.67381   0.00015  -0.00042  -0.00397  -0.00440   0.66941
   D176       1.65728  -0.00001  -0.00059   0.00099   0.00040   1.65768
   D177      -1.48640  -0.00001  -0.00057   0.00109   0.00052  -1.48588
   D178      -0.48039  -0.00001  -0.00053   0.00115   0.00062  -0.47977
   D179       2.65911  -0.00001  -0.00051   0.00125   0.00074   2.65985
   D180      -2.49661   0.00004  -0.00060   0.00161   0.00101  -2.49560
   D181       0.64290   0.00004  -0.00057   0.00170   0.00113   0.64403
   D182       3.13690   0.00000   0.00003  -0.00011  -0.00008   3.13682
   D183      -0.01202  -0.00001   0.00013  -0.00052  -0.00038  -0.01240
   D184      -0.00262   0.00000   0.00001  -0.00021  -0.00020  -0.00282
   D185       3.13165  -0.00001   0.00011  -0.00061  -0.00051   3.13115
   D186      -3.13647   0.00000  -0.00003   0.00009   0.00006  -3.13641
   D187       0.00537   0.00000  -0.00005   0.00013   0.00009   0.00546
   D188       0.00304   0.00000  -0.00001   0.00019   0.00018   0.00323
   D189      -3.13830   0.00000  -0.00002   0.00023   0.00021  -3.13809
   D190       0.00016   0.00000   0.00000   0.00007   0.00007   0.00023
   D191       3.14076   0.00000   0.00003   0.00001   0.00004   3.14080
   D192      -3.13406   0.00001  -0.00010   0.00048   0.00038  -3.13369
   D193       0.00653   0.00001  -0.00007   0.00041   0.00034   0.00688
   D194       0.00188   0.00000   0.00000   0.00009   0.00008   0.00196
   D195      -3.14060   0.00000   0.00001   0.00006   0.00007  -3.14053
   D196      -3.13872   0.00000  -0.00004   0.00015   0.00011  -3.13861
   D197       0.00199   0.00000  -0.00002   0.00012   0.00010   0.00209
   D198      -0.00145   0.00000   0.00001  -0.00010  -0.00010  -0.00155
   D199       3.14017   0.00000   0.00004  -0.00016  -0.00012   3.14005
   D200       3.14103   0.00000  -0.00001  -0.00008  -0.00009   3.14094
   D201      -0.00054   0.00000   0.00002  -0.00013  -0.00011  -0.00065
   D202      -0.00101   0.00000   0.00000  -0.00003  -0.00003  -0.00105
   D203       3.14033   0.00000   0.00001  -0.00007  -0.00006   3.14027
   D204       3.14055   0.00000  -0.00003   0.00003  -0.00001   3.14054
   D205      -0.00129   0.00000  -0.00002  -0.00002  -0.00004  -0.00133
   D206       0.57790   0.00028   0.00095   0.00006   0.00101   0.57892
   D207      -2.60758   0.00009   0.00004   0.00035   0.00039  -2.60720
   D208       3.00329   0.00043   0.00085   0.00315   0.00400   3.00729
   D209      -0.18219   0.00025  -0.00007   0.00344   0.00338  -0.17882
   D210       3.08445   0.00098  -0.00100   0.00532   0.00432   3.08876
   D211      -0.09739   0.00082  -0.00184   0.00557   0.00373  -0.09365
   D212      -1.14869   0.00075  -0.00032   0.00244   0.00212  -1.14657
   D213       3.03544   0.00031  -0.00034   0.00169   0.00135   3.03680
   D214       1.01113   0.00043  -0.00062   0.00141   0.00079   1.01192
   D215      -2.04556  -0.00009   0.00090   0.00476   0.00566  -2.03990
   D216       1.08277  -0.00008   0.00142   0.00006   0.00148   1.08424
   D217      -0.08709   0.00010   0.00105   0.00542   0.00647  -0.08062
   D218       3.04124   0.00011   0.00157   0.00072   0.00229   3.04353
   D219       2.12364   0.00002   0.00142   0.00561   0.00703   2.13067
   D220      -1.03121   0.00004   0.00194   0.00091   0.00285  -1.02836
   D221      -3.13999   0.00009   0.00168  -0.00385  -0.00217   3.14102
   D222      -0.00694   0.00004   0.00070   0.00044   0.00113  -0.00581
   D223       0.01382   0.00009   0.00120   0.00048   0.00168   0.01549
   D224      -3.13632   0.00003   0.00021   0.00476   0.00498  -3.13134
   D225       3.13548  -0.00016  -0.00181   0.00289   0.00108   3.13657
   D226      -0.01681  -0.00015  -0.00139  -0.00092  -0.00232  -0.01913
   D227      -0.00110   0.00006  -0.00019   0.00046   0.00027  -0.00083
   D228      -3.13502   0.00011   0.00069  -0.00339  -0.00269  -3.13771
   D229      -0.01244  -0.00018  -0.00094  -0.00117  -0.00211  -0.01455
   D230      -3.11898   0.00002   0.00067   0.00210   0.00277  -3.11621
   D231       0.01719   0.00019   0.00137   0.00124   0.00261   0.01980
   D232       3.12520   0.00001  -0.00016  -0.00193  -0.00210   3.12310
   D233      -1.00637   0.00002   0.00244   0.00151   0.00394  -1.00242
   D234       1.08121   0.00003   0.00227   0.00132   0.00359   1.08480
   D235      -3.09555  -0.00003   0.00247   0.00050   0.00297  -3.09258
   D236       3.11194   0.00002   0.00230   0.00181   0.00411   3.11605
   D237      -1.08367   0.00003   0.00214   0.00162   0.00376  -1.07990
   D238       1.02276  -0.00004   0.00233   0.00081   0.00314   1.02590
   D239       1.04159  -0.00001   0.00251   0.00118   0.00370   1.04529
   D240       3.12917  -0.00001   0.00235   0.00100   0.00334   3.13252
   D241      -1.04759  -0.00007   0.00254   0.00018   0.00272  -1.04487
   D242       2.98221   0.00002  -0.00166   0.00283   0.00118   2.98339
   D243      -1.22795   0.00001  -0.00165   0.00229   0.00064  -1.22732
   D244       0.90161   0.00002  -0.00170   0.00265   0.00096   0.90257
   D245      -1.11230   0.00002  -0.00149   0.00302   0.00153  -1.11077
   D246       0.96072   0.00001  -0.00149   0.00248   0.00099   0.96171
   D247       3.09029   0.00002  -0.00153   0.00284   0.00131   3.09160
   D248       0.95660   0.00003  -0.00152   0.00298   0.00146   0.95806
   D249       3.02962   0.00002  -0.00151   0.00243   0.00092   3.03054
   D250      -1.12400   0.00003  -0.00155   0.00279   0.00124  -1.12276
   D251       0.00256  -0.00002  -0.00066  -0.00043  -0.00110   0.00147
   D252       3.13817  -0.00001  -0.00002  -0.00206  -0.00208   3.13609
         Item               Value     Threshold  Converged?
 Maximum Force            0.001081     0.000450     NO 
 RMS     Force            0.000173     0.000300     YES
 Maximum Displacement     0.070891     0.001800     NO 
 RMS     Displacement     0.016815     0.001200     NO 
 Predicted change in Energy=-2.086684D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.771316   -2.014103    1.006444
      2          6           0       -9.330781   -1.043867   -0.094009
      3          6           0      -10.145033    0.253253   -0.068384
      4          6           0       -7.869564   -0.745624    0.029534
      5          7           0       -6.939361   -1.013663   -0.854934
      6          6           0       -5.650064   -0.602965   -0.424852
      7          6           0       -4.495298   -0.869625   -1.349218
      8          7           0       -3.875681    0.364648   -1.895377
      9          6           0       -4.731777    1.083401   -2.880030
     10          6           0       -3.061255    1.199696   -1.085328
     11          8           0       -2.853564    2.374723   -1.367906
     12          7           0       -2.443108    0.609342    0.056774
     13          6           0       -1.304214    1.354571    0.640419
     14          6           0       -0.014164    1.077187   -0.161661
     15          8           0        0.230348   -0.008959   -0.682809
     16          7           0        0.877742    2.134307   -0.253402
     17          6           0        2.177347    2.001188   -0.968765
     18          6           0        2.506323    3.322092   -1.699077
     19          6           0        2.622871    4.518352   -0.795406
     20          6           0        1.512007    5.351992   -0.588772
     21          6           0        1.615668    6.463709    0.251195
     22          6           0        2.825622    6.753917    0.889311
     23          6           0        3.935927    5.930262    0.678650
     24          6           0        3.838479    4.817473   -0.161074
     25          6           0        3.292404    1.579020    0.012031
     26          6           0        3.092986    0.138997    0.495348
     27          8           0        2.569399    0.193394    1.840341
     28          6           0        4.404398   -0.684768    0.662005
     29          6           0        5.168522   -0.803246   -0.667169
     30          6           0        6.536158   -1.396108   -0.469577
     31          6           0        6.734465   -2.774190   -0.645105
     32          6           0        8.005495   -3.325484   -0.467489
     33          6           0        9.084545   -2.508140   -0.114227
     34          6           0        8.887776   -1.135323    0.063534
     35          6           0        7.618252   -0.577491   -0.112219
     36          7           0        4.051025   -2.031320    1.215335
     37          6           0        3.211855   -2.856607    0.462238
     38          8           0        3.123196   -2.955415   -0.751185
     39          8           0        2.465857   -3.656145    1.319718
     40          6           0        1.484606   -4.531852    0.677977
     41          6           0        0.427845   -3.727438    0.034187
     42          6           0       -0.914773   -3.659997    0.288834
     43          7           0       -1.640358   -2.770592   -0.530853
     44          6           0       -0.854279   -2.164843   -1.402562
     45         16           0        0.837738   -2.626896   -1.262960
     46          6           0       -1.137352    0.949665    2.134809
     47          6           0       -0.705619   -0.507479    2.306012
     48          6           0       -0.155401    1.893994    2.831938
     49          6           0       -5.608239   -0.010860    0.805079
     50         16           0       -7.205700    0.054502    1.480747
     51          1           0      -10.812732   -2.323831    0.859664
     52          1           0       -9.156568   -2.923195    1.009119
     53          1           0       -9.704187   -1.569276    2.006347
     54          1           0       -9.494873   -1.544024   -1.091465
     55          1           0      -10.080196    0.767832    0.897711
     56          1           0       -9.804104    0.956233   -0.838723
     57          1           0      -11.206343    0.051390   -0.255726
     58          1           0       -3.722372   -1.491502   -0.828212
     59          1           0       -4.833595   -1.492781   -2.217383
     60          1           0       -4.836410    0.456069   -3.780198
     61          1           0       -4.255109    2.037830   -3.175451
     62          1           0       -5.735962    1.308567   -2.485409
     63          1           0       -2.325340   -0.413983    0.074567
     64          1           0       -1.557362    2.454530    0.584835
     65          1           0        0.708845    3.017316    0.225638
     66          1           0        2.054401    1.192409   -1.747526
     67          1           0        1.724933    3.504581   -2.470943
     68          1           0        3.443861    3.187333   -2.278280
     69          1           0        0.568895    5.142796   -1.093530
     70          1           0        0.750818    7.108255    0.405138
     71          1           0        2.904381    7.620044    1.543122
     72          1           0        4.881757    6.157523    1.168847
     73          1           0        4.710379    4.188183   -0.325105
     74          1           0        3.313752    2.253658    0.895367
     75          1           0        4.279267    1.702006   -0.474942
     76          1           0        2.367126   -0.408693   -0.159771
     77          1           0        1.582815    0.053864    1.829274
     78          1           0        5.054217   -0.195472    1.437871
     79          1           0        4.581099   -1.420429   -1.390777
     80          1           0        5.246722    0.198048   -1.140737
     81          1           0        5.891051   -3.411651   -0.913311
     82          1           0        8.155581   -4.395230   -0.603768
     83          1           0       10.073269   -2.939820    0.022458
     84          1           0        9.725567   -0.497786    0.339784
     85          1           0        7.473817    0.490311    0.029135
     86          1           0        3.874792   -2.019228    2.230265
     87          1           0        1.127803   -5.118405    1.549648
     88          1           0        2.020300   -5.187411   -0.038755
     89          1           0       -1.468052   -4.213816    1.039633
     90          1           0       -1.179534   -1.420074   -2.123709
     91          1           0       -2.146241    1.074103    2.611483
     92          1           0       -1.410814   -1.206560    1.834783
     93          1           0        0.279145   -0.712416    1.852385
     94          1           0       -0.643306   -0.781529    3.365633
     95          1           0       -0.152408    1.720092    3.916031
     96          1           0        0.882525    1.750101    2.495052
     97          1           0       -0.414081    2.947451    2.682173
     98          1           0       -4.750376    0.382468    1.327379
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0821228      0.0287172      0.0232100
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3657.9876211554 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258317822994     A.U. after   16 cycles
             Convg  =    0.6988D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000008825   -0.000039584    0.000016372
      2        6           0.000002204    0.000004467    0.000026075
      3        6          -0.000001512   -0.000007087    0.000037409
      4        6           0.000017065    0.000071316    0.000020067
      5        7           0.000073233   -0.000005660   -0.000041344
      6        6           0.000002469    0.000004386   -0.000034110
      7        6           0.000074101    0.000024808   -0.000026900
      8        7          -0.000049091   -0.000109508   -0.000026952
      9        6          -0.000057732   -0.000015708    0.000065419
     10        6           0.000194384   -0.000047006   -0.000153240
     11        8          -0.000075556    0.000137700    0.000142238
     12        7          -0.000183945   -0.000222474    0.000071823
     13        6          -0.000104126    0.000024734    0.000043364
     14        6          -0.000039284    0.000282285    0.000121167
     15        8           0.000203604   -0.000180502   -0.000053397
     16        7          -0.000109373    0.000018652    0.000027181
     17        6          -0.000035419   -0.000044706    0.000106861
     18        6           0.000035258   -0.000024045    0.000018947
     19        6           0.000008736    0.000011927    0.000005146
     20        6          -0.000005433   -0.000000767    0.000016574
     21        6           0.000020213    0.000000273   -0.000002684
     22        6          -0.000003613   -0.000015165    0.000001627
     23        6          -0.000027782    0.000018934    0.000000394
     24        6           0.000002655   -0.000019088   -0.000021818
     25        6           0.000101245    0.000085723   -0.000164554
     26        6           0.000118099   -0.000069580    0.000101533
     27        8          -0.000105756    0.000165881    0.000299037
     28        6           0.000006485    0.000114610    0.000214653
     29        6          -0.000080148   -0.000021986    0.000021610
     30        6           0.000048792   -0.000085666   -0.000041842
     31        6          -0.000067766    0.000040858    0.000023462
     32        6           0.000018719    0.000027844    0.000002305
     33        6          -0.000004932    0.000005334    0.000006719
     34        6           0.000020245   -0.000006583   -0.000014970
     35        6          -0.000037912    0.000000266    0.000018271
     36        7           0.000412542    0.000331086   -0.000191484
     37        6          -0.000217040   -0.000805592    0.000532009
     38        8          -0.000183599    0.000153621   -0.000250813
     39        8          -0.000230061   -0.000357588   -0.000155700
     40        6           0.000202966    0.000204825    0.000080042
     41        6          -0.000125879    0.000246248   -0.000168660
     42        6           0.000393964   -0.000123922   -0.000001071
     43        7          -0.000133870   -0.000181423    0.000066503
     44        6          -0.000098896   -0.000085890   -0.000093199
     45       16           0.000380689    0.000047768    0.000148012
     46        6           0.000025231    0.000223660   -0.000057996
     47        6           0.000108448    0.000198126   -0.000157550
     48        6          -0.000033207   -0.000060981    0.000012509
     49        6          -0.000101367   -0.000011809    0.000002059
     50       16           0.000047579   -0.000044863    0.000006457
     51        1           0.000026266    0.000004295    0.000000926
     52        1          -0.000007120    0.000019943   -0.000016530
     53        1          -0.000019061    0.000007066   -0.000027791
     54        1          -0.000021400   -0.000000005   -0.000006590
     55        1          -0.000030757    0.000010948   -0.000003289
     56        1          -0.000005666   -0.000009892   -0.000021099
     57        1           0.000000705    0.000008704   -0.000011865
     58        1           0.000093859   -0.000033626   -0.000043258
     59        1          -0.000028834   -0.000025222    0.000027198
     60        1           0.000003124    0.000009378   -0.000004996
     61        1          -0.000015623   -0.000000850    0.000035348
     62        1           0.000017277    0.000028991    0.000019144
     63        1          -0.000119670    0.000112473    0.000057776
     64        1           0.000070267    0.000037721    0.000007042
     65        1          -0.000026542    0.000084320    0.000000029
     66        1          -0.000041146    0.000017217   -0.000081536
     67        1          -0.000010838   -0.000011646   -0.000018721
     68        1           0.000010019   -0.000003211    0.000019423
     69        1          -0.000001710   -0.000004433   -0.000010042
     70        1          -0.000001318    0.000003884    0.000001775
     71        1           0.000002307   -0.000003565   -0.000000401
     72        1           0.000005949   -0.000000193   -0.000000951
     73        1           0.000003481   -0.000002393    0.000003505
     74        1          -0.000004956   -0.000008555   -0.000037635
     75        1           0.000005647    0.000069285    0.000035914
     76        1           0.000038665    0.000005945   -0.000010302
     77        1           0.000004815   -0.000063739   -0.000106411
     78        1          -0.000051547    0.000041337   -0.000039125
     79        1           0.000033853    0.000018237   -0.000018410
     80        1          -0.000017186    0.000031726    0.000043092
     81        1          -0.000027557   -0.000001732    0.000010027
     82        1           0.000006177   -0.000006238   -0.000007398
     83        1          -0.000009561   -0.000007074   -0.000002478
     84        1          -0.000006378   -0.000002963    0.000005113
     85        1           0.000017456    0.000009278    0.000001620
     86        1          -0.000050811    0.000050397   -0.000138752
     87        1          -0.000134233   -0.000133637   -0.000312839
     88        1           0.000034556    0.000017908    0.000083750
     89        1          -0.000082555    0.000143698   -0.000031706
     90        1          -0.000041322    0.000044190    0.000065820
     91        1           0.000110030    0.000046177   -0.000037780
     92        1          -0.000011483   -0.000160752   -0.000059330
     93        1          -0.000049060   -0.000079589   -0.000044705
     94        1          -0.000043841   -0.000056588    0.000055248
     95        1          -0.000001560   -0.000043209    0.000014994
     96        1          -0.000039688   -0.000000142   -0.000047413
     97        1           0.000014266   -0.000014129    0.000051826
     98        1           0.000005900   -0.000007887    0.000004224
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000805592 RMS     0.000109580

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000991530 RMS     0.000120955
 Search for a local minimum.
 Step number  60 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   56   57   58   59   60
 DE= -1.37D-05 DEPred=-2.09D-05 R= 6.57D-01
 SS=  1.41D+00  RLast= 6.54D-02 DXNew= 1.2520D+00 1.9620D-01
 Trust test= 6.57D-01 RLast= 6.54D-02 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00106   0.00166   0.00202   0.00243   0.00279
     Eigenvalues ---    0.00349   0.00390   0.00525   0.00606   0.00628
     Eigenvalues ---    0.00718   0.00783   0.00853   0.00912   0.00961
     Eigenvalues ---    0.00980   0.01095   0.01133   0.01183   0.01286
     Eigenvalues ---    0.01311   0.01372   0.01426   0.01442   0.01492
     Eigenvalues ---    0.01526   0.01606   0.01662   0.01749   0.01760
     Eigenvalues ---    0.01867   0.01927   0.02088   0.02097   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02230   0.02257   0.02268
     Eigenvalues ---    0.02290   0.02328   0.02372   0.02404   0.02408
     Eigenvalues ---    0.02414   0.02447   0.02477   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02603   0.02684   0.02697
     Eigenvalues ---    0.02824   0.02902   0.03173   0.03360   0.03803
     Eigenvalues ---    0.04010   0.04102   0.04150   0.04174   0.04318
     Eigenvalues ---    0.04551   0.04668   0.04911   0.04951   0.04994
     Eigenvalues ---    0.05107   0.05197   0.05219   0.05339   0.05395
     Eigenvalues ---    0.05443   0.05480   0.05504   0.05560   0.05589
     Eigenvalues ---    0.05611   0.05721   0.05770   0.05847   0.05853
     Eigenvalues ---    0.05873   0.05983   0.06005   0.06094   0.06246
     Eigenvalues ---    0.06492   0.06725   0.06897   0.07075   0.07123
     Eigenvalues ---    0.07521   0.07881   0.08360   0.08577   0.08791
     Eigenvalues ---    0.09372   0.09705   0.09866   0.10302   0.11246
     Eigenvalues ---    0.12088   0.12895   0.13119   0.13245   0.13457
     Eigenvalues ---    0.13818   0.13949   0.14427   0.15499   0.15679
     Eigenvalues ---    0.15728   0.15820   0.15945   0.15970   0.15982
     Eigenvalues ---    0.15986   0.15995   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16002   0.16002   0.16004   0.16009   0.16017
     Eigenvalues ---    0.16021   0.16046   0.16067   0.16089   0.16101
     Eigenvalues ---    0.16257   0.16267   0.16559   0.16881   0.17155
     Eigenvalues ---    0.17332   0.17788   0.17992   0.18610   0.18893
     Eigenvalues ---    0.19584   0.19910   0.20510   0.20858   0.21729
     Eigenvalues ---    0.21834   0.21927   0.22000   0.22000   0.22008
     Eigenvalues ---    0.22030   0.22345   0.22613   0.23043   0.23192
     Eigenvalues ---    0.23414   0.23497   0.23634   0.23735   0.24078
     Eigenvalues ---    0.24324   0.24662   0.24788   0.24984   0.25049
     Eigenvalues ---    0.25140   0.25289   0.25504   0.25600   0.26788
     Eigenvalues ---    0.27689   0.29061   0.29362   0.29526   0.29821
     Eigenvalues ---    0.29918   0.30084   0.30167   0.30391   0.30435
     Eigenvalues ---    0.30629   0.30741   0.30953   0.31354   0.31426
     Eigenvalues ---    0.31459   0.31500   0.31537   0.31662   0.31827
     Eigenvalues ---    0.31941   0.32000   0.32235   0.32306   0.32494
     Eigenvalues ---    0.32575   0.32674   0.32693   0.32792   0.32829
     Eigenvalues ---    0.32844   0.32925   0.32979   0.33016   0.33070
     Eigenvalues ---    0.33129   0.33187   0.33260   0.33507   0.33573
     Eigenvalues ---    0.33655   0.33679   0.33724   0.33903   0.33930
     Eigenvalues ---    0.33974   0.34033   0.34199   0.34245   0.34291
     Eigenvalues ---    0.34423   0.34489   0.34540   0.34624   0.34703
     Eigenvalues ---    0.35127   0.35390   0.36244   0.36311   0.36374
     Eigenvalues ---    0.36412   0.36630   0.36837   0.36945   0.37148
     Eigenvalues ---    0.37236   0.38486   0.39056   0.39380   0.40129
     Eigenvalues ---    0.40946   0.41718   0.42510   0.42554   0.42650
     Eigenvalues ---    0.43286   0.43422   0.43943   0.44625   0.45038
     Eigenvalues ---    0.45237   0.46954   0.47353   0.47726   0.48364
     Eigenvalues ---    0.48505   0.48669   0.48995   0.49409   0.49795
     Eigenvalues ---    0.50312   0.50884   0.51251   0.51342   0.51538
     Eigenvalues ---    0.56319   0.57619   0.58869   0.59548   0.62992
     Eigenvalues ---    0.64445   0.66267   0.76843   0.78929   0.84850
     Eigenvalues ---    1.28271   1.57666   2.781721000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    60   59   58   57   56
 RFO step:  Lambda=-9.82240988D-06.
 DIIS coeffs:      0.80782      0.26794     -0.08443     -0.01222      0.02090
 Iteration  1 RMS(Cart)=  0.01459446 RMS(Int)=  0.00002535
 Iteration  2 RMS(Cart)=  0.00006168 RMS(Int)=  0.00000027
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000027
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89469  -0.00003  -0.00002  -0.00004  -0.00007   2.89463
    R2        2.07184   0.00002  -0.00001   0.00005   0.00004   2.07188
    R3        2.07386   0.00001   0.00001   0.00001   0.00002   2.07387
    R4        2.07197  -0.00002  -0.00002  -0.00001  -0.00003   2.07195
    R5        2.89454  -0.00003  -0.00002   0.00002   0.00001   2.89455
    R6        2.82788  -0.00006  -0.00003  -0.00001  -0.00003   2.82785
    R7        2.13129   0.00001  -0.00002   0.00003   0.00001   2.13130
    R8        2.07211  -0.00002  -0.00002   0.00000  -0.00002   2.07209
    R9        2.07340   0.00002  -0.00001   0.00008   0.00007   2.07346
   R10        2.07201   0.00001  -0.00001   0.00003   0.00002   2.07203
   R11        2.47793  -0.00003   0.00001   0.00000   0.00001   2.47794
   R12        3.37354   0.00005  -0.00003  -0.00001  -0.00004   3.37350
   R13        2.68310   0.00003  -0.00007   0.00002  -0.00005   2.68305
   R14        2.84028  -0.00004  -0.00011   0.00008  -0.00003   2.84025
   R15        2.58075   0.00000   0.00001   0.00004   0.00005   2.58080
   R16        2.80651  -0.00007   0.00005  -0.00002   0.00003   2.80654
   R17        2.11750  -0.00010  -0.00001  -0.00017  -0.00018   2.11732
   R18        2.11825  -0.00003  -0.00003   0.00001  -0.00002   2.11823
   R19        2.81503  -0.00012  -0.00001   0.00006   0.00005   2.81508
   R20        2.68366  -0.00011   0.00019  -0.00022  -0.00003   2.68363
   R21        2.08281   0.00001   0.00003   0.00000   0.00003   2.08284
   R22        2.09190  -0.00002  -0.00001  -0.00002  -0.00004   2.09187
   R23        2.08283   0.00002  -0.00005   0.00010   0.00006   2.08289
   R24        2.31727  -0.00021  -0.00002  -0.00014  -0.00016   2.31711
   R25        2.69577   0.00006   0.00027  -0.00038  -0.00010   2.69567
   R26        2.79851  -0.00020   0.00026  -0.00099  -0.00073   2.79778
   R27        1.94686   0.00016   0.00013   0.00016   0.00029   1.94715
   R28        2.91808  -0.00015   0.00007  -0.00030  -0.00024   2.91785
   R29        2.94276  -0.00027  -0.00001  -0.00037  -0.00038   2.94238
   R30        2.13554   0.00001   0.00002  -0.00013  -0.00011   2.13543
   R31        2.32298  -0.00027   0.00000  -0.00008  -0.00008   2.32289
   R32        2.61945   0.00006  -0.00004   0.00000  -0.00004   2.61940
   R33        2.81464  -0.00009   0.00008  -0.00029  -0.00021   2.81443
   R34        1.92503  -0.00009   0.00003  -0.00014  -0.00011   1.92492
   R35        2.91923   0.00001  -0.00002   0.00006   0.00004   2.91927
   R36        2.91749  -0.00006   0.00002  -0.00021  -0.00018   2.91731
   R37        2.13439   0.00004   0.00003   0.00011   0.00013   2.13453
   R38        2.84166   0.00001   0.00000   0.00007   0.00007   2.84173
   R39        2.10401   0.00000   0.00002  -0.00005  -0.00003   2.10398
   R40        2.09803  -0.00002  -0.00001   0.00003   0.00002   2.09805
   R41        2.65348   0.00000   0.00000   0.00001   0.00001   2.65349
   R42        2.65206   0.00001  -0.00001   0.00001   0.00000   2.65206
   R43        2.64035   0.00001  -0.00001   0.00001  -0.00001   2.64035
   R44        2.05972   0.00000   0.00000   0.00000   0.00000   2.05972
   R45        2.64251   0.00002  -0.00001   0.00003   0.00003   2.64254
   R46        2.05894   0.00000   0.00000  -0.00001  -0.00001   2.05893
   R47        2.64262   0.00001  -0.00001   0.00002   0.00001   2.64263
   R48        2.05611   0.00000  -0.00001   0.00002   0.00001   2.05613
   R49        2.64084  -0.00001   0.00000   0.00002   0.00001   2.64085
   R50        2.05844   0.00000   0.00000  -0.00001  -0.00001   2.05843
   R51        2.05548   0.00000   0.00000  -0.00002  -0.00001   2.05547
   R52        2.89506  -0.00005  -0.00001   0.00001   0.00000   2.89506
   R53        2.10081  -0.00001   0.00008  -0.00033  -0.00025   2.10056
   R54        2.09254  -0.00003   0.00001   0.00007   0.00007   2.09262
   R55        2.72940   0.00006   0.00001  -0.00010  -0.00009   2.72931
   R56        2.94347  -0.00004   0.00000  -0.00016  -0.00015   2.94331
   R57        2.11786   0.00002   0.00001   0.00007   0.00008   2.11794
   R58        1.88304  -0.00004   0.00010   0.00008   0.00018   1.88322
   R59        2.90590   0.00003  -0.00015   0.00027   0.00012   2.90601
   R60        2.83096  -0.00056  -0.00013  -0.00026  -0.00040   2.83057
   R61        2.12428  -0.00003  -0.00004   0.00011   0.00007   2.12435
   R62        2.84148   0.00004   0.00001   0.00007   0.00008   2.84156
   R63        2.11243   0.00003  -0.00007   0.00013   0.00007   2.11250
   R64        2.09834  -0.00006   0.00004  -0.00002   0.00002   2.09836
   R65        2.65185   0.00009  -0.00002   0.00009   0.00006   2.65192
   R66        2.65153   0.00000   0.00000   0.00004   0.00004   2.65156
   R67        2.63953  -0.00002  -0.00002   0.00006   0.00004   2.63957
   R68        2.06113  -0.00001   0.00004  -0.00011  -0.00007   2.06106
   R69        2.64372   0.00001   0.00000  -0.00003  -0.00003   2.64369
   R70        2.05751  -0.00001   0.00000  -0.00003  -0.00003   2.05748
   R71        2.64220   0.00001  -0.00002   0.00007   0.00005   2.64225
   R72        2.05503   0.00001  -0.00001   0.00003   0.00002   2.05506
   R73        2.64140  -0.00001   0.00000  -0.00007  -0.00007   2.64133
   R74        2.05682   0.00000   0.00000   0.00001   0.00000   2.05682
   R75        2.05368   0.00000   0.00000   0.00000   0.00000   2.05367
   R76        2.64052  -0.00086  -0.00016  -0.00012  -0.00028   2.64024
   R77        1.94677  -0.00015  -0.00004  -0.00003  -0.00006   1.94671
   R78        2.30672   0.00031   0.00004   0.00010   0.00014   2.30686
   R79        2.62600  -0.00026   0.00008  -0.00055  -0.00047   2.62553
   R80        2.76543   0.00031   0.00005   0.00043   0.00048   2.76591
   R81        2.78905   0.00024   0.00008   0.00031   0.00039   2.78944
   R82        2.09680  -0.00035   0.00008  -0.00105  -0.00097   2.09583
   R83        2.09617  -0.00003   0.00006  -0.00004   0.00002   2.09620
   R84        2.58555   0.00021  -0.00004   0.00057   0.00052   2.58608
   R85        3.30664  -0.00013   0.00020  -0.00137  -0.00117   3.30547
   R86        2.66538  -0.00010   0.00002  -0.00042  -0.00040   2.66498
   R87        2.04975  -0.00003   0.00001  -0.00012  -0.00011   2.04964
   R88        2.49610  -0.00004   0.00003   0.00026   0.00029   2.49639
   R89        3.32501  -0.00021  -0.00007  -0.00055  -0.00061   3.32440
   R90        2.05322  -0.00008   0.00003  -0.00007  -0.00005   2.05318
   R91        2.89009  -0.00018  -0.00014  -0.00008  -0.00022   2.88987
   R92        2.89195   0.00013  -0.00012   0.00050   0.00038   2.89233
   R93        2.12168   0.00009  -0.00006   0.00029   0.00023   2.12192
   R94        2.07704  -0.00016  -0.00007  -0.00005  -0.00011   2.07693
   R95        2.08516   0.00006   0.00005  -0.00006  -0.00001   2.08515
   R96        2.07163   0.00007   0.00004  -0.00005   0.00000   2.07163
   R97        2.07484   0.00003  -0.00003   0.00019   0.00016   2.07500
   R98        2.07998   0.00005  -0.00004   0.00020   0.00016   2.08014
   R99        2.06933  -0.00002  -0.00001   0.00004   0.00003   2.06936
   R100       3.28001   0.00004  -0.00009   0.00009   0.00000   3.28001
   R101       2.03831   0.00000   0.00001  -0.00005  -0.00003   2.03827
    A1        1.93471   0.00001   0.00001  -0.00001   0.00000   1.93472
    A2        1.94479  -0.00002   0.00000  -0.00009  -0.00009   1.94470
    A3        1.96121  -0.00002  -0.00003  -0.00002  -0.00005   1.96116
    A4        1.87381   0.00001  -0.00003   0.00009   0.00006   1.87387
    A5        1.87010   0.00001   0.00007  -0.00005   0.00002   1.87013
    A6        1.87502   0.00002  -0.00001   0.00008   0.00007   1.87509
    A7        1.95140   0.00002   0.00001   0.00002   0.00003   1.95143
    A8        1.92596   0.00001  -0.00007   0.00012   0.00005   1.92601
    A9        1.88875   0.00000   0.00006   0.00003   0.00009   1.88884
   A10        1.92721  -0.00004  -0.00006  -0.00009  -0.00015   1.92706
   A11        1.88914   0.00001   0.00001   0.00005   0.00006   1.88920
   A12        1.87912   0.00001   0.00006  -0.00013  -0.00007   1.87906
   A13        1.96137  -0.00003  -0.00004  -0.00003  -0.00007   1.96130
   A14        1.94512   0.00000  -0.00003   0.00000  -0.00003   1.94510
   A15        1.93455   0.00001   0.00000   0.00006   0.00006   1.93461
   A16        1.87501   0.00001   0.00003  -0.00007  -0.00003   1.87498
   A17        1.86938   0.00002   0.00005   0.00004   0.00009   1.86947
   A18        1.87419   0.00000  -0.00001   0.00000  -0.00001   1.87418
   A19        2.20964   0.00000   0.00000  -0.00004  -0.00004   2.20960
   A20        2.11713   0.00000  -0.00003   0.00015   0.00012   2.11725
   A21        1.95642   0.00001   0.00003  -0.00012  -0.00008   1.95634
   A22        1.96138  -0.00001  -0.00006   0.00012   0.00006   1.96143
   A23        2.04885   0.00003  -0.00001   0.00044   0.00043   2.04928
   A24        2.01089   0.00003   0.00004  -0.00001   0.00003   2.01092
   A25        2.22342  -0.00006  -0.00003  -0.00043  -0.00046   2.22296
   A26        1.98151  -0.00005   0.00027  -0.00092  -0.00065   1.98086
   A27        1.92034  -0.00001  -0.00017   0.00024   0.00007   1.92041
   A28        1.92100   0.00003  -0.00010   0.00058   0.00048   1.92148
   A29        1.92244   0.00002   0.00012  -0.00044  -0.00032   1.92212
   A30        1.87875   0.00002  -0.00023   0.00055   0.00032   1.87908
   A31        1.83357   0.00000   0.00010   0.00007   0.00017   1.83374
   A32        1.98702  -0.00014  -0.00060   0.00048  -0.00012   1.98689
   A33        2.11552   0.00008  -0.00031  -0.00018  -0.00049   2.11503
   A34        2.00744   0.00004  -0.00050   0.00069   0.00019   2.00763
   A35        1.89629   0.00001  -0.00008  -0.00002  -0.00009   1.89620
   A36        1.92297  -0.00004  -0.00011   0.00021   0.00010   1.92307
   A37        1.96655  -0.00001   0.00010  -0.00004   0.00006   1.96661
   A38        1.88984   0.00002  -0.00009   0.00015   0.00006   1.88990
   A39        1.89885  -0.00001   0.00006  -0.00030  -0.00024   1.89861
   A40        1.88780   0.00003   0.00011  -0.00001   0.00011   1.88791
   A41        2.12838  -0.00005  -0.00011   0.00029   0.00018   2.12856
   A42        2.05086   0.00014   0.00014  -0.00016  -0.00002   2.05083
   A43        2.10326  -0.00009  -0.00001  -0.00017  -0.00019   2.10307
   A44        2.02698  -0.00017  -0.00017  -0.00012  -0.00030   2.02668
   A45        2.06510   0.00006  -0.00023   0.00048   0.00025   2.06535
   A46        1.98792   0.00010  -0.00003   0.00042   0.00040   1.98832
   A47        1.92557   0.00004   0.00046  -0.00056  -0.00010   1.92547
   A48        1.90685  -0.00004  -0.00008  -0.00054  -0.00062   1.90623
   A49        1.87355  -0.00004  -0.00009  -0.00032  -0.00041   1.87314
   A50        1.94146  -0.00008  -0.00006   0.00027   0.00021   1.94167
   A51        1.91393   0.00008  -0.00017   0.00079   0.00062   1.91455
   A52        1.90106   0.00004  -0.00006   0.00034   0.00028   1.90134
   A53        2.14730  -0.00013   0.00016  -0.00007   0.00009   2.14740
   A54        2.02076   0.00014  -0.00007   0.00003  -0.00004   2.02072
   A55        2.11507  -0.00001  -0.00009   0.00003  -0.00006   2.11501
   A56        2.12358  -0.00013  -0.00012   0.00057   0.00045   2.12404
   A57        2.12146   0.00006  -0.00001  -0.00015  -0.00016   2.12130
   A58        2.03532   0.00008   0.00011  -0.00029  -0.00018   2.03514
   A59        1.91395   0.00010   0.00011  -0.00028  -0.00018   1.91377
   A60        1.92785   0.00000  -0.00012   0.00018   0.00006   1.92790
   A61        1.87567  -0.00008  -0.00011   0.00048   0.00037   1.87605
   A62        1.96096  -0.00007   0.00020  -0.00067  -0.00047   1.96050
   A63        1.88547   0.00000  -0.00011   0.00024   0.00013   1.88560
   A64        1.89741   0.00004   0.00002   0.00011   0.00013   1.89753
   A65        1.99614   0.00002  -0.00001   0.00004   0.00003   1.99617
   A66        1.89487   0.00001  -0.00002   0.00030   0.00028   1.89515
   A67        1.89936  -0.00001  -0.00001  -0.00011  -0.00012   1.89924
   A68        1.91837  -0.00001   0.00003  -0.00015  -0.00012   1.91825
   A69        1.92263  -0.00001   0.00001  -0.00004  -0.00003   1.92260
   A70        1.82438   0.00000   0.00001  -0.00005  -0.00004   1.82433
   A71        2.09372   0.00002  -0.00002   0.00011   0.00009   2.09381
   A72        2.10402  -0.00001   0.00003  -0.00008  -0.00006   2.10396
   A73        2.08542  -0.00001   0.00000  -0.00003  -0.00003   2.08538
   A74        2.09688   0.00001   0.00000   0.00002   0.00003   2.09691
   A75        2.09722   0.00000   0.00000  -0.00001  -0.00001   2.09721
   A76        2.08899  -0.00001   0.00000  -0.00002  -0.00002   2.08897
   A77        2.09863   0.00000   0.00000   0.00000   0.00000   2.09862
   A78        2.09064   0.00000   0.00000   0.00001   0.00001   2.09065
   A79        2.09391   0.00001   0.00000   0.00000   0.00000   2.09391
   A80        2.08981   0.00000   0.00000  -0.00001  -0.00001   2.08979
   A81        2.09676   0.00000   0.00000  -0.00002  -0.00002   2.09674
   A82        2.09660   0.00000   0.00000   0.00004   0.00004   2.09664
   A83        2.09921   0.00000   0.00000   0.00000   0.00000   2.09921
   A84        2.09294  -0.00001   0.00000  -0.00001  -0.00001   2.09292
   A85        2.09104   0.00000   0.00000   0.00001   0.00001   2.09105
   A86        2.09638   0.00001   0.00000   0.00002   0.00002   2.09640
   A87        2.09769   0.00000   0.00001   0.00000   0.00001   2.09770
   A88        2.08910  -0.00001  -0.00001  -0.00002  -0.00003   2.08907
   A89        1.94275  -0.00012  -0.00016   0.00087   0.00071   1.94346
   A90        1.93126   0.00012   0.00008  -0.00009  -0.00002   1.93125
   A91        1.91126  -0.00005   0.00020  -0.00077  -0.00057   1.91069
   A92        1.89890  -0.00007  -0.00016   0.00036   0.00021   1.89910
   A93        1.93815   0.00013   0.00025  -0.00092  -0.00068   1.93747
   A94        1.83892  -0.00001  -0.00021   0.00053   0.00032   1.83924
   A95        1.88133   0.00009  -0.00005   0.00124   0.00119   1.88252
   A96        2.00564   0.00033   0.00008   0.00004   0.00013   2.00577
   A97        1.93826  -0.00015   0.00006  -0.00054  -0.00048   1.93777
   A98        1.79825  -0.00018   0.00017  -0.00146  -0.00130   1.79695
   A99        1.90494   0.00002  -0.00010   0.00006  -0.00004   1.90491
   A100       1.92772  -0.00011  -0.00015   0.00063   0.00047   1.92819
   A101       1.92123  -0.00008  -0.00005  -0.00018  -0.00023   1.92099
   A102       1.94619   0.00018  -0.00007   0.00117   0.00110   1.94728
   A103       1.89261  -0.00062  -0.00026   0.00021  -0.00005   1.89256
   A104       1.90747   0.00023   0.00010  -0.00052  -0.00042   1.90704
   A105       1.94682   0.00029   0.00013  -0.00081  -0.00068   1.94614
   A106       1.92077  -0.00021   0.00004  -0.00001   0.00002   1.92079
   A107       1.84696   0.00012   0.00007  -0.00010  -0.00003   1.84693
   A108       1.94847   0.00002   0.00001   0.00007   0.00007   1.94854
   A109       1.91871  -0.00001  -0.00005   0.00004  -0.00001   1.91870
   A110       1.91151  -0.00001  -0.00009  -0.00002  -0.00012   1.91140
   A111       1.92339   0.00003   0.00000   0.00035   0.00035   1.92374
   A112       1.92574  -0.00003   0.00003  -0.00044  -0.00041   1.92532
   A113       1.83258   0.00000   0.00011   0.00001   0.00012   1.83270
   A114       2.09358   0.00008   0.00005   0.00013   0.00019   2.09377
   A115       2.10004  -0.00004  -0.00004  -0.00006  -0.00010   2.09994
   A116       2.08957  -0.00004  -0.00001  -0.00008  -0.00009   2.08948
   A117       2.09472   0.00001   0.00001   0.00003   0.00004   2.09476
   A118       2.08912   0.00002  -0.00003   0.00015   0.00013   2.08925
   A119       2.09931  -0.00003   0.00002  -0.00019  -0.00017   2.09915
   A120       2.09830   0.00000   0.00000  -0.00001  -0.00001   2.09830
   A121       2.09129   0.00000   0.00001  -0.00003  -0.00002   2.09127
   A122       2.09359   0.00000  -0.00001   0.00004   0.00003   2.09362
   A123       2.09115   0.00000   0.00000  -0.00001  -0.00001   2.09114
   A124       2.09565   0.00001  -0.00001   0.00006   0.00006   2.09570
   A125       2.09639  -0.00001   0.00001  -0.00006  -0.00004   2.09634
   A126       2.09865   0.00000   0.00000   0.00001   0.00001   2.09866
   A127       2.09331  -0.00001   0.00001  -0.00007  -0.00006   2.09325
   A128       2.09123   0.00000  -0.00001   0.00005   0.00005   2.09128
   A129       2.09397   0.00002   0.00001   0.00005   0.00006   2.09403
   A130       2.09888  -0.00003   0.00002  -0.00019  -0.00017   2.09871
   A131       2.09034   0.00001  -0.00003   0.00014   0.00011   2.09045
   A132       2.06403  -0.00082  -0.00011  -0.00120  -0.00131   2.06272
   A133       1.97544   0.00028  -0.00016   0.00011  -0.00005   1.97539
   A134       2.02103   0.00023  -0.00011  -0.00005  -0.00016   2.02087
   A135       2.24874  -0.00006  -0.00008  -0.00043  -0.00051   2.24823
   A136       1.90674  -0.00006   0.00004   0.00018   0.00022   1.90696
   A137       2.12685   0.00014   0.00006   0.00027   0.00033   2.12718
   A138       2.01935   0.00020   0.00014   0.00027   0.00041   2.01976
   A139       1.92329  -0.00016   0.00013   0.00093   0.00105   1.92434
   A140       1.75936  -0.00006   0.00001  -0.00063  -0.00062   1.75874
   A141       1.88934   0.00009   0.00007   0.00011   0.00018   1.88952
   A142       1.98291  -0.00014  -0.00006  -0.00018  -0.00023   1.98268
   A143       1.96714   0.00028   0.00000   0.00004   0.00004   1.96718
   A144       1.92888  -0.00005  -0.00014  -0.00029  -0.00043   1.92845
   A145       2.27614  -0.00008   0.00022  -0.00117  -0.00095   2.27519
   A146       2.09259   0.00021  -0.00014   0.00101   0.00087   2.09346
   A147       1.91435  -0.00013  -0.00007   0.00013   0.00006   1.91441
   A148       2.01277  -0.00001   0.00007  -0.00036  -0.00030   2.01248
   A149       2.21956  -0.00004  -0.00005  -0.00016  -0.00020   2.21936
   A150       2.05084   0.00005  -0.00002   0.00051   0.00049   2.05133
   A151       1.94610   0.00006  -0.00001   0.00009   0.00007   1.94618
   A152       1.98176  -0.00005   0.00003  -0.00024  -0.00021   1.98155
   A153       2.18245   0.00003   0.00003  -0.00010  -0.00007   2.18238
   A154       2.11827   0.00003  -0.00001   0.00023   0.00022   2.11849
   A155       1.56951   0.00014   0.00002   0.00027   0.00029   1.56980
   A156       1.96645  -0.00017  -0.00004  -0.00028  -0.00032   1.96613
   A157       1.92352   0.00012   0.00004   0.00015   0.00019   1.92371
   A158       1.85701   0.00000   0.00009  -0.00043  -0.00034   1.85667
   A159       1.93456  -0.00001   0.00000  -0.00038  -0.00038   1.93418
   A160       1.88782   0.00009  -0.00006   0.00047   0.00040   1.88822
   A161       1.89103  -0.00002  -0.00002   0.00052   0.00050   1.89153
   A162       1.95723  -0.00006  -0.00013   0.00033   0.00019   1.95742
   A163       1.96370  -0.00010   0.00001  -0.00053  -0.00052   1.96318
   A164       1.94167   0.00003  -0.00005  -0.00029  -0.00035   1.94132
   A165       1.85273   0.00008   0.00011   0.00008   0.00018   1.85292
   A166       1.86698   0.00005   0.00012   0.00071   0.00083   1.86781
   A167       1.87571   0.00001  -0.00003  -0.00024  -0.00027   1.87544
   A168       1.93242   0.00004   0.00000   0.00021   0.00021   1.93264
   A169       1.96597  -0.00001   0.00004  -0.00011  -0.00007   1.96591
   A170       1.96033   0.00001  -0.00006   0.00010   0.00004   1.96037
   A171       1.85348   0.00000   0.00004  -0.00008  -0.00004   1.85344
   A172       1.86299  -0.00004   0.00002  -0.00022  -0.00020   1.86279
   A173       1.88249   0.00000  -0.00004   0.00007   0.00004   1.88252
   A174       1.91635  -0.00002   0.00000  -0.00009  -0.00009   1.91626
   A175       2.23770   0.00002  -0.00018   0.00019   0.00001   2.23771
   A176       2.12911   0.00000   0.00018  -0.00010   0.00008   2.12919
   A177       1.57972   0.00000  -0.00001   0.00010   0.00009   1.57981
    D1        1.09723   0.00001   0.00102  -0.00254  -0.00152   1.09571
    D2       -3.03372  -0.00002   0.00089  -0.00255  -0.00166  -3.03538
    D3       -0.98175  -0.00001   0.00096  -0.00262  -0.00166  -0.98342
    D4       -3.10019   0.00001   0.00098  -0.00249  -0.00151  -3.10170
    D5       -0.94796  -0.00002   0.00085  -0.00250  -0.00165  -0.94960
    D6        1.10401  -0.00001   0.00093  -0.00258  -0.00165   1.10236
    D7       -0.99479   0.00001   0.00094  -0.00246  -0.00152  -0.99631
    D8        1.15745  -0.00003   0.00081  -0.00247  -0.00166   1.15579
    D9       -3.07378  -0.00001   0.00089  -0.00255  -0.00166  -3.07544
   D10        1.00515   0.00000   0.00077  -0.00080  -0.00003   1.00511
   D11        3.11088  -0.00001   0.00077  -0.00091  -0.00014   3.11073
   D12       -1.08595  -0.00001   0.00073  -0.00087  -0.00014  -1.08609
   D13       -1.14638   0.00001   0.00090  -0.00091  -0.00001  -1.14639
   D14        0.95935  -0.00001   0.00090  -0.00101  -0.00011   0.95923
   D15        3.04570   0.00000   0.00086  -0.00097  -0.00011   3.04559
   D16        3.08390   0.00001   0.00085  -0.00073   0.00012   3.08402
   D17       -1.09356   0.00000   0.00085  -0.00083   0.00002  -1.09354
   D18        0.99280   0.00000   0.00081  -0.00079   0.00002   0.99282
   D19        2.05709   0.00000  -0.00099   0.00184   0.00086   2.05794
   D20       -1.08530  -0.00001  -0.00163   0.00265   0.00102  -1.08428
   D21       -2.05986   0.00001  -0.00107   0.00189   0.00082  -2.05905
   D22        1.08094  -0.00001  -0.00172   0.00270   0.00098   1.08192
   D23       -0.00080   0.00000  -0.00106   0.00182   0.00077  -0.00004
   D24        3.14000  -0.00002  -0.00170   0.00263   0.00093   3.14093
   D25       -3.13812   0.00000  -0.00015   0.00029   0.00014  -3.13798
   D26        0.00421   0.00002   0.00045  -0.00046  -0.00001   0.00420
   D27        3.13893   0.00000   0.00000   0.00006   0.00006   3.13899
   D28       -0.00335  -0.00002  -0.00055   0.00076   0.00020  -0.00315
   D29        3.13092  -0.00002  -0.00005  -0.00019  -0.00024   3.13068
   D30       -0.00319  -0.00001  -0.00006  -0.00021  -0.00027  -0.00346
   D31        1.98037  -0.00001   0.00238  -0.01212  -0.00975   1.97063
   D32       -2.13932  -0.00002   0.00260  -0.01319  -0.01059  -2.14991
   D33       -0.12681  -0.00001   0.00256  -0.01263  -0.01007  -0.13688
   D34       -1.16974  -0.00001   0.00240  -0.01211  -0.00971  -1.17945
   D35        0.99375  -0.00003   0.00262  -0.01317  -0.01055   0.98320
   D36        3.00626  -0.00002   0.00258  -0.01261  -0.01003   2.99623
   D37        0.00056   0.00000  -0.00036   0.00078   0.00042   0.00097
   D38       -3.13351   0.00000  -0.00022   0.00066   0.00044  -3.13307
   D39       -3.13267   0.00000  -0.00038   0.00076   0.00038  -3.13229
   D40        0.01645   0.00001  -0.00024   0.00064   0.00040   0.01685
   D41       -1.22776   0.00001   0.00196  -0.00233  -0.00037  -1.22813
   D42        1.28455  -0.00001  -0.00051  -0.00047  -0.00098   1.28357
   D43        2.89307   0.00004   0.00189  -0.00163   0.00026   2.89333
   D44       -0.87781   0.00002  -0.00058   0.00023  -0.00035  -0.87815
   D45        0.90305   0.00002   0.00184  -0.00179   0.00005   0.90310
   D46       -2.86783   0.00000  -0.00063   0.00007  -0.00056  -2.86839
   D47       -1.16564  -0.00001  -0.00229   0.00167  -0.00061  -1.16625
   D48        3.04984  -0.00001  -0.00207   0.00137  -0.00069   3.04914
   D49        0.93982  -0.00002  -0.00220   0.00126  -0.00094   0.93887
   D50        2.56492  -0.00001  -0.00006   0.00026   0.00020   2.56512
   D51        0.49721  -0.00001   0.00016  -0.00004   0.00012   0.49733
   D52       -1.61280  -0.00001   0.00003  -0.00016  -0.00013  -1.61294
   D53       -2.77532   0.00011   0.00242   0.00041   0.00283  -2.77249
   D54        0.40615   0.00015   0.00217   0.00150   0.00366   0.40982
   D55       -0.26981   0.00002  -0.00010   0.00221   0.00211  -0.26771
   D56        2.91165   0.00007  -0.00036   0.00330   0.00294   2.91460
   D57        2.83153   0.00008   0.00179  -0.00025   0.00155   2.83308
   D58        0.37069   0.00006   0.00242  -0.00153   0.00089   0.37158
   D59       -0.27079   0.00012   0.00155   0.00081   0.00236  -0.26843
   D60       -2.73163   0.00010   0.00218  -0.00047   0.00171  -2.72993
   D61       -1.41270  -0.00008   0.00156  -0.00002   0.00154  -1.41116
   D62        2.73094   0.00002   0.00139   0.00036   0.00175   2.73269
   D63        0.67201   0.00002   0.00156   0.00042   0.00198   0.67399
   D64        1.07787  -0.00006   0.00088   0.00124   0.00212   1.07999
   D65       -1.06167   0.00004   0.00071   0.00162   0.00234  -1.05934
   D66       -3.12060   0.00003   0.00088   0.00169   0.00257  -3.11804
   D67       -0.60167   0.00004  -0.00111  -0.00013  -0.00124  -0.60291
   D68        2.55118   0.00006  -0.00065   0.00029  -0.00035   2.55083
   D69        1.51745  -0.00004  -0.00094  -0.00100  -0.00195   1.51550
   D70       -1.61289  -0.00002  -0.00048  -0.00058  -0.00106  -1.61395
   D71       -2.66174   0.00002  -0.00117   0.00012  -0.00105  -2.66279
   D72        0.49111   0.00003  -0.00071   0.00055  -0.00016   0.49095
   D73        1.16318   0.00007   0.00030   0.00426   0.00456   1.16774
   D74       -2.94922   0.00002   0.00030   0.00366   0.00396  -2.94526
   D75       -0.90268   0.00005   0.00035   0.00411   0.00446  -0.89822
   D76       -0.96683   0.00010  -0.00018   0.00514   0.00497  -0.96187
   D77        1.20396   0.00005  -0.00018   0.00455   0.00437   1.20832
   D78       -3.03269   0.00008  -0.00013   0.00500   0.00487  -3.02783
   D79       -3.07840   0.00002   0.00011   0.00376   0.00387  -3.07453
   D80       -0.90761  -0.00003   0.00011   0.00317   0.00328  -0.90433
   D81        1.13893   0.00000   0.00016   0.00362   0.00378   1.14270
   D82        3.11624  -0.00007  -0.00075   0.00023  -0.00052   3.11573
   D83        0.05807  -0.00007  -0.00048  -0.00173  -0.00222   0.05586
   D84       -0.01432  -0.00005  -0.00030   0.00065   0.00035  -0.01397
   D85       -3.07249  -0.00005  -0.00003  -0.00132  -0.00135  -3.07383
   D86        2.50352  -0.00002   0.00077  -0.00241  -0.00165   2.50187
   D87       -1.60921  -0.00004   0.00101  -0.00334  -0.00233  -1.61154
   D88        0.45811  -0.00004   0.00090  -0.00282  -0.00192   0.45620
   D89       -0.71758  -0.00002   0.00050  -0.00053  -0.00003  -0.71761
   D90        1.45287  -0.00004   0.00075  -0.00146  -0.00071   1.45216
   D91       -2.76299  -0.00004   0.00064  -0.00094  -0.00030  -2.76329
   D92        1.04445   0.00003   0.00057  -0.00101  -0.00044   1.04402
   D93       -1.10468   0.00002   0.00057  -0.00108  -0.00051  -1.10520
   D94       -3.08060   0.00002   0.00057  -0.00112  -0.00055  -3.08114
   D95       -1.10661   0.00000   0.00051  -0.00057  -0.00005  -1.10666
   D96        3.02744  -0.00001   0.00051  -0.00064  -0.00013   3.02731
   D97        1.05153  -0.00001   0.00051  -0.00068  -0.00016   1.05136
   D98        3.08371  -0.00001   0.00044  -0.00046  -0.00001   3.08369
   D99        0.93457  -0.00002   0.00044  -0.00053  -0.00009   0.93448
   D100      -1.04134  -0.00002   0.00044  -0.00057  -0.00012  -1.04146
   D101       1.21003  -0.00021   0.00083  -0.00366  -0.00283   1.20720
   D102      -0.90376  -0.00013   0.00109  -0.00465  -0.00356  -0.90732
   D103      -2.92337  -0.00016   0.00118  -0.00479  -0.00360  -2.92697
   D104      -2.92991  -0.00013   0.00102  -0.00437  -0.00335  -2.93325
   D105       1.23949  -0.00005   0.00128  -0.00536  -0.00408   1.23541
   D106      -0.78011  -0.00008   0.00137  -0.00550  -0.00412  -0.78424
   D107      -0.84398  -0.00014   0.00102  -0.00441  -0.00339  -0.84737
   D108      -2.95777  -0.00006   0.00128  -0.00540  -0.00412  -2.96189
   D109       1.30581  -0.00009   0.00137  -0.00554  -0.00417   1.30164
   D110      -1.65138   0.00000  -0.00022   0.00147   0.00126  -1.65013
   D111       1.49843   0.00000  -0.00024   0.00172   0.00148   1.49991
   D112       0.48501   0.00002  -0.00024   0.00179   0.00155   0.48657
   D113      -2.64836   0.00002  -0.00026   0.00203   0.00177  -2.64658
   D114       2.48621   0.00000  -0.00020   0.00162   0.00141   2.48763
   D115      -0.64716   0.00001  -0.00023   0.00186   0.00164  -0.64552
   D116       3.14042   0.00000  -0.00002   0.00008   0.00006   3.14049
   D117      -0.01590   0.00000  -0.00003  -0.00011  -0.00013  -0.01603
   D118      -0.00930   0.00000   0.00000  -0.00016  -0.00016  -0.00946
   D119       3.11756  -0.00001  -0.00001  -0.00035  -0.00035   3.11721
   D120      -3.13973   0.00000   0.00003  -0.00015  -0.00012  -3.13985
   D121       0.00819   0.00000   0.00006  -0.00027  -0.00021   0.00798
   D122       0.01004   0.00000   0.00001   0.00010   0.00010   0.01015
   D123      -3.12522   0.00000   0.00003  -0.00002   0.00001  -3.12521
   D124       0.00152   0.00000  -0.00001   0.00011   0.00010   0.00162
   D125       3.13855   0.00000  -0.00001   0.00003   0.00002   3.13857
   D126      -3.12541   0.00001   0.00000   0.00030   0.00030  -3.12512
   D127       0.01162   0.00000   0.00000   0.00021   0.00022   0.01183
   D128       0.00557   0.00000   0.00001   0.00001   0.00001   0.00558
   D129      -3.14150   0.00000   0.00000  -0.00005  -0.00005  -3.14155
   D130      -3.13145   0.00000   0.00000   0.00009   0.00009  -3.13136
   D131       0.00466   0.00000  -0.00001   0.00003   0.00003   0.00469
   D132      -0.00482   0.00000   0.00000  -0.00007  -0.00007  -0.00489
   D133       3.13426   0.00000  -0.00001  -0.00006  -0.00006   3.13419
   D134      -3.14094   0.00000   0.00001  -0.00002  -0.00001  -3.14094
   D135      -0.00186   0.00000   0.00000   0.00000   0.00000  -0.00186
   D136      -0.00301   0.00000  -0.00001   0.00002   0.00001  -0.00300
   D137       3.13228   0.00000  -0.00004   0.00014   0.00010   3.13238
   D138       3.14109   0.00000   0.00000   0.00000   0.00000   3.14110
   D139      -0.00680   0.00000  -0.00003   0.00012   0.00009  -0.00670
   D140      -1.80796  -0.00010  -0.00138   0.00039  -0.00099  -1.80895
   D141       2.48177  -0.00011  -0.00160   0.00136  -0.00023   2.48154
   D142       0.27792  -0.00010  -0.00150   0.00093  -0.00058   0.27735
   D143       0.32466  -0.00007  -0.00150   0.00108  -0.00042   0.32424
   D144      -1.66880  -0.00008  -0.00171   0.00205   0.00034  -1.66846
   D145       2.41054  -0.00007  -0.00162   0.00162   0.00000   2.41054
   D146       2.34089  -0.00004  -0.00170   0.00142  -0.00028   2.34061
   D147       0.34743  -0.00006  -0.00192   0.00240   0.00048   0.34791
   D148      -1.85642  -0.00005  -0.00182   0.00196   0.00014  -1.85628
   D149       1.74169  -0.00021   0.00020  -0.00875  -0.00855   1.73314
   D150      -2.41397   0.00011   0.00036  -0.00888  -0.00852  -2.42249
   D151      -0.36521  -0.00009   0.00022  -0.00888  -0.00866  -0.37386
   D152      -1.05059   0.00004  -0.00135   0.00545   0.00410  -1.04649
   D153       3.08247  -0.00001  -0.00129   0.00556   0.00427   3.08675
   D154       1.07690   0.00006  -0.00128   0.00584   0.00456   1.08146
   D155      -3.09190  -0.00011  -0.00143   0.00486   0.00343  -3.08847
   D156       1.04117  -0.00016  -0.00137   0.00497   0.00360   1.04477
   D157      -0.96441  -0.00010  -0.00136   0.00525   0.00389  -0.96052
   D158       1.15867   0.00000  -0.00134   0.00529   0.00395   1.16262
   D159      -0.99145  -0.00005  -0.00128   0.00540   0.00412  -0.98733
   D160      -2.99703   0.00002  -0.00127   0.00568   0.00441  -2.99262
   D161       2.97736   0.00021   0.00003  -0.00170  -0.00168   2.97568
   D162      -1.16570   0.00026   0.00000  -0.00118  -0.00119  -1.16688
   D163       0.83928   0.00024   0.00005  -0.00117  -0.00112   0.83816
   D164      -1.18691  -0.00026  -0.00026  -0.00119  -0.00145  -1.18836
   D165       0.95322  -0.00021  -0.00029  -0.00067  -0.00096   0.95226
   D166       2.95820  -0.00022  -0.00024  -0.00065  -0.00089   2.95731
   D167       0.85758  -0.00007  -0.00008  -0.00181  -0.00189   0.85569
   D168       2.99771  -0.00002  -0.00011  -0.00129  -0.00140   2.99631
   D169      -1.28050  -0.00003  -0.00005  -0.00128  -0.00133  -1.28183
   D170       1.07067  -0.00034   0.00021  -0.00232  -0.00211   1.06855
   D171      -1.37536  -0.00003   0.00076  -0.00081  -0.00005  -1.37541
   D172      -1.07907  -0.00033   0.00039  -0.00340  -0.00301  -1.08208
   D173       2.75809  -0.00002   0.00094  -0.00189  -0.00095   2.75714
   D174       3.11544  -0.00031   0.00023  -0.00288  -0.00265   3.11279
   D175       0.66941   0.00000   0.00078  -0.00136  -0.00058   0.66883
   D176       1.65768   0.00003   0.00022   0.00060   0.00082   1.65850
   D177      -1.48588   0.00002   0.00021   0.00046   0.00067  -1.48521
   D178      -0.47977   0.00000   0.00028   0.00026   0.00054  -0.47923
   D179       2.65985   0.00000   0.00027   0.00012   0.00039   2.66024
   D180      -2.49560   0.00001   0.00013   0.00031   0.00044  -2.49517
   D181       0.64403   0.00000   0.00012   0.00016   0.00028   0.64431
   D182       3.13682  -0.00001   0.00001  -0.00033  -0.00033   3.13649
   D183      -0.01240   0.00000  -0.00001  -0.00046  -0.00048  -0.01288
   D184      -0.00282   0.00000   0.00001  -0.00019  -0.00017  -0.00299
   D185       3.13115   0.00000  -0.00001  -0.00032  -0.00033   3.13082
   D186      -3.13641   0.00001   0.00000   0.00028   0.00028  -3.13612
   D187       0.00546   0.00001   0.00000   0.00034   0.00034   0.00580
   D188       0.00323   0.00000  -0.00001   0.00014   0.00013   0.00336
   D189      -3.13809   0.00000  -0.00001   0.00020   0.00019  -3.13790
   D190       0.00023   0.00000  -0.00001   0.00009   0.00009   0.00032
   D191       3.14080   0.00000  -0.00002   0.00010   0.00008   3.14088
   D192      -3.13369   0.00000   0.00001   0.00022   0.00024  -3.13345
   D193       0.00688   0.00000   0.00000   0.00023   0.00024   0.00711
   D194       0.00196   0.00000   0.00000   0.00005   0.00005   0.00200
   D195      -3.14053   0.00000  -0.00002   0.00006   0.00004  -3.14049
   D196      -3.13861   0.00000   0.00001   0.00004   0.00005  -3.13856
   D197       0.00209   0.00000   0.00000   0.00005   0.00004   0.00213
   D198      -0.00155   0.00000   0.00001  -0.00010  -0.00009  -0.00164
   D199       3.14005   0.00000   0.00001  -0.00013  -0.00012   3.13993
   D200       3.14094   0.00000   0.00002  -0.00011  -0.00008   3.14086
   D201      -0.00065   0.00000   0.00002  -0.00013  -0.00011  -0.00076
   D202      -0.00105   0.00000   0.00000   0.00001   0.00000  -0.00105
   D203       3.14027   0.00000   0.00000  -0.00005  -0.00006   3.14021
   D204       3.14054   0.00000   0.00000   0.00003   0.00003   3.14057
   D205      -0.00133   0.00000   0.00000  -0.00003  -0.00003  -0.00136
   D206       0.57892  -0.00002  -0.00058   0.00469   0.00410   0.58302
   D207      -2.60720   0.00041   0.00002   0.00514   0.00516  -2.60204
   D208       3.00729  -0.00032  -0.00117   0.00318   0.00201   3.00930
   D209      -0.17882   0.00010  -0.00057   0.00363   0.00306  -0.17576
   D210       3.08876  -0.00099  -0.00014   0.00080   0.00065   3.08942
   D211      -0.09365  -0.00061   0.00041   0.00119   0.00160  -0.09206
   D212      -1.14657  -0.00050  -0.00041  -0.00150  -0.00191  -1.14848
   D213       3.03680  -0.00024  -0.00041  -0.00136  -0.00177   3.03503
   D214       1.01192  -0.00019  -0.00028  -0.00079  -0.00106   1.01085
   D215      -2.03990   0.00019  -0.00134  -0.00892  -0.01027  -2.05017
   D216       1.08424   0.00005  -0.00052  -0.01148  -0.01200   1.07224
   D217      -0.08062  -0.00007  -0.00128  -0.00923  -0.01051  -0.09113
   D218       3.04353  -0.00020  -0.00046  -0.01179  -0.01225   3.03128
   D219       2.13067  -0.00001  -0.00152  -0.00975  -0.01127   2.11940
   D220      -1.02836  -0.00014  -0.00070  -0.01231  -0.01301  -1.04137
   D221       3.14102  -0.00016   0.00013   0.00104   0.00117  -3.14099
   D222      -0.00581  -0.00017  -0.00005  -0.00124  -0.00129  -0.00710
   D223       0.01549  -0.00004  -0.00062   0.00339   0.00277   0.01826
   D224      -3.13134  -0.00005  -0.00080   0.00110   0.00030  -3.13104
   D225       3.13657   0.00013   0.00035  -0.00194  -0.00158   3.13498
   D226      -0.01913   0.00002   0.00102  -0.00402  -0.00300  -0.02213
   D227      -0.00083   0.00004  -0.00033  -0.00041  -0.00074  -0.00157
   D228      -3.13771   0.00005  -0.00017   0.00164   0.00147  -3.13624
   D229      -0.01455  -0.00002   0.00114  -0.00282  -0.00168  -0.01623
   D230      -3.11621  -0.00005  -0.00056   0.00066   0.00009  -3.11612
   D231       0.01980   0.00000  -0.00127   0.00402   0.00275   0.02255
   D232       3.12310   0.00002   0.00036   0.00068   0.00104   3.12414
   D233      -1.00242   0.00004  -0.00040   0.00139   0.00098  -1.00144
   D234       1.08480   0.00003  -0.00035   0.00134   0.00099   1.08580
   D235      -3.09258   0.00000  -0.00043   0.00046   0.00004  -3.09254
   D236       3.11605   0.00002  -0.00042   0.00169   0.00127   3.11732
   D237      -1.07990   0.00001  -0.00037   0.00165   0.00128  -1.07863
   D238       1.02590  -0.00002  -0.00044   0.00077   0.00032   1.02622
   D239       1.04529   0.00000  -0.00036   0.00099   0.00064   1.04593
   D240       3.13252  -0.00001  -0.00031   0.00095   0.00064   3.13316
   D241      -1.04487  -0.00005  -0.00038   0.00007  -0.00031  -1.04517
   D242       2.98339   0.00007   0.00063   0.00162   0.00225   2.98563
   D243      -1.22732   0.00009   0.00071   0.00160   0.00230  -1.22502
   D244       0.90257   0.00008   0.00064   0.00169   0.00233   0.90490
   D245      -1.11077  -0.00007   0.00060   0.00109   0.00169  -1.10908
   D246       0.96171  -0.00006   0.00068   0.00107   0.00174   0.96346
   D247       3.09160  -0.00006   0.00061   0.00116   0.00177   3.09337
   D248       0.95806   0.00002   0.00051   0.00176   0.00226   0.96032
   D249       3.03054   0.00004   0.00059   0.00173   0.00232   3.03286
   D250      -1.12276   0.00004   0.00052   0.00182   0.00234  -1.12041
   D251       0.00147   0.00001   0.00050  -0.00084  -0.00034   0.00112
   D252       3.13609   0.00001   0.00037  -0.00073  -0.00036   3.13572
         Item               Value     Threshold  Converged?
 Maximum Force            0.000992     0.000450     NO 
 RMS     Force            0.000121     0.000300     YES
 Maximum Displacement     0.070126     0.001800     NO 
 RMS     Displacement     0.014593     0.001200     NO 
 Predicted change in Energy=-1.062576D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.788940   -1.997236    0.997766
      2          6           0       -9.338483   -1.025552   -0.097331
      3          6           0      -10.141646    0.278361   -0.066695
      4          6           0       -7.875021   -0.740213    0.029858
      5          7           0       -6.945875   -1.011082   -0.854870
      6          6           0       -5.653749   -0.613786   -0.420790
      7          6           0       -4.499605   -0.885000   -1.344581
      8          7           0       -3.877667    0.347275   -1.892659
      9          6           0       -4.732349    1.065707   -2.878816
     10          6           0       -3.062754    1.182252   -1.083054
     11          8           0       -2.855084    2.357228   -1.365497
     12          7           0       -2.443153    0.591566    0.058019
     13          6           0       -1.305602    1.338107    0.641629
     14          6           0       -0.016143    1.065601   -0.162828
     15          8           0        0.230902   -0.019112   -0.685660
     16          7           0        0.872847    2.125207   -0.253852
     17          6           0        2.172073    1.997321   -0.970623
     18          6           0        2.494967    3.319856   -1.700746
     19          6           0        2.607228    4.516343   -0.796770
     20          6           0        1.492701    5.344487   -0.587742
     21          6           0        1.592480    6.456385    0.252452
     22          6           0        2.802228    6.752340    0.888344
     23          6           0        3.916184    5.934266    0.675194
     24          6           0        3.822582    4.821286   -0.164725
     25          6           0        3.289988    1.580056    0.008866
     26          6           0        3.095831    0.140756    0.496452
     27          8           0        2.576313    0.195496    1.842955
     28          6           0        4.409805   -0.678962    0.662140
     29          6           0        5.175227   -0.794863   -0.666586
     30          6           0        6.545385   -1.381643   -0.467979
     31          6           0        6.750278   -2.758789   -0.643569
     32          6           0        8.023796   -3.304172   -0.465348
     33          6           0        9.098789   -2.481861   -0.111316
     34          6           0        8.895453   -1.110004    0.066669
     35          6           0        7.623469   -0.558103   -0.109734
     36          7           0        4.060755   -2.026947    1.214152
     37          6           0        3.221987   -2.851739    0.460340
     38          8           0        3.134842   -2.950046   -0.753308
     39          8           0        2.473838   -3.649973    1.316755
     40          6           0        1.493032   -4.525933    0.674101
     41          6           0        0.435649   -3.722828    0.029227
     42          6           0       -0.909025   -3.665543    0.276907
     43          7           0       -1.635379   -2.775947   -0.541525
     44          6           0       -0.848005   -2.159335   -1.404639
     45         16           0        0.846189   -2.609037   -1.255514
     46          6           0       -1.136303    0.929527    2.134537
     47          6           0       -0.694811   -0.525166    2.300585
     48          6           0       -0.160124    1.877653    2.835054
     49          6           0       -5.608569   -0.028731    0.812421
     50         16           0       -7.206318    0.045982    1.486429
     51          1           0      -10.833229   -2.296153    0.848839
     52          1           0       -9.182908   -2.912173    0.995907
     53          1           0       -9.718067   -1.558282    1.999988
     54          1           0       -9.505156   -1.519479   -1.097466
     55          1           0      -10.073865    0.787665    0.901980
     56          1           0       -9.793414    0.982129   -0.833086
     57          1           0      -11.204356    0.086567   -0.256711
     58          1           0       -3.727790   -1.506892   -0.822154
     59          1           0       -4.838779   -1.509325   -2.211550
     60          1           0       -4.837203    0.437154   -3.778124
     61          1           0       -4.254475    2.019174   -3.175320
     62          1           0       -5.736628    1.292412   -2.485229
     63          1           0       -2.324069   -0.431775    0.075007
     64          1           0       -1.562124    2.437371    0.589056
     65          1           0        0.701277    3.007400    0.225623
     66          1           0        2.051853    1.188154   -1.749510
     67          1           0        1.712419    3.499560   -2.472069
     68          1           0        3.432688    3.189121   -2.280593
     69          1           0        0.549733    5.130988   -1.090967
     70          1           0        0.724778    7.096625    0.408260
     71          1           0        2.877952    7.618639    1.542300
     72          1           0        4.861836    6.166054    1.163600
     73          1           0        4.697250    4.196350   -0.330609
     74          1           0        3.311944    2.257140    0.890146
     75          1           0        4.275304    1.703716   -0.481151
     76          1           0        2.369585   -0.410188   -0.155577
     77          1           0        1.588935    0.060824    1.834200
     78          1           0        5.057731   -0.188163    1.438693
     79          1           0        4.590652   -1.414615   -1.390360
     80          1           0        5.249759    0.206650   -1.140307
     81          1           0        5.910102   -3.400290   -0.912152
     82          1           0        8.178939   -4.373166   -0.601761
     83          1           0       10.089489   -2.908874    0.025820
     84          1           0        9.730096   -0.468657    0.343630
     85          1           0        7.473809    0.508952    0.031822
     86          1           0        3.884662   -2.016324    2.229090
     87          1           0        1.136289   -5.112014    1.545460
     88          1           0        2.029289   -5.181924   -0.041832
     89          1           0       -1.462930   -4.229028    1.019926
     90          1           0       -1.173918   -1.412161   -2.122960
     91          1           0       -2.146325    1.045833    2.611154
     92          1           0       -1.394560   -1.227365    1.826022
     93          1           0        0.291827   -0.721058    1.847052
     94          1           0       -0.630891   -0.802224    3.359326
     95          1           0       -0.154363    1.698771    3.918413
     96          1           0        0.878429    1.742769    2.496101
     97          1           0       -0.426533    2.929956    2.690723
     98          1           0       -4.748170    0.354715    1.337852
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0824037      0.0286836      0.0232088
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3658.7700315061 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258323827212     A.U. after   16 cycles
             Convg  =    0.6137D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010852   -0.000025066    0.000016398
      2        6           0.000009059   -0.000005883   -0.000001761
      3        6          -0.000001074   -0.000003354    0.000020829
      4        6          -0.000026336    0.000066359    0.000021918
      5        7           0.000049603    0.000010186   -0.000041270
      6        6           0.000029006    0.000023147   -0.000010937
      7        6           0.000057589   -0.000001701   -0.000016373
      8        7          -0.000043381   -0.000073893   -0.000069309
      9        6          -0.000060521   -0.000030703    0.000064322
     10        6           0.000203563    0.000088924   -0.000153657
     11        8          -0.000035859    0.000032231    0.000010656
     12        7          -0.000021671    0.000073415    0.000129855
     13        6          -0.000134071   -0.000095008    0.000033852
     14        6          -0.000016016   -0.000049994    0.000011196
     15        8           0.000056326   -0.000143099   -0.000070775
     16        7          -0.000049682    0.000020895    0.000114080
     17        6          -0.000043569    0.000002370    0.000052295
     18        6           0.000016469   -0.000036516   -0.000017563
     19        6          -0.000001805    0.000011168   -0.000013156
     20        6          -0.000011499    0.000003162    0.000006122
     21        6           0.000006626   -0.000006410   -0.000002061
     22        6          -0.000001153   -0.000006024   -0.000002015
     23        6          -0.000014512    0.000019244   -0.000000044
     24        6           0.000007402   -0.000022474   -0.000007271
     25        6           0.000066751    0.000101934   -0.000104259
     26        6           0.000095301   -0.000061964    0.000017959
     27        8           0.000013876    0.000177282    0.000237454
     28        6          -0.000178058    0.000026775    0.000108310
     29        6          -0.000056972   -0.000089928   -0.000011834
     30        6           0.000046437   -0.000022724   -0.000011605
     31        6          -0.000046060    0.000006118    0.000015057
     32        6           0.000032393    0.000016606   -0.000005647
     33        6          -0.000004875   -0.000010591   -0.000000717
     34        6          -0.000004647   -0.000000136   -0.000001808
     35        6          -0.000005120    0.000007478    0.000013301
     36        7           0.000367378    0.000178397   -0.000020956
     37        6          -0.000167152   -0.000430549    0.000296912
     38        8          -0.000040663    0.000107271   -0.000083204
     39        8          -0.000115634   -0.000100736   -0.000126431
     40        6           0.000144238    0.000112046   -0.000106728
     41        6          -0.000050801   -0.000011842    0.000180461
     42        6           0.000084188    0.000013961   -0.000018201
     43        7          -0.000070889   -0.000045502   -0.000009812
     44        6           0.000148153   -0.000152634    0.000060993
     45       16          -0.000032381    0.000388523   -0.000044089
     46        6           0.000035269    0.000027643   -0.000018720
     47        6           0.000087771    0.000112073   -0.000111870
     48        6          -0.000008967    0.000004281    0.000019651
     49        6          -0.000095507    0.000012266    0.000015431
     50       16           0.000066207   -0.000074890    0.000007398
     51        1           0.000016469    0.000000239    0.000003064
     52        1           0.000000573    0.000016801   -0.000009773
     53        1          -0.000011848    0.000007226   -0.000015104
     54        1          -0.000010090    0.000001710   -0.000002483
     55        1          -0.000022649    0.000008972   -0.000001830
     56        1          -0.000000905   -0.000005498   -0.000007698
     57        1          -0.000006142    0.000003352   -0.000009678
     58        1           0.000032410    0.000008139   -0.000023697
     59        1          -0.000006984   -0.000055573    0.000022595
     60        1          -0.000003640    0.000005689   -0.000001799
     61        1          -0.000011767   -0.000000346    0.000048364
     62        1           0.000010217    0.000019916    0.000017754
     63        1          -0.000026661    0.000047225    0.000004236
     64        1           0.000026641   -0.000040206   -0.000031404
     65        1           0.000003548    0.000039496    0.000001610
     66        1          -0.000013431   -0.000026255   -0.000058946
     67        1          -0.000004266    0.000001856   -0.000005301
     68        1           0.000012707   -0.000003461    0.000011039
     69        1           0.000003741    0.000000922   -0.000005834
     70        1           0.000001422    0.000003966    0.000002303
     71        1          -0.000001880    0.000000420    0.000001107
     72        1           0.000002783   -0.000000882   -0.000000374
     73        1          -0.000002711    0.000000754    0.000001043
     74        1           0.000000330   -0.000051815   -0.000009628
     75        1          -0.000024123    0.000020111    0.000021028
     76        1           0.000012997   -0.000035779   -0.000015125
     77        1          -0.000017312   -0.000116922   -0.000089146
     78        1          -0.000063131    0.000012723   -0.000071214
     79        1           0.000006357   -0.000005082   -0.000015091
     80        1           0.000009523    0.000037873    0.000017450
     81        1          -0.000010197    0.000002639   -0.000001349
     82        1           0.000002751   -0.000002090   -0.000003891
     83        1          -0.000002066   -0.000003457   -0.000002530
     84        1          -0.000003882   -0.000003746    0.000002241
     85        1           0.000006090   -0.000000957   -0.000002020
     86        1          -0.000035586    0.000016482   -0.000098769
     87        1          -0.000046572   -0.000081924   -0.000057877
     88        1           0.000040151   -0.000018370    0.000003439
     89        1          -0.000052495    0.000100907   -0.000029209
     90        1          -0.000035263    0.000146894    0.000011233
     91        1           0.000030831   -0.000023857   -0.000005484
     92        1          -0.000010360   -0.000167818   -0.000022086
     93        1          -0.000074872   -0.000037020   -0.000005479
     94        1          -0.000030649    0.000011468    0.000089437
     95        1           0.000010018   -0.000004451   -0.000019370
     96        1           0.000011218    0.000018299   -0.000042519
     97        1           0.000007237    0.000008879    0.000038554
     98        1           0.000007590    0.000000420   -0.000004171
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000430549 RMS     0.000070615

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001725391 RMS     0.000178029
 Search for a local minimum.
 Step number  61 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   56   57   58   59   60
                                                     61
 DE= -6.00D-06 DEPred=-1.06D-05 R= 5.65D-01
 SS=  1.41D+00  RLast= 4.94D-02 DXNew= 1.2520D+00 1.4833D-01
 Trust test= 5.65D-01 RLast= 4.94D-02 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00104   0.00158   0.00202   0.00241   0.00274
     Eigenvalues ---    0.00342   0.00407   0.00519   0.00578   0.00632
     Eigenvalues ---    0.00697   0.00761   0.00827   0.00899   0.00960
     Eigenvalues ---    0.00980   0.01098   0.01109   0.01180   0.01292
     Eigenvalues ---    0.01322   0.01366   0.01410   0.01442   0.01504
     Eigenvalues ---    0.01527   0.01639   0.01682   0.01749   0.01771
     Eigenvalues ---    0.01864   0.01927   0.02088   0.02105   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02231   0.02257   0.02268
     Eigenvalues ---    0.02290   0.02328   0.02372   0.02404   0.02409
     Eigenvalues ---    0.02414   0.02447   0.02482   0.02484   0.02489
     Eigenvalues ---    0.02527   0.02528   0.02675   0.02682   0.02702
     Eigenvalues ---    0.02817   0.02996   0.03342   0.03485   0.03827
     Eigenvalues ---    0.04010   0.04105   0.04137   0.04176   0.04364
     Eigenvalues ---    0.04549   0.04681   0.04912   0.04954   0.05085
     Eigenvalues ---    0.05097   0.05199   0.05223   0.05346   0.05400
     Eigenvalues ---    0.05449   0.05475   0.05507   0.05566   0.05585
     Eigenvalues ---    0.05621   0.05722   0.05765   0.05840   0.05850
     Eigenvalues ---    0.05873   0.05983   0.06012   0.06079   0.06293
     Eigenvalues ---    0.06497   0.06724   0.06900   0.07064   0.07099
     Eigenvalues ---    0.07522   0.07891   0.08360   0.08583   0.08771
     Eigenvalues ---    0.09368   0.09711   0.09867   0.10317   0.11189
     Eigenvalues ---    0.12092   0.12895   0.13120   0.13240   0.13466
     Eigenvalues ---    0.13824   0.13912   0.14396   0.15456   0.15664
     Eigenvalues ---    0.15757   0.15784   0.15962   0.15978   0.15983
     Eigenvalues ---    0.15992   0.15996   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16005   0.16010   0.16014
     Eigenvalues ---    0.16042   0.16045   0.16076   0.16092   0.16101
     Eigenvalues ---    0.16274   0.16300   0.16505   0.16885   0.17153
     Eigenvalues ---    0.17351   0.17760   0.17991   0.18568   0.18874
     Eigenvalues ---    0.19577   0.19643   0.20490   0.20817   0.21697
     Eigenvalues ---    0.21836   0.21886   0.22000   0.22001   0.22006
     Eigenvalues ---    0.22031   0.22337   0.22633   0.23024   0.23162
     Eigenvalues ---    0.23388   0.23499   0.23605   0.23706   0.24101
     Eigenvalues ---    0.24318   0.24696   0.24784   0.24996   0.25043
     Eigenvalues ---    0.25089   0.25239   0.25527   0.25674   0.26799
     Eigenvalues ---    0.27944   0.29125   0.29499   0.29717   0.29823
     Eigenvalues ---    0.29919   0.30110   0.30272   0.30433   0.30598
     Eigenvalues ---    0.30680   0.30867   0.31241   0.31380   0.31426
     Eigenvalues ---    0.31465   0.31501   0.31602   0.31682   0.31818
     Eigenvalues ---    0.31984   0.32053   0.32221   0.32347   0.32484
     Eigenvalues ---    0.32570   0.32674   0.32702   0.32785   0.32826
     Eigenvalues ---    0.32869   0.32964   0.32980   0.33063   0.33113
     Eigenvalues ---    0.33137   0.33211   0.33402   0.33544   0.33594
     Eigenvalues ---    0.33669   0.33725   0.33762   0.33893   0.33966
     Eigenvalues ---    0.33974   0.34083   0.34180   0.34242   0.34315
     Eigenvalues ---    0.34436   0.34478   0.34513   0.34600   0.34717
     Eigenvalues ---    0.35275   0.36243   0.36310   0.36372   0.36377
     Eigenvalues ---    0.36628   0.36822   0.36945   0.37038   0.37152
     Eigenvalues ---    0.38460   0.38505   0.39143   0.39560   0.39964
     Eigenvalues ---    0.40919   0.41622   0.42501   0.42548   0.43070
     Eigenvalues ---    0.43305   0.43435   0.43971   0.44765   0.45220
     Eigenvalues ---    0.45271   0.46948   0.47364   0.47719   0.48364
     Eigenvalues ---    0.48521   0.48677   0.49002   0.49371   0.49753
     Eigenvalues ---    0.50289   0.50906   0.51259   0.51290   0.51498
     Eigenvalues ---    0.56355   0.58070   0.59026   0.59844   0.62636
     Eigenvalues ---    0.63452   0.65535   0.76802   0.78872   0.84760
     Eigenvalues ---    1.30368   1.92085   3.384951000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    61   60   59   58   57
 RFO step:  Lambda=-1.16367689D-05.
 DIIS coeffs:      0.69737      0.35604     -0.03294     -0.07000      0.04953
 Iteration  1 RMS(Cart)=  0.00618433 RMS(Int)=  0.00000750
 Iteration  2 RMS(Cart)=  0.00001705 RMS(Int)=  0.00000026
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000026
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89463  -0.00001   0.00001  -0.00005  -0.00004   2.89459
    R2        2.07188   0.00001  -0.00001   0.00004   0.00003   2.07191
    R3        2.07387   0.00000   0.00000   0.00000   0.00000   2.07387
    R4        2.07195  -0.00002  -0.00001  -0.00004  -0.00004   2.07191
    R5        2.89455  -0.00003   0.00002  -0.00007  -0.00006   2.89450
    R6        2.82785  -0.00003   0.00004  -0.00009  -0.00004   2.82781
    R7        2.13130   0.00000  -0.00001   0.00001   0.00000   2.13130
    R8        2.07209  -0.00001  -0.00001  -0.00003  -0.00004   2.07205
    R9        2.07346   0.00001   0.00000   0.00004   0.00004   2.07350
   R10        2.07203   0.00000   0.00000   0.00000   0.00000   2.07202
   R11        2.47794  -0.00002   0.00002  -0.00001   0.00001   2.47795
   R12        3.37350   0.00006  -0.00001   0.00005   0.00004   3.37354
   R13        2.68305   0.00002  -0.00002   0.00003   0.00001   2.68306
   R14        2.84025  -0.00002  -0.00005   0.00002  -0.00003   2.84022
   R15        2.58080  -0.00001  -0.00003   0.00003   0.00000   2.58080
   R16        2.80654  -0.00002  -0.00009   0.00018   0.00009   2.80664
   R17        2.11732  -0.00004   0.00000  -0.00004  -0.00004   2.11728
   R18        2.11823  -0.00006   0.00004  -0.00016  -0.00012   2.11811
   R19        2.81508  -0.00014   0.00002  -0.00020  -0.00018   2.81490
   R20        2.68363  -0.00010  -0.00003   0.00011   0.00007   2.68370
   R21        2.08284   0.00001   0.00000   0.00000   0.00000   2.08285
   R22        2.09187  -0.00003   0.00002  -0.00010  -0.00008   2.09178
   R23        2.08289   0.00001  -0.00001   0.00005   0.00004   2.08292
   R24        2.31711  -0.00003   0.00000  -0.00006  -0.00006   2.31704
   R25        2.69567   0.00017  -0.00013   0.00018   0.00005   2.69572
   R26        2.79778   0.00017   0.00005   0.00006   0.00011   2.79789
   R27        1.94715   0.00005  -0.00007   0.00049   0.00042   1.94757
   R28        2.91785   0.00001   0.00001  -0.00020  -0.00019   2.91766
   R29        2.94238  -0.00006   0.00006  -0.00009  -0.00003   2.94235
   R30        2.13543   0.00006  -0.00001   0.00004   0.00004   2.13547
   R31        2.32289  -0.00016   0.00001  -0.00022  -0.00020   2.32269
   R32        2.61940  -0.00021   0.00000   0.00002   0.00002   2.61943
   R33        2.81443   0.00003   0.00006  -0.00019  -0.00014   2.81429
   R34        1.92492  -0.00003   0.00002  -0.00010  -0.00007   1.92485
   R35        2.91927   0.00004   0.00000   0.00012   0.00011   2.91938
   R36        2.91731  -0.00007   0.00008  -0.00022  -0.00013   2.91718
   R37        2.13453  -0.00001   0.00001   0.00003   0.00005   2.13457
   R38        2.84173  -0.00001   0.00002   0.00001   0.00002   2.84175
   R39        2.10398   0.00000   0.00000  -0.00004  -0.00004   2.10394
   R40        2.09805  -0.00002   0.00000   0.00000   0.00000   2.09805
   R41        2.65349   0.00000   0.00001  -0.00002  -0.00001   2.65348
   R42        2.65206   0.00001   0.00000   0.00000   0.00000   2.65206
   R43        2.64035   0.00001   0.00000   0.00000   0.00000   2.64034
   R44        2.05972   0.00000   0.00000  -0.00001  -0.00001   2.05971
   R45        2.64254   0.00001   0.00000   0.00002   0.00002   2.64256
   R46        2.05893   0.00000   0.00000  -0.00001  -0.00001   2.05892
   R47        2.64263   0.00000   0.00000   0.00000   0.00000   2.64263
   R48        2.05613   0.00000   0.00000   0.00001   0.00000   2.05613
   R49        2.64085  -0.00002   0.00001  -0.00002  -0.00001   2.64084
   R50        2.05843   0.00000   0.00000  -0.00001   0.00000   2.05843
   R51        2.05547   0.00000   0.00001  -0.00001   0.00000   2.05547
   R52        2.89506   0.00021   0.00007   0.00006   0.00013   2.89519
   R53        2.10056   0.00004   0.00007  -0.00015  -0.00008   2.10048
   R54        2.09262   0.00001  -0.00008   0.00017   0.00008   2.09270
   R55        2.72931   0.00009   0.00002   0.00000   0.00002   2.72933
   R56        2.94331   0.00013   0.00014  -0.00011   0.00003   2.94334
   R57        2.11794  -0.00003   0.00002  -0.00005  -0.00004   2.11790
   R58        1.88322  -0.00008  -0.00009  -0.00001  -0.00009   1.88313
   R59        2.90601   0.00000   0.00000  -0.00007  -0.00006   2.90595
   R60        2.83057   0.00009   0.00013  -0.00035  -0.00022   2.83035
   R61        2.12435  -0.00001  -0.00001   0.00006   0.00005   2.12439
   R62        2.84156  -0.00001  -0.00001  -0.00002  -0.00003   2.84153
   R63        2.11250   0.00000   0.00004   0.00001   0.00005   2.11255
   R64        2.09836  -0.00003  -0.00006  -0.00001  -0.00007   2.09829
   R65        2.65192   0.00003   0.00000   0.00003   0.00003   2.65194
   R66        2.65156   0.00000   0.00000   0.00003   0.00003   2.65160
   R67        2.63957  -0.00003   0.00000   0.00000   0.00001   2.63958
   R68        2.06106   0.00000   0.00002  -0.00004  -0.00002   2.06104
   R69        2.64369   0.00001   0.00001  -0.00002  -0.00001   2.64368
   R70        2.05748   0.00000   0.00000  -0.00002  -0.00002   2.05746
   R71        2.64225  -0.00001   0.00000   0.00004   0.00004   2.64229
   R72        2.05506   0.00000  -0.00001   0.00001   0.00001   2.05507
   R73        2.64133   0.00000   0.00000  -0.00005  -0.00005   2.64128
   R74        2.05682   0.00000   0.00000   0.00001   0.00001   2.05683
   R75        2.05367   0.00000   0.00000   0.00000   0.00001   2.05368
   R76        2.64024  -0.00004   0.00008  -0.00010  -0.00002   2.64022
   R77        1.94671  -0.00010   0.00001   0.00004   0.00005   1.94676
   R78        2.30686   0.00014  -0.00002  -0.00006  -0.00008   2.30678
   R79        2.62553  -0.00001   0.00002  -0.00014  -0.00013   2.62541
   R80        2.76591   0.00047  -0.00015   0.00043   0.00027   2.76618
   R81        2.78944  -0.00007  -0.00015   0.00005  -0.00010   2.78934
   R82        2.09583  -0.00008   0.00015  -0.00081  -0.00067   2.09516
   R83        2.09620  -0.00004   0.00000  -0.00003  -0.00003   2.09617
   R84        2.58608   0.00003  -0.00016   0.00055   0.00040   2.58647
   R85        3.30547  -0.00002   0.00024  -0.00140  -0.00116   3.30431
   R86        2.66498  -0.00007   0.00006  -0.00041  -0.00034   2.66464
   R87        2.04964  -0.00003   0.00003  -0.00012  -0.00009   2.04955
   R88        2.49639  -0.00010  -0.00009   0.00020   0.00010   2.49650
   R89        3.32440   0.00006   0.00010  -0.00029  -0.00019   3.32420
   R90        2.05318  -0.00003  -0.00002  -0.00012  -0.00014   2.05304
   R91        2.88987  -0.00006   0.00000  -0.00010  -0.00010   2.88977
   R92        2.89233  -0.00003  -0.00009   0.00017   0.00007   2.89240
   R93        2.12192   0.00003   0.00000   0.00013   0.00013   2.12205
   R94        2.07693  -0.00016   0.00003  -0.00028  -0.00025   2.07668
   R95        2.08515   0.00007  -0.00003   0.00000  -0.00003   2.08512
   R96        2.07163   0.00008  -0.00001   0.00010   0.00008   2.07171
   R97        2.07500  -0.00001  -0.00001   0.00008   0.00007   2.07507
   R98        2.08014   0.00000  -0.00003   0.00010   0.00007   2.08021
   R99        2.06936  -0.00003   0.00000  -0.00003  -0.00003   2.06932
   R100       3.28001   0.00004  -0.00002   0.00007   0.00005   3.28006
   R101       2.03827  -0.00001   0.00000  -0.00004  -0.00004   2.03823
    A1        1.93472   0.00000   0.00000   0.00001   0.00001   1.93472
    A2        1.94470  -0.00001   0.00002  -0.00009  -0.00007   1.94463
    A3        1.96116  -0.00001  -0.00001  -0.00006  -0.00007   1.96109
    A4        1.87387   0.00000  -0.00003   0.00004   0.00001   1.87387
    A5        1.87013   0.00000   0.00002   0.00001   0.00003   1.87016
    A6        1.87509   0.00001   0.00001   0.00009   0.00010   1.87520
    A7        1.95143   0.00002  -0.00001   0.00003   0.00001   1.95144
    A8        1.92601   0.00001  -0.00004   0.00003  -0.00001   1.92600
    A9        1.88884  -0.00001   0.00001   0.00011   0.00012   1.88896
   A10        1.92706  -0.00003   0.00006  -0.00024  -0.00019   1.92688
   A11        1.88920   0.00001  -0.00002   0.00008   0.00006   1.88926
   A12        1.87906   0.00001   0.00001   0.00000   0.00001   1.87907
   A13        1.96130  -0.00002   0.00002  -0.00012  -0.00010   1.96120
   A14        1.94510   0.00000   0.00001  -0.00004  -0.00004   1.94506
   A15        1.93461   0.00000  -0.00001   0.00007   0.00005   1.93466
   A16        1.87498   0.00000   0.00000  -0.00002  -0.00002   1.87496
   A17        1.86947   0.00002   0.00000   0.00012   0.00013   1.86960
   A18        1.87418   0.00000  -0.00003   0.00001  -0.00002   1.87417
   A19        2.20960   0.00000  -0.00001  -0.00006  -0.00007   2.20953
   A20        2.11725  -0.00002   0.00001   0.00005   0.00006   2.11730
   A21        1.95634   0.00002   0.00000   0.00002   0.00002   1.95635
   A22        1.96143  -0.00003  -0.00002  -0.00001  -0.00003   1.96140
   A23        2.04928   0.00003  -0.00010   0.00033   0.00023   2.04951
   A24        2.01092   0.00003   0.00001   0.00003   0.00004   2.01096
   A25        2.22296  -0.00006   0.00009  -0.00036  -0.00027   2.22268
   A26        1.98086   0.00001   0.00008  -0.00025  -0.00017   1.98070
   A27        1.92041  -0.00001  -0.00008   0.00004  -0.00004   1.92037
   A28        1.92148   0.00000  -0.00003   0.00021   0.00018   1.92166
   A29        1.92212   0.00001  -0.00004   0.00002  -0.00002   1.92209
   A30        1.87908  -0.00001   0.00006  -0.00006   0.00000   1.87908
   A31        1.83374   0.00000   0.00000   0.00007   0.00007   1.83381
   A32        1.98689  -0.00008   0.00006  -0.00056  -0.00050   1.98639
   A33        2.11503   0.00009   0.00007  -0.00055  -0.00048   2.11456
   A34        2.00763  -0.00002   0.00006  -0.00041  -0.00036   2.00727
   A35        1.89620   0.00001   0.00004  -0.00011  -0.00007   1.89613
   A36        1.92307  -0.00005   0.00003  -0.00022  -0.00019   1.92289
   A37        1.96661  -0.00001  -0.00004   0.00014   0.00010   1.96671
   A38        1.88990   0.00002  -0.00005   0.00016   0.00011   1.89001
   A39        1.89861   0.00000   0.00003  -0.00011  -0.00008   1.89852
   A40        1.88791   0.00003  -0.00002   0.00015   0.00013   1.88804
   A41        2.12856  -0.00005   0.00000   0.00003   0.00003   2.12859
   A42        2.05083   0.00009  -0.00001  -0.00009  -0.00010   2.05074
   A43        2.10307  -0.00004  -0.00002   0.00006   0.00005   2.10312
   A44        2.02668  -0.00009   0.00004   0.00008   0.00012   2.02680
   A45        2.06535   0.00002   0.00008  -0.00021  -0.00013   2.06522
   A46        1.98832   0.00007   0.00003  -0.00001   0.00002   1.98833
   A47        1.92547   0.00003  -0.00006  -0.00036  -0.00042   1.92506
   A48        1.90623   0.00004   0.00017  -0.00058  -0.00041   1.90582
   A49        1.87314  -0.00003   0.00008   0.00023   0.00031   1.87345
   A50        1.94167  -0.00005   0.00006   0.00022   0.00028   1.94195
   A51        1.91455   0.00002  -0.00013   0.00040   0.00026   1.91481
   A52        1.90134  -0.00002  -0.00012   0.00009  -0.00003   1.90131
   A53        2.14740   0.00010  -0.00004  -0.00015  -0.00019   2.14721
   A54        2.02072  -0.00008   0.00005   0.00039   0.00044   2.02116
   A55        2.11501  -0.00002  -0.00001  -0.00024  -0.00025   2.11476
   A56        2.12404   0.00030  -0.00009   0.00001  -0.00008   2.12396
   A57        2.12130  -0.00017   0.00001  -0.00005  -0.00004   2.12126
   A58        2.03514  -0.00013   0.00004   0.00009   0.00013   2.03528
   A59        1.91377  -0.00010   0.00007   0.00001   0.00008   1.91385
   A60        1.92790   0.00000   0.00008   0.00015   0.00023   1.92813
   A61        1.87605   0.00011  -0.00011   0.00008  -0.00003   1.87602
   A62        1.96050   0.00000   0.00010  -0.00038  -0.00028   1.96022
   A63        1.88560  -0.00004  -0.00007   0.00000  -0.00008   1.88553
   A64        1.89753   0.00004  -0.00008   0.00016   0.00009   1.89762
   A65        1.99617   0.00005  -0.00001   0.00012   0.00011   1.99628
   A66        1.89515  -0.00001  -0.00002   0.00022   0.00020   1.89536
   A67        1.89924  -0.00002   0.00000  -0.00017  -0.00017   1.89907
   A68        1.91825  -0.00001   0.00004  -0.00009  -0.00005   1.91819
   A69        1.92260  -0.00002  -0.00003  -0.00005  -0.00007   1.92253
   A70        1.82433   0.00001   0.00002  -0.00005  -0.00003   1.82431
   A71        2.09381   0.00001  -0.00001   0.00009   0.00008   2.09389
   A72        2.10396  -0.00001   0.00002  -0.00008  -0.00007   2.10390
   A73        2.08538   0.00000  -0.00001  -0.00001  -0.00002   2.08537
   A74        2.09691   0.00000   0.00000   0.00001   0.00001   2.09692
   A75        2.09721   0.00000   0.00000   0.00000   0.00000   2.09720
   A76        2.08897   0.00000   0.00000  -0.00001  -0.00001   2.08896
   A77        2.09862   0.00000   0.00000   0.00000   0.00000   2.09862
   A78        2.09065   0.00000   0.00000   0.00000   0.00000   2.09065
   A79        2.09391   0.00001   0.00000   0.00000   0.00000   2.09391
   A80        2.08979   0.00000   0.00000  -0.00001  -0.00001   2.08979
   A81        2.09674   0.00000   0.00000  -0.00001  -0.00001   2.09673
   A82        2.09664   0.00000   0.00000   0.00002   0.00002   2.09666
   A83        2.09921   0.00000   0.00000   0.00000   0.00000   2.09920
   A84        2.09292   0.00000   0.00000  -0.00001  -0.00002   2.09291
   A85        2.09105   0.00000   0.00000   0.00001   0.00002   2.09107
   A86        2.09640   0.00001   0.00000   0.00002   0.00002   2.09642
   A87        2.09770   0.00000   0.00000   0.00001   0.00000   2.09771
   A88        2.08907   0.00000   0.00000  -0.00002  -0.00002   2.08904
   A89        1.94346   0.00066  -0.00014   0.00079   0.00065   1.94411
   A90        1.93125  -0.00030   0.00003  -0.00005  -0.00002   1.93123
   A91        1.91069  -0.00009   0.00008  -0.00045  -0.00037   1.91033
   A92        1.89910  -0.00007  -0.00004  -0.00004  -0.00008   1.89902
   A93        1.93747  -0.00034   0.00016  -0.00053  -0.00038   1.93709
   A94        1.83924   0.00010  -0.00009   0.00025   0.00016   1.83940
   A95        1.88252   0.00026  -0.00023   0.00097   0.00073   1.88325
   A96        2.00577  -0.00067   0.00006  -0.00034  -0.00028   2.00549
   A97        1.93777   0.00016   0.00001  -0.00009  -0.00008   1.93769
   A98        1.79695   0.00003   0.00036  -0.00121  -0.00085   1.79610
   A99        1.90491  -0.00013  -0.00003   0.00003   0.00000   1.90490
   A100       1.92819   0.00036  -0.00015   0.00060   0.00045   1.92865
   A101       1.92099  -0.00001  -0.00003  -0.00003  -0.00006   1.92093
   A102       1.94728   0.00002  -0.00020   0.00072   0.00052   1.94780
   A103       1.89256   0.00048   0.00002   0.00037   0.00039   1.89295
   A104       1.90704  -0.00028   0.00011  -0.00042  -0.00031   1.90674
   A105       1.94614  -0.00017   0.00026  -0.00046  -0.00019   1.94594
   A106       1.92079   0.00007  -0.00012  -0.00021  -0.00033   1.92047
   A107       1.84693  -0.00013  -0.00007  -0.00005  -0.00012   1.84681
   A108       1.94854  -0.00001  -0.00001  -0.00007  -0.00009   1.94846
   A109       1.91870   0.00001   0.00005  -0.00013  -0.00009   1.91861
   A110       1.91140  -0.00001   0.00007   0.00006   0.00013   1.91152
   A111       1.92374   0.00002  -0.00006   0.00021   0.00015   1.92389
   A112       1.92532   0.00000   0.00007  -0.00005   0.00001   1.92534
   A113       1.83270  -0.00001  -0.00011  -0.00001  -0.00012   1.83257
   A114       2.09377   0.00004  -0.00002   0.00005   0.00003   2.09380
   A115       2.09994  -0.00003   0.00002  -0.00001   0.00000   2.09994
   A116       2.08948  -0.00002   0.00000  -0.00004  -0.00003   2.08944
   A117       2.09476   0.00000   0.00000   0.00001   0.00001   2.09477
   A118       2.08925   0.00001  -0.00002   0.00007   0.00006   2.08931
   A119       2.09915  -0.00001   0.00002  -0.00008  -0.00007   2.09908
   A120       2.09830   0.00001   0.00000   0.00000   0.00000   2.09830
   A121       2.09127   0.00000   0.00001  -0.00004  -0.00003   2.09124
   A122       2.09362   0.00000  -0.00001   0.00003   0.00003   2.09365
   A123       2.09114   0.00000   0.00000   0.00000   0.00000   2.09114
   A124       2.09570   0.00001  -0.00001   0.00006   0.00005   2.09575
   A125       2.09634   0.00000   0.00001  -0.00006  -0.00005   2.09629
   A126       2.09866   0.00000   0.00000  -0.00001  -0.00001   2.09865
   A127       2.09325   0.00000   0.00000  -0.00005  -0.00005   2.09320
   A128       2.09128   0.00000   0.00000   0.00006   0.00006   2.09133
   A129       2.09403   0.00001   0.00000   0.00003   0.00003   2.09406
   A130       2.09871  -0.00001   0.00000  -0.00012  -0.00013   2.09858
   A131       2.09045   0.00000   0.00000   0.00009   0.00009   2.09054
   A132       2.06272   0.00151   0.00059   0.00002   0.00061   2.06333
   A133       1.97539  -0.00061  -0.00004  -0.00025  -0.00029   1.97510
   A134       2.02087  -0.00040   0.00010  -0.00002   0.00008   2.02095
   A135       2.24823   0.00024   0.00022   0.00005   0.00027   2.24851
   A136       1.90696  -0.00049  -0.00007  -0.00025  -0.00032   1.90664
   A137       2.12718   0.00023  -0.00016   0.00023   0.00007   2.12725
   A138       2.01976   0.00173  -0.00005   0.00057   0.00052   2.02028
   A139       1.92434   0.00161  -0.00007  -0.00009  -0.00016   1.92418
   A140       1.75874  -0.00072  -0.00005  -0.00026  -0.00031   1.75843
   A141       1.88952  -0.00037   0.00003   0.00018   0.00022   1.88974
   A142       1.98268  -0.00024   0.00003   0.00038   0.00041   1.98309
   A143       1.96718  -0.00039  -0.00006  -0.00001  -0.00006   1.96712
   A144       1.92845   0.00012   0.00012  -0.00024  -0.00012   1.92832
   A145       2.27519  -0.00023   0.00026  -0.00074  -0.00048   2.27470
   A146       2.09346   0.00029  -0.00021   0.00049   0.00028   2.09373
   A147       1.91441  -0.00005  -0.00005   0.00022   0.00017   1.91459
   A148       2.01248   0.00005   0.00009  -0.00031  -0.00022   2.01226
   A149       2.21936  -0.00005  -0.00001  -0.00026  -0.00028   2.21908
   A150       2.05133   0.00000  -0.00007   0.00057   0.00049   2.05182
   A151       1.94618   0.00000   0.00000   0.00006   0.00007   1.94624
   A152       1.98155   0.00000   0.00001  -0.00018  -0.00016   1.98139
   A153       2.18238   0.00000  -0.00001  -0.00015  -0.00016   2.18222
   A154       2.11849   0.00001   0.00002   0.00037   0.00039   2.11888
   A155       1.56980   0.00000  -0.00003   0.00022   0.00020   1.56999
   A156       1.96613  -0.00005   0.00006  -0.00028  -0.00022   1.96591
   A157       1.92371   0.00001  -0.00008   0.00029   0.00021   1.92392
   A158       1.85667   0.00002   0.00007  -0.00022  -0.00015   1.85652
   A159       1.93418   0.00001   0.00008  -0.00037  -0.00029   1.93389
   A160       1.88822   0.00003  -0.00009   0.00038   0.00029   1.88851
   A161       1.89153  -0.00002  -0.00006   0.00024   0.00019   1.89172
   A162       1.95742  -0.00007  -0.00007  -0.00015  -0.00022   1.95720
   A163       1.96318  -0.00001   0.00003  -0.00030  -0.00027   1.96291
   A164       1.94132   0.00008   0.00012  -0.00014  -0.00002   1.94130
   A165       1.85292   0.00005   0.00007   0.00030   0.00037   1.85328
   A166       1.86781  -0.00001  -0.00033   0.00070   0.00037   1.86818
   A167       1.87544  -0.00004   0.00017  -0.00036  -0.00019   1.87525
   A168       1.93264   0.00002   0.00000   0.00014   0.00014   1.93278
   A169       1.96591  -0.00003  -0.00001  -0.00012  -0.00013   1.96578
   A170       1.96037  -0.00001  -0.00001  -0.00003  -0.00004   1.96033
   A171       1.85344   0.00002  -0.00002  -0.00003  -0.00004   1.85340
   A172       1.86279  -0.00002   0.00001  -0.00022  -0.00021   1.86258
   A173       1.88252   0.00001   0.00003   0.00025   0.00028   1.88281
   A174       1.91626   0.00000   0.00001  -0.00003  -0.00002   1.91624
   A175       2.23771   0.00001   0.00000   0.00003   0.00003   2.23774
   A176       2.12919   0.00000  -0.00001   0.00000  -0.00001   2.12918
   A177       1.57981  -0.00002   0.00000   0.00000  -0.00001   1.57980
    D1        1.09571   0.00001   0.00046  -0.00152  -0.00105   1.09466
    D2       -3.03538  -0.00002   0.00050  -0.00179  -0.00129  -3.03667
    D3       -0.98342  -0.00001   0.00050  -0.00170  -0.00121  -0.98463
    D4       -3.10170   0.00000   0.00043  -0.00151  -0.00109  -3.10279
    D5       -0.94960  -0.00002   0.00046  -0.00179  -0.00132  -0.95093
    D6        1.10236  -0.00001   0.00046  -0.00170  -0.00124   1.10112
    D7       -0.99631   0.00001   0.00044  -0.00150  -0.00105  -0.99736
    D8        1.15579  -0.00002   0.00048  -0.00177  -0.00129   1.15450
    D9       -3.07544  -0.00001   0.00048  -0.00169  -0.00121  -3.07665
   D10        1.00511   0.00000   0.00012   0.00071   0.00084   1.00595
   D11        3.11073  -0.00001   0.00015   0.00057   0.00072   3.11145
   D12       -1.08609  -0.00001   0.00012   0.00059   0.00071  -1.08538
   D13       -1.14639   0.00000   0.00014   0.00083   0.00097  -1.14541
   D14        0.95923   0.00000   0.00017   0.00068   0.00085   0.96009
   D15        3.04559   0.00000   0.00013   0.00071   0.00085   3.04644
   D16        3.08402   0.00001   0.00011   0.00092   0.00103   3.08505
   D17       -1.09354   0.00000   0.00014   0.00077   0.00091  -1.09263
   D18        0.99282   0.00000   0.00010   0.00080   0.00090   0.99372
   D19        2.05794   0.00001  -0.00072   0.00087   0.00015   2.05809
   D20       -1.08428  -0.00002  -0.00087  -0.00001  -0.00088  -1.08516
   D21       -2.05905   0.00001  -0.00073   0.00076   0.00003  -2.05902
   D22        1.08192  -0.00001  -0.00087  -0.00013  -0.00100   1.08092
   D23       -0.00004   0.00000  -0.00072   0.00072   0.00000  -0.00003
   D24        3.14093  -0.00002  -0.00086  -0.00017  -0.00103   3.13990
   D25       -3.13798   0.00000   0.00000  -0.00032  -0.00032  -3.13830
   D26        0.00420   0.00002   0.00013   0.00050   0.00063   0.00482
   D27        3.13899   0.00000  -0.00006   0.00027   0.00021   3.13920
   D28       -0.00315  -0.00002  -0.00018  -0.00050  -0.00068  -0.00383
   D29        3.13068   0.00000   0.00004  -0.00038  -0.00034   3.13034
   D30       -0.00346   0.00000   0.00002  -0.00024  -0.00022  -0.00368
   D31        1.97063  -0.00002   0.00264  -0.00702  -0.00438   1.96624
   D32       -2.14991   0.00000   0.00258  -0.00715  -0.00457  -2.15447
   D33       -0.13688  -0.00001   0.00252  -0.00692  -0.00440  -0.14128
   D34       -1.17945  -0.00002   0.00266  -0.00718  -0.00452  -1.18397
   D35        0.98320   0.00000   0.00261  -0.00731  -0.00470   0.97850
   D36        2.99623  -0.00001   0.00255  -0.00708  -0.00454   2.99170
   D37        0.00097  -0.00001  -0.00015  -0.00015  -0.00031   0.00067
   D38       -3.13307   0.00001   0.00002   0.00027   0.00029  -3.13278
   D39       -3.13229  -0.00001  -0.00018   0.00001  -0.00017  -3.13247
   D40        0.01685   0.00001  -0.00001   0.00043   0.00042   0.01727
   D41       -1.22813   0.00002  -0.00048   0.00108   0.00059  -1.22753
   D42        1.28357  -0.00001  -0.00016  -0.00151  -0.00167   1.28190
   D43        2.89333   0.00001  -0.00041   0.00120   0.00079   2.89412
   D44       -0.87815  -0.00002  -0.00008  -0.00139  -0.00147  -0.87963
   D45        0.90310   0.00001  -0.00042   0.00114   0.00071   0.90381
   D46       -2.86839  -0.00002  -0.00010  -0.00145  -0.00155  -2.86993
   D47       -1.16625   0.00000   0.00002  -0.00188  -0.00186  -1.16811
   D48        3.04914   0.00000   0.00003  -0.00187  -0.00184   3.04730
   D49        0.93887   0.00000   0.00006  -0.00201  -0.00194   0.93693
   D50        2.56512  -0.00002  -0.00029   0.00059   0.00030   2.56542
   D51        0.49733  -0.00002  -0.00028   0.00060   0.00032   0.49765
   D52       -1.61294  -0.00002  -0.00025   0.00046   0.00021  -1.61272
   D53       -2.77249   0.00004  -0.00110   0.00439   0.00329  -2.76920
   D54        0.40982   0.00007  -0.00043   0.00432   0.00389   0.41371
   D55       -0.26771  -0.00001  -0.00077   0.00172   0.00096  -0.26675
   D56        2.91460   0.00002  -0.00010   0.00166   0.00156   2.91615
   D57        2.83308   0.00003  -0.00087   0.00220   0.00134   2.83441
   D58        0.37158   0.00001  -0.00108   0.00241   0.00132   0.37290
   D59       -0.26843   0.00006  -0.00021   0.00214   0.00193  -0.26650
   D60       -2.72993   0.00004  -0.00043   0.00234   0.00192  -2.72801
   D61       -1.41116  -0.00002  -0.00096  -0.00203  -0.00299  -1.41415
   D62        2.73269  -0.00002  -0.00112  -0.00169  -0.00280   2.72989
   D63        0.67399   0.00000  -0.00111  -0.00161  -0.00272   0.67127
   D64        1.07999  -0.00002  -0.00074  -0.00230  -0.00304   1.07695
   D65       -1.05934  -0.00001  -0.00089  -0.00196  -0.00285  -1.06219
   D66       -3.11804   0.00000  -0.00088  -0.00189  -0.00277  -3.12081
   D67       -0.60291   0.00000   0.00126   0.00217   0.00343  -0.59947
   D68        2.55083  -0.00001   0.00089   0.00221   0.00310   2.55393
   D69        1.51550   0.00004   0.00148   0.00134   0.00282   1.51832
   D70       -1.61395   0.00004   0.00111   0.00138   0.00249  -1.61146
   D71       -2.66279   0.00001   0.00128   0.00186   0.00314  -2.65965
   D72        0.49095   0.00000   0.00091   0.00189   0.00280   0.49376
   D73        1.16774   0.00006  -0.00181   0.00160  -0.00021   1.16752
   D74       -2.94526   0.00004  -0.00172   0.00112  -0.00059  -2.94585
   D75       -0.89822   0.00003  -0.00178   0.00144  -0.00035  -0.89857
   D76       -0.96187   0.00002  -0.00189   0.00230   0.00040  -0.96147
   D77        1.20832   0.00000  -0.00180   0.00182   0.00002   1.20835
   D78       -3.02783  -0.00001  -0.00187   0.00214   0.00027  -3.02755
   D79       -3.07453   0.00003  -0.00169   0.00160  -0.00009  -3.07461
   D80       -0.90433   0.00002  -0.00160   0.00113  -0.00046  -0.90480
   D81        1.14270   0.00001  -0.00166   0.00144  -0.00022   1.14248
   D82        3.11573   0.00003   0.00007   0.00045   0.00052   3.11624
   D83        0.05586   0.00000   0.00054  -0.00022   0.00033   0.05618
   D84       -0.01397   0.00002  -0.00029   0.00048   0.00019  -0.01378
   D85       -3.07383  -0.00001   0.00018  -0.00018   0.00000  -3.07384
   D86        2.50187  -0.00001   0.00078  -0.00124  -0.00046   2.50141
   D87       -1.61154  -0.00008   0.00100  -0.00161  -0.00061  -1.61214
   D88        0.45620   0.00003   0.00089  -0.00129  -0.00039   0.45580
   D89       -0.71761   0.00002   0.00033  -0.00061  -0.00028  -0.71790
   D90        1.45216  -0.00006   0.00055  -0.00098  -0.00043   1.45173
   D91       -2.76329   0.00005   0.00044  -0.00066  -0.00022  -2.76351
   D92        1.04402  -0.00004   0.00005   0.00109   0.00114   1.04516
   D93       -1.10520  -0.00005   0.00002   0.00096   0.00098  -1.10422
   D94       -3.08114  -0.00004   0.00001   0.00099   0.00099  -3.08015
   D95       -1.10666   0.00004  -0.00017   0.00116   0.00099  -1.10567
   D96        3.02731   0.00003  -0.00020   0.00103   0.00083   3.02814
   D97        1.05136   0.00004  -0.00021   0.00105   0.00084   1.05221
   D98        3.08369   0.00002  -0.00008   0.00119   0.00111   3.08480
   D99        0.93448   0.00001  -0.00011   0.00106   0.00095   0.93543
   D100      -1.04146   0.00001  -0.00012   0.00108   0.00096  -1.04051
   D101       1.20720   0.00024   0.00040  -0.00301  -0.00261   1.20459
   D102      -0.90732   0.00009   0.00052  -0.00346  -0.00294  -0.91026
   D103      -2.92697   0.00020   0.00057  -0.00347  -0.00290  -2.92987
   D104      -2.93325   0.00010   0.00061  -0.00316  -0.00254  -2.93580
   D105       1.23541  -0.00004   0.00073  -0.00360  -0.00287   1.23254
   D106      -0.78424   0.00006   0.00078  -0.00361  -0.00284  -0.78707
   D107      -0.84737   0.00008   0.00053  -0.00329  -0.00276  -0.85013
   D108      -2.96189  -0.00006   0.00065  -0.00373  -0.00309  -2.96498
   D109       1.30164   0.00004   0.00069  -0.00374  -0.00305   1.29859
   D110      -1.65013   0.00000  -0.00040   0.00172   0.00131  -1.64882
   D111       1.49991   0.00000  -0.00043   0.00192   0.00148   1.50139
   D112       0.48657   0.00001  -0.00041   0.00202   0.00162   0.48818
   D113      -2.64658   0.00001  -0.00044   0.00222   0.00179  -2.64480
   D114       2.48763   0.00000  -0.00038   0.00189   0.00151   2.48913
   D115      -0.64552   0.00000  -0.00041   0.00209   0.00168  -0.64385
   D116       3.14049   0.00000   0.00000   0.00003   0.00003   3.14052
   D117      -0.01603   0.00000   0.00002  -0.00016  -0.00014  -0.01617
   D118      -0.00946   0.00000   0.00003  -0.00016  -0.00014  -0.00960
   D119       3.11721   0.00000   0.00005  -0.00036  -0.00031   3.11690
   D120      -3.13985   0.00000   0.00002  -0.00011  -0.00009  -3.13994
   D121       0.00798   0.00000   0.00003  -0.00021  -0.00018   0.00780
   D122       0.01015   0.00000  -0.00001   0.00009   0.00008   0.01022
   D123      -3.12521   0.00000   0.00000  -0.00001  -0.00002  -3.12522
   D124       0.00162   0.00000  -0.00002   0.00013   0.00010   0.00172
   D125       3.13857   0.00000  -0.00002   0.00009   0.00008   3.13865
   D126      -3.12512   0.00000  -0.00004   0.00032   0.00027  -3.12484
   D127       0.01183   0.00000  -0.00004   0.00028   0.00024   0.01208
   D128       0.00558   0.00000   0.00000  -0.00001  -0.00001   0.00557
   D129      -3.14155   0.00000   0.00000  -0.00001  -0.00001  -3.14156
   D130      -3.13136   0.00000   0.00000   0.00002   0.00002  -3.13134
   D131       0.00469   0.00000  -0.00001   0.00003   0.00002   0.00471
   D132      -0.00489   0.00000   0.00001  -0.00006  -0.00005  -0.00494
   D133       3.13419   0.00000   0.00000  -0.00003  -0.00003   3.13416
   D134      -3.14094   0.00000   0.00002  -0.00007  -0.00005  -3.14099
   D135      -0.00186   0.00000   0.00001  -0.00004  -0.00003  -0.00189
   D136      -0.00300   0.00000  -0.00001   0.00002   0.00002  -0.00298
   D137       3.13238   0.00000  -0.00002   0.00013   0.00011   3.13249
   D138       3.14110   0.00000   0.00000  -0.00001   0.00000   3.14109
   D139      -0.00670   0.00000  -0.00001   0.00010   0.00009  -0.00662
   D140      -1.80895   0.00003  -0.00010  -0.00026  -0.00035  -1.80931
   D141       2.48154   0.00020  -0.00042   0.00080   0.00038   2.48191
   D142       0.27735   0.00012  -0.00027   0.00032   0.00005   0.27740
   D143       0.32424   0.00003  -0.00017   0.00016   0.00000   0.32424
   D144      -1.66846   0.00020  -0.00049   0.00122   0.00073  -1.66773
   D145       2.41054   0.00012  -0.00034   0.00075   0.00040   2.41094
   D146       2.34061  -0.00009  -0.00022   0.00014  -0.00007   2.34053
   D147       0.34791   0.00009  -0.00054   0.00119   0.00066   0.34857
   D148      -1.85628   0.00001  -0.00039   0.00072   0.00033  -1.85595
   D149       1.73314   0.00023   0.00259  -0.00909  -0.00650   1.72665
   D150      -2.42249  -0.00041   0.00274  -0.00965  -0.00692  -2.42941
   D151      -0.37386  -0.00004   0.00274  -0.00957  -0.00683  -0.38070
   D152      -1.04649   0.00005  -0.00139  -0.00021  -0.00160  -1.04809
   D153       3.08675  -0.00008  -0.00160  -0.00036  -0.00197   3.08478
   D154       1.08146  -0.00004  -0.00159  -0.00029  -0.00188   1.07958
   D155      -3.08847   0.00006  -0.00136  -0.00044  -0.00180  -3.09027
   D156       1.04477  -0.00007  -0.00158  -0.00059  -0.00217   1.04260
   D157      -0.96052  -0.00003  -0.00157  -0.00052  -0.00208  -0.96260
   D158       1.16262   0.00004  -0.00145  -0.00009  -0.00155   1.16107
   D159      -0.98733  -0.00009  -0.00167  -0.00025  -0.00192  -0.98925
   D160      -2.99262  -0.00005  -0.00166  -0.00017  -0.00183  -2.99445
   D161       2.97568  -0.00029   0.00016  -0.00276  -0.00260   2.97308
   D162      -1.16688  -0.00027   0.00010  -0.00263  -0.00253  -1.16941
   D163       0.83816  -0.00028   0.00004  -0.00269  -0.00265   0.83551
   D164      -1.18836   0.00022   0.00023  -0.00210  -0.00187  -1.19022
   D165       0.95226   0.00024   0.00018  -0.00197  -0.00179   0.95047
   D166       2.95731   0.00023   0.00011  -0.00203  -0.00191   2.95539
   D167       0.85569   0.00000   0.00023  -0.00257  -0.00233   0.85335
   D168       2.99631   0.00003   0.00018  -0.00244  -0.00226   2.99405
   D169      -1.28183   0.00001   0.00011  -0.00249  -0.00238  -1.28422
   D170       1.06855   0.00060   0.00078   0.00144   0.00222   1.07077
   D171      -1.37541   0.00014  -0.00012   0.00179   0.00168  -1.37373
   D172      -1.08208   0.00036   0.00084   0.00058   0.00142  -1.08066
   D173       2.75714  -0.00010  -0.00005   0.00093   0.00088   2.75802
   D174       3.11279   0.00044   0.00088   0.00111   0.00199   3.11478
   D175       0.66883  -0.00002  -0.00001   0.00147   0.00145   0.67028
   D176       1.65850   0.00002  -0.00011   0.00082   0.00070   1.65920
   D177      -1.48521   0.00002  -0.00009   0.00076   0.00067  -1.48454
   D178      -0.47923   0.00000  -0.00012   0.00089   0.00076  -0.47847
   D179       2.66024   0.00000  -0.00010   0.00083   0.00074   2.66098
   D180      -2.49517   0.00001   0.00001   0.00081   0.00082  -2.49435
   D181       0.64431   0.00001   0.00003   0.00076   0.00079   0.64510
   D182       3.13649   0.00000   0.00008  -0.00029  -0.00020   3.13629
   D183      -0.01288   0.00000   0.00012  -0.00043  -0.00031  -0.01319
   D184      -0.00299   0.00000   0.00006  -0.00023  -0.00018  -0.00317
   D185       3.13082   0.00000   0.00009  -0.00038  -0.00028   3.13054
   D186      -3.13612   0.00000  -0.00007   0.00023   0.00016  -3.13596
   D187       0.00580   0.00000  -0.00008   0.00024   0.00016   0.00596
   D188       0.00336   0.00000  -0.00005   0.00018   0.00014   0.00349
   D189      -3.13790   0.00000  -0.00006   0.00019   0.00013  -3.13777
   D190       0.00032   0.00000  -0.00003   0.00011   0.00009   0.00040
   D191       3.14088   0.00000  -0.00003   0.00010   0.00007   3.14095
   D192      -3.13345   0.00000  -0.00006   0.00025   0.00019  -3.13326
   D193       0.00711   0.00000  -0.00006   0.00024   0.00018   0.00729
   D194       0.00200   0.00000  -0.00002   0.00006   0.00004   0.00205
   D195      -3.14049   0.00000  -0.00001   0.00003   0.00002  -3.14047
   D196      -3.13856   0.00000  -0.00001   0.00007   0.00006  -3.13850
   D197       0.00213   0.00000  -0.00001   0.00005   0.00004   0.00217
   D198      -0.00164   0.00000   0.00003  -0.00011  -0.00009  -0.00173
   D199       3.13993   0.00000   0.00002  -0.00014  -0.00011   3.13982
   D200       3.14086   0.00000   0.00002  -0.00008  -0.00006   3.14079
   D201      -0.00076   0.00000   0.00002  -0.00011  -0.00009  -0.00085
   D202      -0.00105   0.00000   0.00001  -0.00001   0.00000  -0.00105
   D203       3.14021   0.00000   0.00002  -0.00002   0.00000   3.14021
   D204       3.14057   0.00000   0.00001   0.00001   0.00002   3.14059
   D205      -0.00136   0.00000   0.00002   0.00001   0.00003  -0.00133
   D206       0.58302   0.00007  -0.00135   0.00218   0.00083   0.58385
   D207      -2.60204  -0.00058  -0.00157   0.00297   0.00139  -2.60065
   D208       3.00930   0.00049  -0.00048   0.00173   0.00125   3.01056
   D209      -0.17576  -0.00016  -0.00070   0.00252   0.00181  -0.17395
   D210       3.08942   0.00113   0.00023   0.00183   0.00206   3.09148
   D211      -0.09206   0.00053   0.00004   0.00254   0.00258  -0.08948
   D212      -1.14848  -0.00004   0.00093  -0.00052   0.00041  -1.14807
   D213       3.03503  -0.00007   0.00095  -0.00078   0.00018   3.03521
   D214       1.01085   0.00027   0.00083  -0.00046   0.00038   1.01123
   D215      -2.05017   0.00016   0.00282   0.00142   0.00424  -2.04593
   D216       1.07224   0.00039   0.00291  -0.00096   0.00195   1.07419
   D217      -0.09113   0.00014   0.00273   0.00126   0.00399  -0.08714
   D218       3.03128   0.00037   0.00282  -0.00112   0.00170   3.03299
   D219       2.11940  -0.00024   0.00286   0.00125   0.00411   2.12351
   D220      -1.04137  -0.00001   0.00296  -0.00113   0.00183  -1.03955
   D221      -3.14099   0.00013  -0.00105  -0.00247  -0.00353   3.13867
   D222      -0.00710   0.00006   0.00012  -0.00381  -0.00369  -0.01079
   D223       0.01826  -0.00008  -0.00114  -0.00029  -0.00143   0.01683
   D224      -3.13104  -0.00016   0.00003  -0.00163  -0.00160  -3.13264
   D225       3.13498  -0.00010   0.00100   0.00250   0.00350   3.13849
   D226      -0.02213   0.00008   0.00108   0.00057   0.00165  -0.02049
   D227      -0.00157   0.00003   0.00053  -0.00028   0.00025  -0.00133
   D228      -3.13624   0.00010  -0.00052   0.00092   0.00040  -3.13584
   D229      -0.01623   0.00003   0.00035   0.00074   0.00109  -0.01514
   D230      -3.11612  -0.00015  -0.00019  -0.00066  -0.00085  -3.11697
   D231       0.02255  -0.00007  -0.00084  -0.00077  -0.00161   0.02094
   D232       3.12414   0.00010  -0.00032   0.00056   0.00024   3.12438
   D233      -1.00144  -0.00001  -0.00134  -0.00135  -0.00270  -1.00414
   D234       1.08580  -0.00001  -0.00129  -0.00128  -0.00257   1.08323
   D235      -3.09254   0.00000  -0.00096  -0.00205  -0.00301  -3.09555
   D236       3.11732   0.00001  -0.00135  -0.00124  -0.00259   3.11473
   D237      -1.07863   0.00001  -0.00129  -0.00117  -0.00246  -1.08109
   D238       1.02622   0.00001  -0.00096  -0.00194  -0.00291   1.02332
   D239       1.04593   0.00001  -0.00128  -0.00155  -0.00283   1.04310
   D240       3.13316   0.00001  -0.00122  -0.00148  -0.00270   3.13046
   D241      -1.04517   0.00001  -0.00089  -0.00225  -0.00314  -1.04832
   D242       2.98563   0.00002  -0.00033   0.00327   0.00294   2.98857
   D243      -1.22502   0.00004  -0.00036   0.00326   0.00289  -1.22212
   D244       0.90490   0.00003  -0.00033   0.00348   0.00314   0.90804
   D245      -1.10908  -0.00003  -0.00025   0.00285   0.00260  -1.10648
   D246       0.96346   0.00000  -0.00028   0.00284   0.00255   0.96601
   D247       3.09337  -0.00001  -0.00025   0.00306   0.00280   3.09617
   D248       0.96032   0.00001  -0.00035   0.00324   0.00290   0.96322
   D249       3.03286   0.00003  -0.00037   0.00323   0.00285   3.03571
   D250      -1.12041   0.00002  -0.00034   0.00345   0.00310  -1.11731
   D251       0.00112   0.00002   0.00019   0.00035   0.00053   0.00166
   D252       3.13572   0.00000   0.00002  -0.00004  -0.00002   3.13571
         Item               Value     Threshold  Converged?
 Maximum Force            0.001725     0.000450     NO 
 RMS     Force            0.000178     0.000300     YES
 Maximum Displacement     0.030008     0.001800     NO 
 RMS     Displacement     0.006188     0.001200     NO 
 Predicted change in Energy=-7.318969D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.793423   -1.988960    0.996129
      2          6           0       -9.340071   -1.016086   -0.096689
      3          6           0      -10.138532    0.290584   -0.062289
      4          6           0       -7.875623   -0.736057    0.030670
      5          7           0       -6.947809   -1.007767   -0.855205
      6          6           0       -5.654202   -0.615651   -0.420814
      7          6           0       -4.501126   -0.888576   -1.345405
      8          7           0       -3.879253    0.342890   -1.895502
      9          6           0       -4.735450    1.060410   -2.880866
     10          6           0       -3.064928    1.179143   -1.086555
     11          8           0       -2.859945    2.354629   -1.368695
     12          7           0       -2.442114    0.588859    0.053009
     13          6           0       -1.306373    1.338250    0.636635
     14          6           0       -0.016359    1.067459   -0.167318
     15          8           0        0.230930   -0.016173   -0.692022
     16          7           0        0.872838    2.127090   -0.256195
     17          6           0        2.172087    2.000215   -0.972957
     18          6           0        2.495208    3.323795   -1.701210
     19          6           0        2.608996    4.518835   -0.795494
     20          6           0        1.494806    5.346526   -0.582936
     21          6           0        1.596107    6.457069    0.258864
     22          6           0        2.807109    6.752193    0.892779
     23          6           0        3.920754    5.934642    0.676028
     24          6           0        3.825590    4.822983   -0.165456
     25          6           0        3.290095    1.581750    0.005800
     26          6           0        3.094909    0.143028    0.494893
     27          8           0        2.577269    0.198458    1.842104
     28          6           0        4.408468   -0.677433    0.660330
     29          6           0        5.172208   -0.797418   -0.668962
     30          6           0        6.543358   -1.381670   -0.469869
     31          6           0        6.750012   -2.759100   -0.641236
     32          6           0        8.024523   -3.302096   -0.462793
     33          6           0        9.098747   -2.477136   -0.112636
     34          6           0        8.893644   -1.105002    0.061301
     35          6           0        7.620693   -0.555493   -0.115395
     36          7           0        4.059821   -2.023728    1.216396
     37          6           0        3.221399   -2.851660    0.465669
     38          8           0        3.134404   -2.955107   -0.747520
     39          8           0        2.472804   -3.645785    1.325400
     40          6           0        1.493687   -4.526841    0.686818
     41          6           0        0.436627   -3.728697    0.035412
     42          6           0       -0.907915   -3.668154    0.284186
     43          7           0       -1.633566   -2.782332   -0.538640
     44          6           0       -0.846113   -2.172061   -1.406259
     45         16           0        0.847109   -2.625046   -1.257240
     46          6           0       -1.137286    0.930561    2.129795
     47          6           0       -0.693225   -0.523236    2.296347
     48          6           0       -0.162915    1.880296    2.830735
     49          6           0       -5.606518   -0.033478    0.813665
     50         16           0       -7.203801    0.045414    1.488373
     51          1           0      -10.839186   -2.282939    0.847598
     52          1           0       -9.191334   -2.906484    0.990824
     53          1           0       -9.719437   -1.553154    1.999476
     54          1           0       -9.508824   -1.506794   -1.098061
     55          1           0      -10.067684    0.797488    0.907400
     56          1           0       -9.788623    0.994773   -0.827560
     57          1           0      -11.202141    0.103051   -0.251522
     58          1           0       -3.729061   -1.510045   -0.822890
     59          1           0       -4.841264   -1.513771   -2.211287
     60          1           0       -4.840404    0.431691   -3.780048
     61          1           0       -4.258639    2.014269   -3.177663
     62          1           0       -5.739690    1.286084   -2.486536
     63          1           0       -2.319633   -0.434330    0.068259
     64          1           0       -1.564986    2.437017    0.583514
     65          1           0        0.701220    3.008420    0.224763
     66          1           0        2.051892    1.192197   -1.753075
     67          1           0        1.712342    3.505352   -2.471747
     68          1           0        3.432459    3.193301   -2.281867
     69          1           0        0.550926    5.133841   -1.084782
     70          1           0        0.728628    7.096919    0.417461
     71          1           0        2.884011    7.617446    1.547983
     72          1           0        4.867362    6.165814    1.162866
     73          1           0        4.700001    4.198409   -0.334045
     74          1           0        3.314031    2.259460    0.886495
     75          1           0        4.275043    1.703459   -0.485544
     76          1           0        2.367449   -0.407658   -0.155968
     77          1           0        1.589018    0.070688    1.834105
     78          1           0        5.057961   -0.185004    1.434576
     79          1           0        4.587331   -1.420647   -1.389539
     80          1           0        5.244821    0.202276   -1.146724
     81          1           0        5.910458   -3.402725   -0.906617
     82          1           0        8.181004   -4.371288   -0.595996
     83          1           0       10.090246   -2.902246    0.024674
     84          1           0        9.727707   -0.461644    0.335349
     85          1           0        7.469556    0.511775    0.022976
     86          1           0        3.884215   -2.009858    2.231407
     87          1           0        1.136740   -5.107542    1.561242
     88          1           0        2.031402   -5.186912   -0.024230
     89          1           0       -1.461551   -4.226820    1.030966
     90          1           0       -1.171880   -1.429229   -2.129027
     91          1           0       -2.147926    1.045375    2.605630
     92          1           0       -1.392878   -1.226704    1.823827
     93          1           0        0.292874   -0.717717    1.841082
     94          1           0       -0.626474   -0.799082    3.355277
     95          1           0       -0.155308    1.699794    3.913852
     96          1           0        0.875617    1.748708    2.490308
     97          1           0       -0.432560    2.932049    2.688552
     98          1           0       -4.744688    0.346204    1.339441
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0823323      0.0286812      0.0232033
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3658.2335736668 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258332632396     A.U. after   15 cycles
             Convg  =    0.6531D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000007293   -0.000003931    0.000009622
      2        6           0.000001455   -0.000002531    0.000003394
      3        6           0.000008914   -0.000000967   -0.000002718
      4        6          -0.000032137    0.000036498   -0.000050481
      5        7           0.000023975    0.000011331   -0.000000507
      6        6           0.000031721    0.000037961    0.000022257
      7        6          -0.000005560   -0.000009522    0.000024066
      8        7          -0.000017130   -0.000009484    0.000020906
      9        6          -0.000022471   -0.000006398   -0.000005579
     10        6           0.000068614    0.000023523   -0.000114024
     11        8          -0.000016202   -0.000021878   -0.000007219
     12        7           0.000012322    0.000130063    0.000155984
     13        6          -0.000071946   -0.000066615    0.000044865
     14        6          -0.000053059    0.000151763    0.000015875
     15        8           0.000058415   -0.000031143   -0.000016079
     16        7          -0.000028615   -0.000076822    0.000113118
     17        6          -0.000055270    0.000026570    0.000005478
     18        6           0.000010912   -0.000043820   -0.000009495
     19        6          -0.000002171    0.000021602   -0.000012707
     20        6          -0.000007429    0.000009255   -0.000000176
     21        6          -0.000002958   -0.000013756   -0.000000015
     22        6           0.000009016    0.000001949   -0.000003587
     23        6          -0.000007459    0.000013773    0.000000820
     24        6           0.000003301   -0.000022051    0.000006090
     25        6           0.000023894    0.000104736   -0.000044352
     26        6           0.000062657    0.000006790    0.000000448
     27        8           0.000070531    0.000169840    0.000169629
     28        6          -0.000228485    0.000020364    0.000073159
     29        6          -0.000007996   -0.000082386   -0.000053700
     30        6           0.000018939    0.000002962   -0.000002931
     31        6          -0.000033986   -0.000012560    0.000012746
     32        6           0.000030594    0.000006794   -0.000007062
     33        6          -0.000001478   -0.000019726   -0.000004972
     34        6          -0.000021025    0.000006456    0.000008574
     35        6           0.000021067    0.000015228    0.000004217
     36        7           0.000324204    0.000181936    0.000019094
     37        6          -0.000032931   -0.000517038    0.000301410
     38        8          -0.000115848    0.000167563   -0.000131137
     39        8          -0.000132073    0.000001520   -0.000078719
     40        6           0.000012783    0.000086030   -0.000268277
     41        6           0.000106349   -0.000005210    0.000397246
     42        6          -0.000058879   -0.000018634   -0.000037571
     43        7           0.000041579   -0.000085574   -0.000056211
     44        6           0.000062232   -0.000042918    0.000058462
     45       16           0.000046661    0.000134339   -0.000258292
     46        6           0.000052489   -0.000021633   -0.000020641
     47        6           0.000059152    0.000035024   -0.000089786
     48        6          -0.000015259    0.000010525    0.000014017
     49        6          -0.000054787   -0.000001509   -0.000016781
     50       16           0.000042090   -0.000049624    0.000039738
     51        1           0.000009414   -0.000003882    0.000004574
     52        1           0.000002298    0.000011537   -0.000003328
     53        1          -0.000008919    0.000004044   -0.000001788
     54        1          -0.000004133    0.000003412    0.000006697
     55        1          -0.000002529    0.000000522    0.000001394
     56        1           0.000003912   -0.000004941   -0.000001638
     57        1          -0.000005586   -0.000000155   -0.000007978
     58        1           0.000009513    0.000002966   -0.000030525
     59        1           0.000004682   -0.000038011    0.000016836
     60        1          -0.000002522    0.000005819   -0.000009085
     61        1           0.000008444   -0.000001513    0.000004684
     62        1           0.000012409    0.000015896    0.000001017
     63        1           0.000004301   -0.000030207   -0.000062582
     64        1           0.000003164   -0.000018906   -0.000039954
     65        1           0.000005713    0.000023535   -0.000016229
     66        1          -0.000015667   -0.000030972   -0.000043736
     67        1           0.000002227    0.000013772    0.000005554
     68        1           0.000009589    0.000000736    0.000003503
     69        1           0.000002838    0.000000824   -0.000002072
     70        1           0.000001749    0.000002433    0.000001222
     71        1          -0.000003648    0.000001586    0.000000777
     72        1           0.000000436   -0.000000843   -0.000000308
     73        1          -0.000004517    0.000002905   -0.000001083
     74        1           0.000002092   -0.000067624   -0.000007835
     75        1          -0.000013593   -0.000001788    0.000027281
     76        1          -0.000020159   -0.000012915    0.000019820
     77        1          -0.000019033   -0.000127236   -0.000073426
     78        1          -0.000054421   -0.000007124   -0.000050562
     79        1          -0.000008721   -0.000007018   -0.000028979
     80        1           0.000007599    0.000032706    0.000007155
     81        1          -0.000002844    0.000006850   -0.000010855
     82        1          -0.000002242    0.000000768   -0.000001208
     83        1           0.000000695    0.000000994   -0.000001461
     84        1           0.000000171   -0.000002618   -0.000000543
     85        1          -0.000003454   -0.000005512   -0.000003037
     86        1           0.000003935    0.000034452   -0.000090945
     87        1           0.000022047   -0.000048204    0.000095101
     88        1           0.000013079   -0.000048597    0.000005573
     89        1          -0.000021215    0.000081070   -0.000021853
     90        1          -0.000023897    0.000043632    0.000009673
     91        1          -0.000019069   -0.000038963    0.000004306
     92        1          -0.000013087   -0.000107771    0.000003692
     93        1          -0.000090680   -0.000018934    0.000008920
     94        1          -0.000013998    0.000050414    0.000084704
     95        1           0.000018427    0.000010936   -0.000026728
     96        1           0.000040665    0.000010308   -0.000019426
     97        1           0.000000517    0.000010013    0.000015169
     98        1          -0.000007403    0.000002938    0.000001317
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000517038 RMS     0.000068595

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000657580 RMS     0.000058743
 Search for a local minimum.
 Step number  62 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   56   57   58   59   60
                                                     61   62
 DE= -8.81D-06 DEPred=-7.32D-06 R= 1.20D+00
 SS=  1.41D+00  RLast= 3.05D-02 DXNew= 1.2520D+00 9.1520D-02
 Trust test= 1.20D+00 RLast= 3.05D-02 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00092   0.00164   0.00217   0.00238   0.00286
     Eigenvalues ---    0.00336   0.00389   0.00493   0.00566   0.00640
     Eigenvalues ---    0.00688   0.00750   0.00813   0.00896   0.00961
     Eigenvalues ---    0.00981   0.01089   0.01099   0.01180   0.01290
     Eigenvalues ---    0.01328   0.01385   0.01421   0.01441   0.01507
     Eigenvalues ---    0.01615   0.01633   0.01716   0.01754   0.01771
     Eigenvalues ---    0.01858   0.01927   0.02091   0.02103   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02236   0.02258   0.02268
     Eigenvalues ---    0.02290   0.02329   0.02373   0.02404   0.02409
     Eigenvalues ---    0.02414   0.02447   0.02482   0.02485   0.02492
     Eigenvalues ---    0.02527   0.02528   0.02577   0.02675   0.02699
     Eigenvalues ---    0.02828   0.02985   0.03317   0.03443   0.03830
     Eigenvalues ---    0.04013   0.04110   0.04138   0.04190   0.04355
     Eigenvalues ---    0.04570   0.04684   0.04934   0.04963   0.05080
     Eigenvalues ---    0.05156   0.05200   0.05246   0.05349   0.05405
     Eigenvalues ---    0.05446   0.05483   0.05519   0.05577   0.05611
     Eigenvalues ---    0.05622   0.05723   0.05775   0.05849   0.05865
     Eigenvalues ---    0.05874   0.05986   0.06051   0.06103   0.06285
     Eigenvalues ---    0.06499   0.06736   0.06912   0.07055   0.07089
     Eigenvalues ---    0.07523   0.07957   0.08400   0.08588   0.08829
     Eigenvalues ---    0.09444   0.09802   0.09878   0.10321   0.11253
     Eigenvalues ---    0.12097   0.12901   0.13129   0.13249   0.13465
     Eigenvalues ---    0.13821   0.13971   0.14462   0.15468   0.15639
     Eigenvalues ---    0.15754   0.15866   0.15960   0.15963   0.15979
     Eigenvalues ---    0.15985   0.15995   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16001   0.16002   0.16004   0.16010   0.16013
     Eigenvalues ---    0.16033   0.16046   0.16075   0.16101   0.16116
     Eigenvalues ---    0.16249   0.16319   0.16547   0.16879   0.17192
     Eigenvalues ---    0.17341   0.17942   0.18037   0.18556   0.19055
     Eigenvalues ---    0.19648   0.20201   0.20375   0.20882   0.21724
     Eigenvalues ---    0.21840   0.22000   0.22000   0.22001   0.22032
     Eigenvalues ---    0.22172   0.22326   0.22585   0.23114   0.23303
     Eigenvalues ---    0.23427   0.23510   0.23681   0.23705   0.24116
     Eigenvalues ---    0.24313   0.24710   0.24766   0.24945   0.25004
     Eigenvalues ---    0.25056   0.25312   0.25560   0.25700   0.26820
     Eigenvalues ---    0.28176   0.29126   0.29535   0.29798   0.29863
     Eigenvalues ---    0.29924   0.30114   0.30309   0.30442   0.30575
     Eigenvalues ---    0.30677   0.30843   0.31259   0.31391   0.31429
     Eigenvalues ---    0.31465   0.31504   0.31661   0.31727   0.31782
     Eigenvalues ---    0.31977   0.32152   0.32176   0.32352   0.32566
     Eigenvalues ---    0.32635   0.32676   0.32766   0.32791   0.32853
     Eigenvalues ---    0.32911   0.32963   0.33002   0.33062   0.33129
     Eigenvalues ---    0.33170   0.33262   0.33411   0.33535   0.33590
     Eigenvalues ---    0.33672   0.33726   0.33758   0.33928   0.33967
     Eigenvalues ---    0.34048   0.34184   0.34239   0.34294   0.34411
     Eigenvalues ---    0.34457   0.34464   0.34541   0.34707   0.34732
     Eigenvalues ---    0.35529   0.36243   0.36312   0.36374   0.36484
     Eigenvalues ---    0.36629   0.36822   0.36948   0.37011   0.37160
     Eigenvalues ---    0.38395   0.38647   0.39313   0.40042   0.40482
     Eigenvalues ---    0.41091   0.41630   0.42513   0.42608   0.43279
     Eigenvalues ---    0.43363   0.43953   0.44175   0.44918   0.45269
     Eigenvalues ---    0.45720   0.46975   0.47512   0.48307   0.48370
     Eigenvalues ---    0.48546   0.48725   0.49060   0.49243   0.49861
     Eigenvalues ---    0.50343   0.50914   0.51235   0.51286   0.51466
     Eigenvalues ---    0.56396   0.58402   0.59076   0.60106   0.62431
     Eigenvalues ---    0.63355   0.65402   0.77256   0.79365   0.84897
     Eigenvalues ---    1.31653   1.81155   3.454021000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    62   61   60   59   58
 RFO step:  Lambda=-2.79206346D-06.
 DIIS coeffs:      1.40551     -0.18759     -0.16925     -0.07093      0.02226
 Iteration  1 RMS(Cart)=  0.01112014 RMS(Int)=  0.00004288
 Iteration  2 RMS(Cart)=  0.00010224 RMS(Int)=  0.00000030
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000030
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89459   0.00001  -0.00002  -0.00001  -0.00004   2.89455
    R2        2.07191   0.00001   0.00003   0.00005   0.00007   2.07198
    R3        2.07387   0.00000   0.00000  -0.00004  -0.00004   2.07384
    R4        2.07191  -0.00001  -0.00002   0.00000  -0.00002   2.07189
    R5        2.89450   0.00001  -0.00002  -0.00001  -0.00003   2.89447
    R6        2.82781   0.00000  -0.00002  -0.00005  -0.00007   2.82774
    R7        2.13130   0.00000   0.00001   0.00006   0.00007   2.13137
    R8        2.07205   0.00000  -0.00002   0.00002   0.00001   2.07206
    R9        2.07350   0.00000   0.00004   0.00003   0.00006   2.07357
   R10        2.07202   0.00000   0.00001   0.00001   0.00001   2.07204
   R11        2.47795  -0.00002   0.00000  -0.00013  -0.00013   2.47782
   R12        3.37354   0.00005   0.00002   0.00029   0.00031   3.37385
   R13        2.68306   0.00000   0.00001   0.00015   0.00016   2.68322
   R14        2.84022  -0.00001   0.00000  -0.00018  -0.00018   2.84004
   R15        2.58080  -0.00001   0.00001  -0.00017  -0.00016   2.58063
   R16        2.80664   0.00001   0.00003  -0.00005  -0.00002   2.80661
   R17        2.11728  -0.00003  -0.00005  -0.00024  -0.00029   2.11699
   R18        2.11811  -0.00004  -0.00005  -0.00016  -0.00020   2.11791
   R19        2.81490   0.00001  -0.00006  -0.00009  -0.00015   2.81475
   R20        2.68370  -0.00001  -0.00002  -0.00016  -0.00018   2.68352
   R21        2.08285   0.00001   0.00000   0.00000   0.00000   2.08285
   R22        2.09178   0.00000  -0.00004  -0.00002  -0.00006   2.09173
   R23        2.08292   0.00001   0.00004   0.00013   0.00016   2.08309
   R24        2.31704   0.00002  -0.00006  -0.00007  -0.00014   2.31691
   R25        2.69572   0.00010  -0.00007   0.00016   0.00010   2.69581
   R26        2.79789   0.00012  -0.00019   0.00007  -0.00012   2.79776
   R27        1.94757  -0.00006   0.00021   0.00004   0.00025   1.94782
   R28        2.91766   0.00000  -0.00015  -0.00003  -0.00019   2.91747
   R29        2.94235   0.00000  -0.00009   0.00000  -0.00009   2.94226
   R30        2.13547   0.00004  -0.00002   0.00003   0.00001   2.13548
   R31        2.32269  -0.00006  -0.00011  -0.00017  -0.00028   2.32241
   R32        2.61943   0.00005   0.00001   0.00026   0.00027   2.61970
   R33        2.81429   0.00002  -0.00012   0.00015   0.00003   2.81432
   R34        1.92485  -0.00002  -0.00006  -0.00005  -0.00012   1.92473
   R35        2.91938   0.00002   0.00007   0.00008   0.00014   2.91952
   R36        2.91718  -0.00006  -0.00011   0.00000  -0.00011   2.91707
   R37        2.13457  -0.00002   0.00005  -0.00001   0.00004   2.13461
   R38        2.84175  -0.00002   0.00003  -0.00002   0.00001   2.84176
   R39        2.10394   0.00000  -0.00003   0.00002   0.00000   2.10394
   R40        2.09805  -0.00001   0.00000  -0.00004  -0.00003   2.09802
   R41        2.65348   0.00000   0.00000  -0.00001  -0.00001   2.65347
   R42        2.65206   0.00001   0.00000   0.00005   0.00005   2.65211
   R43        2.64034   0.00001   0.00000   0.00004   0.00004   2.64038
   R44        2.05971   0.00000  -0.00001   0.00000  -0.00001   2.05970
   R45        2.64256   0.00000   0.00002  -0.00003  -0.00001   2.64255
   R46        2.05892   0.00000  -0.00001   0.00000  -0.00001   2.05891
   R47        2.64263   0.00000   0.00001   0.00003   0.00003   2.64266
   R48        2.05613   0.00000   0.00001   0.00000   0.00001   2.05614
   R49        2.64084  -0.00001   0.00000  -0.00004  -0.00004   2.64081
   R50        2.05843   0.00000   0.00000   0.00000   0.00000   2.05843
   R51        2.05547   0.00000   0.00000   0.00001   0.00000   2.05547
   R52        2.89519  -0.00003   0.00006   0.00024   0.00030   2.89549
   R53        2.10048   0.00006  -0.00010   0.00004  -0.00006   2.10041
   R54        2.09270   0.00000   0.00004   0.00017   0.00022   2.09292
   R55        2.72933   0.00008  -0.00001   0.00022   0.00020   2.72954
   R56        2.94334  -0.00001  -0.00001  -0.00014  -0.00015   2.94320
   R57        2.11790  -0.00002  -0.00001  -0.00010  -0.00010   2.11780
   R58        1.88313  -0.00008  -0.00003  -0.00019  -0.00022   1.88291
   R59        2.90595   0.00004   0.00004   0.00029   0.00033   2.90628
   R60        2.83035  -0.00007  -0.00017  -0.00045  -0.00062   2.82973
   R61        2.12439   0.00001   0.00004   0.00012   0.00017   2.12456
   R62        2.84153  -0.00001   0.00001  -0.00006  -0.00005   2.84148
   R63        2.11255   0.00000   0.00005   0.00001   0.00006   2.11261
   R64        2.09829  -0.00002  -0.00004   0.00005   0.00001   2.09830
   R65        2.65194   0.00000   0.00003   0.00005   0.00009   2.65203
   R66        2.65160   0.00000   0.00002  -0.00002   0.00000   2.65160
   R67        2.63958  -0.00002   0.00002  -0.00001   0.00001   2.63958
   R68        2.06104   0.00000  -0.00003  -0.00009  -0.00013   2.06092
   R69        2.64368   0.00001  -0.00001   0.00000  -0.00001   2.64367
   R70        2.05746   0.00000  -0.00001   0.00000  -0.00001   2.05745
   R71        2.64229  -0.00002   0.00003  -0.00002   0.00001   2.64230
   R72        2.05507   0.00000   0.00001   0.00001   0.00002   2.05509
   R73        2.64128   0.00001  -0.00003   0.00001  -0.00003   2.64126
   R74        2.05683   0.00000   0.00000   0.00001   0.00001   2.05684
   R75        2.05368   0.00000   0.00000   0.00001   0.00001   2.05369
   R76        2.64022  -0.00026  -0.00007  -0.00075  -0.00082   2.63940
   R77        1.94676  -0.00009   0.00001  -0.00043  -0.00041   1.94635
   R78        2.30678   0.00022  -0.00001   0.00010   0.00010   2.30688
   R79        2.62541  -0.00008  -0.00017  -0.00040  -0.00057   2.62484
   R80        2.76618   0.00016   0.00022   0.00036   0.00058   2.76676
   R81        2.78934   0.00007   0.00003  -0.00007  -0.00005   2.78930
   R82        2.09516   0.00009  -0.00053  -0.00025  -0.00078   2.09438
   R83        2.09617  -0.00004  -0.00002  -0.00013  -0.00015   2.09601
   R84        2.58647  -0.00002   0.00028   0.00019   0.00047   2.58694
   R85        3.30431   0.00022  -0.00077  -0.00046  -0.00123   3.30308
   R86        2.66464   0.00004  -0.00023  -0.00009  -0.00032   2.66432
   R87        2.04955  -0.00001  -0.00006  -0.00013  -0.00020   2.04935
   R88        2.49650  -0.00007   0.00009  -0.00013  -0.00005   2.49645
   R89        3.32420   0.00000  -0.00019   0.00002  -0.00017   3.32403
   R90        2.05304  -0.00002  -0.00007  -0.00014  -0.00021   2.05284
   R91        2.88977   0.00001  -0.00007  -0.00036  -0.00043   2.88934
   R92        2.89240  -0.00005   0.00015  -0.00005   0.00010   2.89250
   R93        2.12205  -0.00002   0.00013   0.00008   0.00021   2.12226
   R94        2.07668  -0.00011  -0.00012  -0.00033  -0.00046   2.07623
   R95        2.08512   0.00008  -0.00003   0.00009   0.00006   2.08518
   R96        2.07171   0.00006   0.00003   0.00008   0.00010   2.07181
   R97        2.07507  -0.00003   0.00008   0.00002   0.00010   2.07517
   R98        2.08021  -0.00004   0.00007   0.00005   0.00012   2.08033
   R99        2.06932  -0.00001   0.00000  -0.00004  -0.00005   2.06928
   R100       3.28006   0.00003   0.00004   0.00026   0.00030   3.28036
   R101       2.03823   0.00000  -0.00002   0.00003   0.00001   2.03824
    A1        1.93472   0.00001   0.00000   0.00000   0.00000   1.93472
    A2        1.94463   0.00000  -0.00005  -0.00003  -0.00008   1.94455
    A3        1.96109   0.00000  -0.00004   0.00001  -0.00002   1.96107
    A4        1.87387   0.00000   0.00002   0.00007   0.00009   1.87397
    A5        1.87016   0.00000   0.00000  -0.00013  -0.00012   1.87004
    A6        1.87520   0.00000   0.00006   0.00008   0.00014   1.87534
    A7        1.95144   0.00001   0.00001   0.00005   0.00006   1.95150
    A8        1.92600   0.00000   0.00002   0.00016   0.00018   1.92618
    A9        1.88896  -0.00001   0.00005  -0.00007  -0.00002   1.88894
   A10        1.92688  -0.00001  -0.00010  -0.00027  -0.00037   1.92651
   A11        1.88926   0.00000   0.00004   0.00010   0.00013   1.88939
   A12        1.87907   0.00001  -0.00003   0.00004   0.00002   1.87909
   A13        1.96120  -0.00001  -0.00005  -0.00008  -0.00013   1.96107
   A14        1.94506   0.00001  -0.00001   0.00001  -0.00001   1.94505
   A15        1.93466   0.00000   0.00004   0.00008   0.00012   1.93478
   A16        1.87496   0.00000  -0.00002  -0.00008  -0.00011   1.87485
   A17        1.86960   0.00000   0.00006   0.00003   0.00009   1.86968
   A18        1.87417  -0.00001  -0.00001   0.00005   0.00004   1.87421
   A19        2.20953   0.00001  -0.00004   0.00012   0.00008   2.20961
   A20        2.11730  -0.00003   0.00006  -0.00017  -0.00011   2.11719
   A21        1.95635   0.00002  -0.00002   0.00005   0.00003   1.95638
   A22        1.96140  -0.00002   0.00002  -0.00007  -0.00005   1.96136
   A23        2.04951   0.00003   0.00019   0.00024   0.00043   2.04994
   A24        2.01096   0.00003   0.00001   0.00013   0.00015   2.01111
   A25        2.22268  -0.00006  -0.00021  -0.00037  -0.00058   2.22211
   A26        1.98070   0.00004  -0.00028  -0.00028  -0.00056   1.98014
   A27        1.92037   0.00000   0.00003   0.00024   0.00027   1.92064
   A28        1.92166  -0.00001   0.00021   0.00014   0.00035   1.92201
   A29        1.92209  -0.00001  -0.00010  -0.00030  -0.00040   1.92169
   A30        1.87908  -0.00002   0.00013   0.00014   0.00027   1.87935
   A31        1.83381   0.00000   0.00003   0.00009   0.00012   1.83393
   A32        1.98639  -0.00001  -0.00009  -0.00014  -0.00024   1.98616
   A33        2.11456   0.00001  -0.00022   0.00002  -0.00020   2.11435
   A34        2.00727   0.00000   0.00002   0.00024   0.00026   2.00753
   A35        1.89613   0.00000  -0.00003   0.00008   0.00005   1.89618
   A36        1.92289   0.00000  -0.00003  -0.00004  -0.00006   1.92282
   A37        1.96671   0.00001   0.00003   0.00001   0.00004   1.96675
   A38        1.89001   0.00000   0.00008   0.00018   0.00026   1.89027
   A39        1.89852  -0.00001  -0.00010  -0.00020  -0.00031   1.89822
   A40        1.88804   0.00000   0.00005  -0.00002   0.00003   1.88807
   A41        2.12859   0.00003   0.00008   0.00023   0.00031   2.12890
   A42        2.05074  -0.00002  -0.00008  -0.00012  -0.00019   2.05054
   A43        2.10312  -0.00001  -0.00002  -0.00017  -0.00019   2.10292
   A44        2.02680  -0.00004   0.00001  -0.00025  -0.00024   2.02656
   A45        2.06522   0.00001   0.00004  -0.00019  -0.00015   2.06506
   A46        1.98833   0.00001   0.00009  -0.00031  -0.00022   1.98811
   A47        1.92506  -0.00005  -0.00032  -0.00027  -0.00059   1.92447
   A48        1.90582   0.00007  -0.00029   0.00028  -0.00001   1.90581
   A49        1.87345  -0.00001   0.00004   0.00005   0.00009   1.87354
   A50        1.94195  -0.00001   0.00020   0.00028   0.00048   1.94243
   A51        1.91481   0.00003   0.00029   0.00005   0.00034   1.91515
   A52        1.90131  -0.00003   0.00007  -0.00039  -0.00032   1.90098
   A53        2.14721  -0.00002  -0.00011   0.00006  -0.00005   2.14716
   A54        2.02116   0.00000   0.00020  -0.00063  -0.00043   2.02073
   A55        2.11476   0.00003  -0.00009   0.00057   0.00049   2.11524
   A56        2.12396  -0.00004   0.00010   0.00095   0.00105   2.12500
   A57        2.12126   0.00001  -0.00006  -0.00045  -0.00051   2.12074
   A58        2.03528   0.00003  -0.00001  -0.00039  -0.00040   2.03487
   A59        1.91385   0.00004  -0.00004  -0.00012  -0.00017   1.91368
   A60        1.92813  -0.00005   0.00013   0.00000   0.00013   1.92826
   A61        1.87602   0.00000   0.00010   0.00044   0.00054   1.87656
   A62        1.96022   0.00004  -0.00027  -0.00026  -0.00053   1.95969
   A63        1.88553  -0.00003   0.00002  -0.00023  -0.00021   1.88532
   A64        1.89762   0.00000   0.00007   0.00021   0.00028   1.89790
   A65        1.99628   0.00003   0.00005   0.00017   0.00022   1.99650
   A66        1.89536  -0.00002   0.00015   0.00011   0.00026   1.89562
   A67        1.89907  -0.00001  -0.00009  -0.00024  -0.00033   1.89874
   A68        1.91819   0.00000  -0.00005   0.00005   0.00000   1.91819
   A69        1.92253  -0.00001  -0.00004  -0.00004  -0.00008   1.92245
   A70        1.82431   0.00000  -0.00002  -0.00007  -0.00009   1.82421
   A71        2.09389   0.00000   0.00006   0.00011   0.00017   2.09406
   A72        2.10390   0.00000  -0.00004  -0.00011  -0.00016   2.10374
   A73        2.08537   0.00000  -0.00002   0.00000  -0.00002   2.08535
   A74        2.09692   0.00000   0.00001  -0.00001   0.00000   2.09693
   A75        2.09720   0.00000   0.00000   0.00003   0.00003   2.09723
   A76        2.08896   0.00000  -0.00001  -0.00002  -0.00003   2.08893
   A77        2.09862   0.00000   0.00000   0.00001   0.00000   2.09862
   A78        2.09065   0.00000   0.00000  -0.00002  -0.00002   2.09063
   A79        2.09391   0.00000   0.00000   0.00002   0.00002   2.09392
   A80        2.08979   0.00000  -0.00001   0.00000   0.00000   2.08978
   A81        2.09673   0.00000  -0.00001   0.00002   0.00001   2.09674
   A82        2.09666   0.00000   0.00002  -0.00002  -0.00001   2.09665
   A83        2.09920   0.00000   0.00000   0.00000   0.00000   2.09920
   A84        2.09291   0.00000  -0.00001  -0.00002  -0.00003   2.09288
   A85        2.09107   0.00000   0.00001   0.00002   0.00003   2.09110
   A86        2.09642   0.00000   0.00001   0.00000   0.00001   2.09643
   A87        2.09771   0.00000   0.00000  -0.00004  -0.00003   2.09767
   A88        2.08904   0.00000  -0.00002   0.00004   0.00002   2.08906
   A89        1.94411  -0.00013   0.00046   0.00010   0.00056   1.94467
   A90        1.93123   0.00006  -0.00004   0.00018   0.00014   1.93137
   A91        1.91033   0.00004  -0.00032  -0.00027  -0.00059   1.90974
   A92        1.89902   0.00003   0.00005   0.00029   0.00034   1.89937
   A93        1.93709   0.00005  -0.00036  -0.00049  -0.00085   1.93625
   A94        1.83940  -0.00003   0.00018   0.00020   0.00038   1.83978
   A95        1.88325   0.00002   0.00058   0.00110   0.00168   1.88493
   A96        2.00549   0.00000  -0.00012  -0.00004  -0.00016   2.00533
   A97        1.93769  -0.00001  -0.00015  -0.00046  -0.00061   1.93708
   A98        1.79610   0.00002  -0.00066  -0.00089  -0.00155   1.79455
   A99        1.90490  -0.00002   0.00000   0.00012   0.00012   1.90502
   A100       1.92865  -0.00002   0.00033   0.00020   0.00053   1.92918
   A101       1.92093   0.00003  -0.00008   0.00026   0.00018   1.92111
   A102       1.94780   0.00000   0.00046   0.00078   0.00124   1.94904
   A103       1.89295  -0.00023   0.00020  -0.00123  -0.00103   1.89193
   A104       1.90674   0.00010  -0.00022  -0.00022  -0.00044   1.90630
   A105       1.94594   0.00023  -0.00027   0.00023  -0.00003   1.94591
   A106       1.92047  -0.00010  -0.00014  -0.00039  -0.00053   1.91993
   A107       1.84681   0.00002  -0.00006   0.00080   0.00074   1.84755
   A108       1.94846  -0.00001  -0.00002  -0.00001  -0.00004   1.94842
   A109       1.91861   0.00003  -0.00002   0.00016   0.00013   1.91875
   A110       1.91152  -0.00001   0.00006  -0.00010  -0.00004   1.91149
   A111       1.92389   0.00000   0.00013   0.00031   0.00044   1.92433
   A112       1.92534   0.00000  -0.00009  -0.00011  -0.00020   1.92514
   A113       1.83257  -0.00002  -0.00006  -0.00026  -0.00031   1.83226
   A114       2.09380   0.00003   0.00004   0.00010   0.00014   2.09394
   A115       2.09994  -0.00002  -0.00001  -0.00005  -0.00006   2.09988
   A116       2.08944  -0.00001  -0.00003  -0.00005  -0.00008   2.08936
   A117       2.09477   0.00000   0.00001   0.00001   0.00002   2.09479
   A118       2.08931   0.00000   0.00006   0.00007   0.00012   2.08943
   A119       2.09908   0.00000  -0.00007  -0.00007  -0.00014   2.09894
   A120       2.09830   0.00001   0.00000   0.00002   0.00002   2.09832
   A121       2.09124   0.00000  -0.00002  -0.00001  -0.00003   2.09121
   A122       2.09365   0.00000   0.00002  -0.00001   0.00001   2.09366
   A123       2.09114   0.00000   0.00000  -0.00002  -0.00002   2.09112
   A124       2.09575   0.00000   0.00003   0.00003   0.00007   2.09582
   A125       2.09629   0.00000  -0.00003  -0.00002  -0.00005   2.09624
   A126       2.09865   0.00000   0.00000   0.00000   0.00000   2.09864
   A127       2.09320   0.00000  -0.00003  -0.00001  -0.00005   2.09316
   A128       2.09133   0.00000   0.00003   0.00002   0.00005   2.09138
   A129       2.09406   0.00001   0.00002   0.00005   0.00007   2.09413
   A130       2.09858   0.00000  -0.00009  -0.00004  -0.00013   2.09845
   A131       2.09054  -0.00001   0.00007  -0.00001   0.00006   2.09061
   A132       2.06333   0.00012  -0.00003   0.00026   0.00023   2.06356
   A133       1.97510  -0.00004  -0.00010   0.00099   0.00089   1.97599
   A134       2.02095  -0.00007   0.00004   0.00107   0.00111   2.02206
   A135       2.24851   0.00008   0.00003   0.00003   0.00006   2.24856
   A136       1.90664  -0.00015  -0.00009   0.00020   0.00011   1.90674
   A137       2.12725   0.00007   0.00007  -0.00021  -0.00014   2.12711
   A138       2.02028   0.00066   0.00023   0.00007   0.00031   2.02058
   A139       1.92418   0.00045   0.00011   0.00024   0.00035   1.92453
   A140       1.75843  -0.00024  -0.00027  -0.00091  -0.00118   1.75725
   A141       1.88974  -0.00012   0.00012   0.00006   0.00018   1.88992
   A142       1.98309  -0.00020   0.00014   0.00013   0.00028   1.98337
   A143       1.96712   0.00004   0.00000   0.00010   0.00010   1.96722
   A144       1.92832   0.00004  -0.00012   0.00027   0.00015   1.92847
   A145       2.27470  -0.00011  -0.00041  -0.00020  -0.00061   2.27409
   A146       2.09373   0.00023   0.00029   0.00012   0.00042   2.09415
   A147       1.91459  -0.00012   0.00010   0.00009   0.00018   1.91477
   A148       2.01226   0.00008  -0.00018  -0.00014  -0.00031   2.01195
   A149       2.21908  -0.00004  -0.00015  -0.00010  -0.00025   2.21883
   A150       2.05182  -0.00004   0.00032   0.00024   0.00056   2.05238
   A151       1.94624   0.00000   0.00006   0.00013   0.00019   1.94643
   A152       1.98139   0.00001  -0.00013  -0.00009  -0.00022   1.98116
   A153       2.18222   0.00000  -0.00008   0.00022   0.00013   2.18235
   A154       2.11888  -0.00001   0.00021  -0.00001   0.00020   2.11908
   A155       1.56999   0.00002   0.00014   0.00010   0.00024   1.57023
   A156       1.96591  -0.00002  -0.00015   0.00016   0.00001   1.96592
   A157       1.92392  -0.00001   0.00013  -0.00031  -0.00017   1.92375
   A158       1.85652   0.00002  -0.00016   0.00018   0.00002   1.85654
   A159       1.93389   0.00002  -0.00022  -0.00034  -0.00056   1.93333
   A160       1.88851   0.00002   0.00022   0.00023   0.00045   1.88897
   A161       1.89172  -0.00002   0.00020   0.00011   0.00031   1.89203
   A162       1.95720  -0.00004  -0.00001  -0.00001  -0.00003   1.95718
   A163       1.96291   0.00002  -0.00024   0.00009  -0.00015   1.96277
   A164       1.94130   0.00009  -0.00008   0.00039   0.00031   1.94162
   A165       1.85328   0.00002   0.00018   0.00017   0.00035   1.85363
   A166       1.86818  -0.00004   0.00032  -0.00022   0.00010   1.86828
   A167       1.87525  -0.00005  -0.00014  -0.00046  -0.00061   1.87465
   A168       1.93278   0.00000   0.00011   0.00006   0.00017   1.93294
   A169       1.96578  -0.00001  -0.00008  -0.00024  -0.00032   1.96546
   A170       1.96033  -0.00001   0.00001  -0.00010  -0.00009   1.96023
   A171       1.85340   0.00002  -0.00004   0.00030   0.00026   1.85366
   A172       1.86258   0.00000  -0.00014  -0.00011  -0.00025   1.86233
   A173       1.88281   0.00000   0.00014   0.00012   0.00026   1.88307
   A174       1.91624   0.00000  -0.00003  -0.00003  -0.00006   1.91617
   A175       2.23774   0.00000   0.00006   0.00025   0.00031   2.23805
   A176       2.12918   0.00001  -0.00003  -0.00022  -0.00025   2.12892
   A177       1.57980  -0.00002   0.00002  -0.00009  -0.00007   1.57974
    D1        1.09466   0.00000  -0.00104  -0.00150  -0.00253   1.09213
    D2       -3.03667  -0.00001  -0.00114  -0.00170  -0.00283  -3.03950
    D3       -0.98463  -0.00001  -0.00112  -0.00160  -0.00272  -0.98735
    D4       -3.10279   0.00000  -0.00104  -0.00143  -0.00247  -3.10526
    D5       -0.95093  -0.00001  -0.00114  -0.00163  -0.00277  -0.95370
    D6        1.10112  -0.00001  -0.00112  -0.00153  -0.00266   1.09846
    D7       -0.99736   0.00000  -0.00102  -0.00134  -0.00236  -0.99972
    D8        1.15450  -0.00001  -0.00112  -0.00154  -0.00266   1.15183
    D9       -3.07665  -0.00001  -0.00110  -0.00145  -0.00255  -3.07920
   D10        1.00595   0.00000   0.00011  -0.00010   0.00001   1.00595
   D11        3.11145   0.00000   0.00003  -0.00026  -0.00023   3.11122
   D12       -1.08538   0.00000   0.00004  -0.00014  -0.00010  -1.08548
   D13       -1.14541   0.00000   0.00014  -0.00014   0.00000  -1.14542
   D14        0.96009   0.00000   0.00007  -0.00030  -0.00024   0.95985
   D15        3.04644   0.00000   0.00007  -0.00018  -0.00011   3.04633
   D16        3.08505   0.00000   0.00020  -0.00010   0.00011   3.08516
   D17       -1.09263   0.00000   0.00013  -0.00026  -0.00013  -1.09276
   D18        0.99372   0.00000   0.00013  -0.00013   0.00000   0.99372
   D19        2.05809  -0.00001   0.00048   0.00246   0.00294   2.06103
   D20       -1.08516  -0.00001   0.00024   0.00155   0.00179  -1.08337
   D21       -2.05902   0.00000   0.00044   0.00244   0.00288  -2.05613
   D22        1.08092   0.00000   0.00020   0.00153   0.00174   1.08265
   D23       -0.00003   0.00000   0.00042   0.00243   0.00285   0.00281
   D24        3.13990   0.00000   0.00018   0.00152   0.00170  -3.14159
   D25       -3.13830   0.00000  -0.00006  -0.00039  -0.00045  -3.13875
   D26        0.00482   0.00000   0.00016   0.00044   0.00060   0.00543
   D27        3.13920   0.00000   0.00009   0.00033   0.00042   3.13962
   D28       -0.00383   0.00000  -0.00011  -0.00046  -0.00057  -0.00441
   D29        3.13034   0.00000  -0.00019   0.00009  -0.00010   3.13024
   D30       -0.00368   0.00000  -0.00014  -0.00019  -0.00033  -0.00401
   D31        1.96624  -0.00002  -0.00432  -0.01064  -0.01496   1.95128
   D32       -2.15447  -0.00001  -0.00463  -0.01105  -0.01568  -2.17016
   D33       -0.14128  -0.00001  -0.00445  -0.01073  -0.01518  -0.15646
   D34       -1.18397  -0.00001  -0.00437  -0.01032  -0.01469  -1.19866
   D35        0.97850  -0.00001  -0.00469  -0.01073  -0.01542   0.96308
   D36        2.99170  -0.00001  -0.00451  -0.01041  -0.01491   2.97678
   D37        0.00067   0.00000   0.00005  -0.00017  -0.00012   0.00055
   D38       -3.13278   0.00000   0.00027   0.00081   0.00108  -3.13170
   D39       -3.13247   0.00000   0.00010  -0.00048  -0.00038  -3.13285
   D40        0.01727   0.00000   0.00032   0.00049   0.00081   0.01808
   D41       -1.22753  -0.00001  -0.00027  -0.00159  -0.00186  -1.22940
   D42        1.28190   0.00000  -0.00073  -0.00134  -0.00207   1.27984
   D43        2.89412  -0.00002  -0.00002  -0.00148  -0.00150   2.89262
   D44       -0.87963  -0.00001  -0.00048  -0.00122  -0.00170  -0.88133
   D45        0.90381  -0.00001  -0.00008  -0.00150  -0.00159   0.90223
   D46       -2.86993   0.00000  -0.00054  -0.00124  -0.00179  -2.87172
   D47       -1.16811   0.00000  -0.00032  -0.00085  -0.00117  -1.16928
   D48        3.04730   0.00000  -0.00038  -0.00110  -0.00148   3.04582
   D49        0.93693  -0.00001  -0.00045  -0.00105  -0.00150   0.93543
   D50        2.56542  -0.00001   0.00020  -0.00102  -0.00082   2.56460
   D51        0.49765  -0.00001   0.00014  -0.00127  -0.00113   0.49652
   D52       -1.61272  -0.00002   0.00007  -0.00122  -0.00115  -1.61387
   D53       -2.76920  -0.00002   0.00142  -0.00161  -0.00019  -2.76939
   D54        0.41371  -0.00001   0.00187   0.00006   0.00192   0.41563
   D55       -0.26675  -0.00001   0.00091  -0.00148  -0.00056  -0.26731
   D56        2.91615   0.00000   0.00136   0.00019   0.00155   2.91771
   D57        2.83441  -0.00002   0.00054  -0.00231  -0.00178   2.83264
   D58        0.37290   0.00000   0.00029  -0.00110  -0.00080   0.37210
   D59       -0.26650  -0.00001   0.00098  -0.00068   0.00029  -0.26621
   D60       -2.72801   0.00000   0.00073   0.00053   0.00127  -2.72674
   D61       -1.41415  -0.00001  -0.00130  -0.00497  -0.00627  -1.42043
   D62        2.72989  -0.00001  -0.00116  -0.00533  -0.00649   2.72340
   D63        0.67127  -0.00001  -0.00111  -0.00504  -0.00615   0.66512
   D64        1.07695  -0.00002  -0.00109  -0.00609  -0.00718   1.06977
   D65       -1.06219  -0.00003  -0.00095  -0.00645  -0.00739  -1.06958
   D66       -3.12081  -0.00002  -0.00089  -0.00616  -0.00705  -3.12786
   D67       -0.59947   0.00000   0.00144   0.00225   0.00368  -0.59579
   D68        2.55393   0.00001   0.00138   0.00148   0.00286   2.55679
   D69        1.51832   0.00005   0.00099   0.00261   0.00359   1.52191
   D70       -1.61146   0.00006   0.00094   0.00183   0.00277  -1.60869
   D71       -2.65965   0.00003   0.00140   0.00233   0.00373  -2.65592
   D72        0.49376   0.00004   0.00135   0.00156   0.00290   0.49666
   D73        1.16752   0.00002   0.00079   0.00279   0.00358   1.17110
   D74       -2.94585   0.00002   0.00050   0.00223   0.00272  -2.94312
   D75       -0.89857  -0.00001   0.00071   0.00230   0.00301  -0.89555
   D76       -0.96147   0.00004   0.00125   0.00276   0.00401  -0.95745
   D77        1.20835   0.00004   0.00096   0.00220   0.00316   1.21150
   D78       -3.02755   0.00002   0.00117   0.00227   0.00344  -3.02411
   D79       -3.07461   0.00003   0.00072   0.00278   0.00350  -3.07111
   D80       -0.90480   0.00003   0.00042   0.00222   0.00264  -0.90216
   D81        1.14248   0.00001   0.00064   0.00229   0.00293   1.14541
   D82        3.11624   0.00002   0.00025   0.00184   0.00209   3.11833
   D83        0.05618   0.00000  -0.00022   0.00029   0.00008   0.05626
   D84       -0.01378   0.00002   0.00020   0.00108   0.00128  -0.01249
   D85       -3.07384   0.00001  -0.00027  -0.00046  -0.00073  -3.07456
   D86        2.50141  -0.00001  -0.00068  -0.00234  -0.00302   2.49839
   D87       -1.61214   0.00003  -0.00096  -0.00276  -0.00372  -1.61586
   D88        0.45580   0.00000  -0.00074  -0.00225  -0.00299   0.45282
   D89       -0.71790   0.00000  -0.00023  -0.00088  -0.00111  -0.71901
   D90        1.45173   0.00004  -0.00052  -0.00130  -0.00181   1.44992
   D91       -2.76351   0.00001  -0.00030  -0.00078  -0.00108  -2.76459
   D92        1.04516   0.00000   0.00023   0.00098   0.00120   1.04636
   D93       -1.10422  -0.00001   0.00015   0.00071   0.00085  -1.10336
   D94       -3.08015   0.00000   0.00014   0.00086   0.00100  -3.07915
   D95       -1.10567   0.00001   0.00028   0.00125   0.00153  -1.10415
   D96        3.02814   0.00000   0.00020   0.00098   0.00118   3.02931
   D97        1.05221   0.00001   0.00020   0.00113   0.00132   1.05353
   D98        3.08480   0.00000   0.00034   0.00130   0.00164   3.08644
   D99        0.93543   0.00000   0.00026   0.00103   0.00129   0.93671
   D100      -1.04051   0.00000   0.00025   0.00118   0.00144  -1.03907
   D101       1.20459  -0.00006  -0.00180  -0.00382  -0.00562   1.19897
   D102      -0.91026  -0.00004  -0.00215  -0.00438  -0.00654  -0.91679
   D103      -2.92987  -0.00006  -0.00216  -0.00457  -0.00673  -2.93660
   D104      -2.93580  -0.00002  -0.00195  -0.00417  -0.00612  -2.94191
   D105       1.23254   0.00000  -0.00230  -0.00473  -0.00703   1.22551
   D106      -0.78707  -0.00002  -0.00231  -0.00491  -0.00723  -0.79430
   D107      -0.85013  -0.00003  -0.00204  -0.00448  -0.00652  -0.85665
   D108      -2.96498  -0.00001  -0.00239  -0.00504  -0.00743  -2.97241
   D109       1.29859  -0.00003  -0.00240  -0.00523  -0.00763   1.29096
   D110      -1.64882   0.00000   0.00083   0.00125   0.00209  -1.64673
   D111       1.50139   0.00000   0.00096   0.00143   0.00239   1.50378
   D112       0.48818   0.00000   0.00103   0.00156   0.00259   0.49077
   D113      -2.64480   0.00000   0.00115   0.00173   0.00289  -2.64191
   D114       2.48913   0.00000   0.00095   0.00148   0.00243   2.49156
   D115      -0.64385   0.00000   0.00107   0.00166   0.00273  -0.64112
   D116       3.14052   0.00000   0.00003   0.00012   0.00016   3.14067
   D117      -0.01617   0.00000  -0.00008  -0.00010  -0.00017  -0.01635
   D118      -0.00960   0.00000  -0.00009  -0.00005  -0.00014  -0.00974
   D119       3.11690   0.00000  -0.00020  -0.00027  -0.00047   3.11643
   D120      -3.13994   0.00000  -0.00007  -0.00015  -0.00022  -3.14016
   D121       0.00780   0.00000  -0.00013  -0.00024  -0.00037   0.00743
   D122       0.01022   0.00000   0.00005   0.00002   0.00008   0.01030
   D123      -3.12522   0.00000  -0.00001  -0.00006  -0.00007  -3.12529
   D124       0.00172   0.00000   0.00007   0.00004   0.00011   0.00183
   D125       3.13865   0.00000   0.00004   0.00001   0.00004   3.13869
   D126      -3.12484   0.00000   0.00018   0.00026   0.00044  -3.12440
   D127       0.01208   0.00000   0.00015   0.00022   0.00037   0.01245
   D128       0.00557   0.00000   0.00000  -0.00001  -0.00001   0.00556
   D129      -3.14156   0.00000  -0.00002  -0.00003  -0.00004   3.14158
   D130      -3.13134   0.00000   0.00003   0.00003   0.00006  -3.13128
   D131       0.00471   0.00000   0.00001   0.00001   0.00003   0.00474
   D132      -0.00494   0.00000  -0.00004  -0.00002  -0.00006  -0.00500
   D133       3.13416   0.00000  -0.00003  -0.00004  -0.00006   3.13410
   D134      -3.14099   0.00000  -0.00002   0.00000  -0.00002  -3.14102
   D135      -0.00189   0.00000  -0.00001  -0.00002  -0.00003  -0.00192
   D136      -0.00298   0.00000   0.00001   0.00001   0.00002  -0.00296
   D137       3.13249   0.00000   0.00007   0.00010   0.00017   3.13266
   D138       3.14109   0.00000   0.00000   0.00003   0.00003   3.14112
   D139      -0.00662   0.00000   0.00006   0.00011   0.00017  -0.00644
   D140      -1.80931   0.00000   0.00007  -0.00097  -0.00090  -1.81021
   D141       2.48191  -0.00005   0.00058  -0.00057   0.00000   2.48192
   D142       0.27740  -0.00002   0.00035  -0.00041  -0.00007   0.27733
   D143       0.32424   0.00000   0.00036  -0.00048  -0.00013   0.32411
   D144      -1.66773  -0.00005   0.00086  -0.00008   0.00078  -1.66695
   D145       2.41094  -0.00002   0.00063   0.00007   0.00071   2.41165
   D146       2.34053   0.00001   0.00040  -0.00034   0.00006   2.34059
   D147       0.34857  -0.00004   0.00091   0.00006   0.00097   0.34953
   D148      -1.85595  -0.00001   0.00068   0.00022   0.00090  -1.85505
   D149       1.72665  -0.00008  -0.00448  -0.00996  -0.01444   1.71221
   D150      -2.42941  -0.00006  -0.00469  -0.00995  -0.01464  -2.44405
   D151      -0.38070  -0.00007  -0.00465  -0.01012  -0.01477  -0.39547
   D152      -1.04809   0.00007   0.00040   0.00719   0.00759  -1.04050
   D153       3.08478  -0.00005   0.00029   0.00723   0.00753   3.09230
   D154       1.07958   0.00001   0.00038   0.00706   0.00743   1.08701
   D155      -3.09027   0.00003   0.00018   0.00645   0.00663  -3.08364
   D156       1.04260  -0.00009   0.00007   0.00649   0.00657   1.04916
   D157      -0.96260  -0.00004   0.00016   0.00632   0.00647  -0.95613
   D158       1.16107   0.00005   0.00038   0.00670   0.00708   1.16815
   D159      -0.98925  -0.00008   0.00027   0.00674   0.00701  -0.98223
   D160      -2.99445  -0.00002   0.00036   0.00657   0.00692  -2.98752
   D161       2.97308   0.00005  -0.00142  -0.00149  -0.00291   2.97017
   D162      -1.16941   0.00007  -0.00128  -0.00100  -0.00228  -1.17169
   D163       0.83551   0.00006  -0.00133  -0.00128  -0.00260   0.83291
   D164      -1.19022  -0.00009  -0.00102  -0.00236  -0.00338  -1.19360
   D165       0.95047  -0.00008  -0.00089  -0.00186  -0.00275   0.94772
   D166       2.95539  -0.00009  -0.00093  -0.00214  -0.00307   2.95232
   D167       0.85335   0.00000  -0.00135  -0.00147  -0.00282   0.85053
   D168       2.99405   0.00002  -0.00122  -0.00097  -0.00219   2.99185
   D169      -1.28422   0.00001  -0.00126  -0.00125  -0.00251  -1.28673
   D170       1.07077  -0.00004   0.00055   0.00150   0.00205   1.07282
   D171      -1.37373  -0.00002   0.00065  -0.00202  -0.00137  -1.37511
   D172      -1.08066  -0.00002   0.00001   0.00121   0.00122  -1.07944
   D173       2.75802   0.00000   0.00010  -0.00231  -0.00221   2.75581
   D174       3.11478  -0.00003   0.00036   0.00106   0.00143   3.11621
   D175       0.67028  -0.00002   0.00046  -0.00246  -0.00200   0.66828
   D176       1.65920   0.00003   0.00041   0.00160   0.00201   1.66121
   D177      -1.48454   0.00002   0.00037   0.00156   0.00193  -1.48261
   D178      -0.47847  -0.00001   0.00036   0.00120   0.00156  -0.47691
   D179       2.66098  -0.00001   0.00032   0.00115   0.00147   2.66245
   D180      -2.49435   0.00001   0.00041   0.00139   0.00180  -2.49255
   D181       0.64510   0.00001   0.00036   0.00135   0.00171   0.64681
   D182       3.13629   0.00000  -0.00016  -0.00016  -0.00031   3.13598
   D183      -0.01319   0.00001  -0.00023   0.00001  -0.00022  -0.01341
   D184      -0.00317   0.00000  -0.00012  -0.00011  -0.00023  -0.00340
   D185       3.13054   0.00001  -0.00019   0.00005  -0.00014   3.13040
   D186      -3.13596   0.00000   0.00013   0.00009   0.00022  -3.13574
   D187       0.00596   0.00000   0.00014   0.00011   0.00025   0.00621
   D188       0.00349   0.00000   0.00009   0.00005   0.00014   0.00363
   D189      -3.13777   0.00000   0.00010   0.00007   0.00017  -3.13760
   D190       0.00040   0.00000   0.00006   0.00010   0.00016   0.00056
   D191       3.14095   0.00000   0.00005   0.00014   0.00020   3.14115
   D192      -3.13326  -0.00001   0.00013  -0.00007   0.00006  -3.13320
   D193       0.00729   0.00000   0.00013  -0.00003   0.00010   0.00739
   D194       0.00205   0.00000   0.00003  -0.00002   0.00001   0.00206
   D195      -3.14047   0.00000   0.00002   0.00005   0.00007  -3.14040
   D196      -3.13850   0.00000   0.00003  -0.00006  -0.00003  -3.13853
   D197       0.00217   0.00000   0.00003   0.00000   0.00003   0.00220
   D198      -0.00173   0.00000  -0.00006  -0.00004  -0.00010  -0.00183
   D199       3.13982   0.00000  -0.00007  -0.00004  -0.00011   3.13970
   D200       3.14079   0.00000  -0.00005  -0.00011  -0.00016   3.14064
   D201      -0.00085   0.00000  -0.00007  -0.00010  -0.00017  -0.00102
   D202      -0.00105   0.00000   0.00000   0.00003   0.00003  -0.00102
   D203       3.14021   0.00000  -0.00001   0.00001   0.00000   3.14021
   D204       3.14059   0.00000   0.00002   0.00002   0.00004   3.14063
   D205      -0.00133   0.00000   0.00001   0.00000   0.00001  -0.00132
   D206       0.58385   0.00001   0.00131  -0.00128   0.00003   0.58388
   D207      -2.60065  -0.00007   0.00164  -0.00084   0.00080  -2.59985
   D208       3.01056   0.00001   0.00116   0.00228   0.00345   3.01400
   D209      -0.17395  -0.00008   0.00149   0.00273   0.00422  -0.16973
   D210       3.09148  -0.00011   0.00089  -0.00006   0.00083   3.09231
   D211      -0.08948  -0.00019   0.00119   0.00035   0.00155  -0.08794
   D212      -1.14807  -0.00031  -0.00020  -0.00077  -0.00097  -1.14904
   D213       3.03521  -0.00015  -0.00027  -0.00054  -0.00081   3.03440
   D214       1.01123  -0.00005  -0.00006  -0.00044  -0.00049   1.01074
   D215      -2.04593   0.00012   0.00007   0.00626   0.00632  -2.03961
   D216       1.07419   0.00018  -0.00152   0.00688   0.00536   1.07955
   D217      -0.08714   0.00000  -0.00012   0.00536   0.00525  -0.08190
   D218       3.03299   0.00005  -0.00170   0.00598   0.00428   3.03727
   D219       2.12351  -0.00008  -0.00016   0.00593   0.00578   2.12929
   D220      -1.03955  -0.00002  -0.00174   0.00655   0.00481  -1.03473
   D221       3.13867  -0.00002  -0.00131  -0.00243  -0.00374   3.13494
   D222      -0.01079  -0.00002  -0.00190  -0.00222  -0.00413  -0.01492
   D223       0.01683  -0.00007   0.00014  -0.00300  -0.00285   0.01398
   D224      -3.13264  -0.00008  -0.00045  -0.00279  -0.00324  -3.13588
   D225       3.13849   0.00001   0.00109   0.00245   0.00354  -3.14116
   D226      -0.02049   0.00006  -0.00020   0.00295   0.00275  -0.01774
   D227      -0.00133   0.00004   0.00002   0.00123   0.00126  -0.00007
   D228      -3.13584   0.00005   0.00056   0.00105   0.00161  -3.13423
   D229      -0.01514   0.00000  -0.00018   0.00117   0.00099  -0.01416
   D230      -3.11697  -0.00006  -0.00020  -0.00205  -0.00225  -3.11922
   D231       0.02094  -0.00004   0.00022  -0.00241  -0.00219   0.01875
   D232       3.12438   0.00002   0.00024   0.00068   0.00092   3.12530
   D233      -1.00414  -0.00001  -0.00103   0.00888   0.00785  -0.99629
   D234       1.08323   0.00000  -0.00097   0.00915   0.00818   1.09141
   D235      -3.09555   0.00001  -0.00138   0.00890   0.00752  -3.08803
   D236       3.11473   0.00000  -0.00093   0.00942   0.00850   3.12323
   D237      -1.08109   0.00001  -0.00087   0.00969   0.00883  -1.07226
   D238       1.02332   0.00002  -0.00127   0.00944   0.00817   1.03149
   D239       1.04310   0.00001  -0.00118   0.00935   0.00817   1.05126
   D240       3.13046   0.00002  -0.00112   0.00962   0.00850   3.13896
   D241      -1.04832   0.00003  -0.00153   0.00937   0.00784  -1.04048
   D242       2.98857   0.00000   0.00153   0.00157   0.00310   2.99167
   D243      -1.22212   0.00002   0.00150   0.00183   0.00333  -1.21879
   D244       0.90804   0.00001   0.00163   0.00173   0.00337   0.91141
   D245      -1.10648  -0.00002   0.00128   0.00131   0.00258  -1.10390
   D246       0.96601   0.00000   0.00125   0.00157   0.00282   0.96883
   D247       3.09617  -0.00001   0.00138   0.00147   0.00285   3.09902
   D248       0.96322   0.00000   0.00154   0.00145   0.00300   0.96622
   D249       3.03571   0.00002   0.00151   0.00172   0.00323   3.03894
   D250      -1.11731   0.00001   0.00164   0.00162   0.00326  -1.11405
   D251       0.00166   0.00000   0.00003   0.00034   0.00037   0.00203
   D252       3.13571   0.00000  -0.00017  -0.00056  -0.00073   3.13497
         Item               Value     Threshold  Converged?
 Maximum Force            0.000658     0.000450     NO 
 RMS     Force            0.000059     0.000300     YES
 Maximum Displacement     0.071781     0.001800     NO 
 RMS     Displacement     0.011144     0.001200     NO 
 Predicted change in Energy=-6.140807D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.802165   -1.980484    0.984688
      2          6           0       -9.340486   -0.998515   -0.096416
      3          6           0      -10.127318    0.314655   -0.046033
      4          6           0       -7.873724   -0.732496    0.033893
      5          7           0       -6.948767   -0.998608   -0.856557
      6          6           0       -5.651739   -0.623038   -0.417496
      7          6           0       -4.501119   -0.891415   -1.346314
      8          7           0       -3.883276    0.343096   -1.894092
      9          6           0       -4.742999    1.060675   -2.876220
     10          6           0       -3.070233    1.179243   -1.083919
     11          8           0       -2.868313    2.355935   -1.362909
     12          7           0       -2.442656    0.586700    0.051916
     13          6           0       -1.306890    1.336954    0.634217
     14          6           0       -0.017429    1.064028   -0.169709
     15          8           0        0.227301   -0.019472   -0.695539
     16          7           0        0.873583    2.122396   -0.257689
     17          6           0        2.171974    1.996187   -0.976156
     18          6           0        2.493131    3.320010   -1.704994
     19          6           0        2.608963    4.515110   -0.799611
     20          6           0        1.494633    5.341348   -0.582239
     21          6           0        1.598112    6.452009    0.259173
     22          6           0        2.811472    6.748759    0.887788
     23          6           0        3.925278    5.932715    0.666125
     24          6           0        3.827918    4.820932   -0.174911
     25          6           0        3.291818    1.579540    0.001190
     26          6           0        3.095077    0.143620    0.498330
     27          8           0        2.582975    0.204653    1.847529
     28          6           0        4.407456   -0.678601    0.663674
     29          6           0        5.173471   -0.798838   -0.664485
     30          6           0        6.544883   -1.381496   -0.462757
     31          6           0        6.753938   -2.758499   -0.635028
     32          6           0        8.028872   -3.299805   -0.454461
     33          6           0        9.101134   -2.473671   -0.101093
     34          6           0        8.893621   -1.102032    0.073940
     35          6           0        7.620272   -0.554206   -0.104975
     36          7           0        4.055371   -2.024466    1.217731
     37          6           0        3.218255   -2.850701    0.464489
     38          8           0        3.134522   -2.953550   -0.749034
     39          8           0        2.465545   -3.643401    1.321453
     40          6           0        1.487488   -4.523850    0.679714
     41          6           0        0.432826   -3.725301    0.024977
     42          6           0       -0.911574   -3.659736    0.274612
     43          7           0       -1.634142   -2.772076   -0.548657
     44          6           0       -0.845211   -2.166629   -1.418273
     45         16           0        0.845800   -2.628197   -1.271563
     46          6           0       -1.138117    0.932146    2.128147
     47          6           0       -0.689623   -0.519735    2.297433
     48          6           0       -0.166566    1.885540    2.828151
     49          6           0       -5.598492   -0.058925    0.825017
     50         16           0       -7.194819    0.023341    1.501993
     51          1           0      -10.851301   -2.261427    0.834432
     52          1           0       -9.209799   -2.904127    0.966400
     53          1           0       -9.721880   -1.558348    1.993371
     54          1           0       -9.513605   -1.475678   -1.103613
     55          1           0      -10.051705    0.809086    0.929723
     56          1           0       -9.771157    1.024992   -0.802739
     57          1           0      -11.192596    0.138988   -0.237283
     58          1           0       -3.726157   -1.512595   -0.828090
     59          1           0       -4.842486   -1.514607   -2.213018
     60          1           0       -4.846692    0.434499   -3.777324
     61          1           0       -4.270003    2.017275   -3.170164
     62          1           0       -5.747822    1.281257   -2.480253
     63          1           0       -2.317150   -0.436311    0.063012
     64          1           0       -1.565336    2.435676    0.579288
     65          1           0        0.702877    3.003410    0.224040
     66          1           0        2.051799    1.188066   -1.756198
     67          1           0        1.708714    3.501627   -2.473936
     68          1           0        3.429127    3.189492   -2.287634
     69          1           0        0.548959    5.127663   -1.080258
     70          1           0        0.730476    7.090694    0.421535
     71          1           0        2.890086    7.614113    1.542661
     72          1           0        4.873697    6.165212    1.148786
     73          1           0        4.702376    4.197443   -0.347244
     74          1           0        3.320913    2.261880    0.878103
     75          1           0        4.275319    1.695446   -0.494691
     76          1           0        2.364241   -0.408201   -0.147675
     77          1           0        1.592971    0.092095    1.842936
     78          1           0        5.056753   -0.187476    1.439038
     79          1           0        4.590150   -1.422697   -1.385831
     80          1           0        5.246039    0.200634   -1.142729
     81          1           0        5.916041   -3.403159   -0.902845
     82          1           0        8.187197   -4.368606   -0.588558
     83          1           0       10.093009   -2.897413    0.037817
     84          1           0        9.726157   -0.457799    0.350591
     85          1           0        7.467181    0.512678    0.034254
     86          1           0        3.879837   -2.012496    2.232558
     87          1           0        1.128240   -5.103302    1.553500
     88          1           0        2.026709   -5.184682   -0.029357
     89          1           0       -1.466484   -4.216067    1.022037
     90          1           0       -1.168883   -1.425026   -2.143077
     91          1           0       -2.149598    1.045029    2.602916
     92          1           0       -1.382195   -1.225525    1.818552
     93          1           0        0.301303   -0.709624    1.850707
     94          1           0       -0.630370   -0.796320    3.356673
     95          1           0       -0.156868    1.704991    3.911296
     96          1           0        0.871986    1.757925    2.486071
     97          1           0       -0.440665    2.936208    2.686654
     98          1           0       -4.733571    0.307206    1.355316
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0824130      0.0286807      0.0232132
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3658.5066941225 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258336180814     A.U. after   16 cycles
             Convg  =    0.5758D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000014561    0.000005618   -0.000002647
      2        6          -0.000000158    0.000024107    0.000002342
      3        6           0.000029246   -0.000007863   -0.000016721
      4        6          -0.000007623   -0.000030365   -0.000079723
      5        7          -0.000051269   -0.000002028    0.000046683
      6        6           0.000064112    0.000117732    0.000017968
      7        6           0.000001498   -0.000017660    0.000005623
      8        7           0.000038719    0.000040719   -0.000015459
      9        6           0.000037639   -0.000038440   -0.000051417
     10        6          -0.000152717    0.000109142   -0.000065763
     11        8           0.000084263   -0.000108789   -0.000123687
     12        7           0.000062395    0.000152747    0.000218499
     13        6          -0.000000614   -0.000084586    0.000089375
     14        6          -0.000024059    0.000083640   -0.000080409
     15        8          -0.000096051   -0.000091254   -0.000083822
     16        7          -0.000086172   -0.000020391    0.000144692
     17        6          -0.000007330    0.000040484    0.000014836
     18        6          -0.000001047   -0.000028618   -0.000029322
     19        6          -0.000002466    0.000018356   -0.000020535
     20        6          -0.000015201    0.000007433   -0.000014797
     21        6          -0.000012282   -0.000006865    0.000000477
     22        6           0.000007162    0.000007545   -0.000003488
     23        6           0.000005291    0.000005223    0.000000305
     24        6           0.000012393   -0.000010049    0.000023548
     25        6           0.000082160    0.000141660    0.000088451
     26        6           0.000089509   -0.000071093   -0.000135010
     27        8           0.000087072    0.000181200    0.000001600
     28        6          -0.000319972    0.000001326   -0.000069088
     29        6           0.000070829   -0.000096630   -0.000015544
     30        6           0.000000272    0.000066991    0.000038175
     31        6          -0.000016013   -0.000057311   -0.000012653
     32        6           0.000028050   -0.000000312   -0.000007803
     33        6          -0.000003870   -0.000025694   -0.000010884
     34        6          -0.000029795    0.000007519    0.000014606
     35        6           0.000036127    0.000009042   -0.000002100
     36        7           0.000019419    0.000012202    0.000130110
     37        6           0.000102052   -0.000158970    0.000049118
     38        8          -0.000066672    0.000171804   -0.000094105
     39        8          -0.000043469    0.000200707    0.000067579
     40        6          -0.000094029   -0.000014471   -0.000373695
     41        6           0.000193856    0.000071901    0.000617740
     42        6          -0.000232359   -0.000146808   -0.000084352
     43        7           0.000143802    0.000031646    0.000118407
     44        6          -0.000128355    0.000279144   -0.000085334
     45       16          -0.000043547   -0.000223260   -0.000359205
     46        6           0.000082204   -0.000101183   -0.000046191
     47        6          -0.000079684    0.000001357   -0.000015642
     48        6          -0.000037484   -0.000005863    0.000023620
     49        6           0.000056570   -0.000079734   -0.000001850
     50       16          -0.000004885   -0.000000083    0.000046223
     51        1          -0.000009802   -0.000006119    0.000003299
     52        1           0.000001347    0.000006627    0.000006654
     53        1          -0.000008629    0.000002971    0.000009202
     54        1           0.000008568   -0.000014631    0.000012426
     55        1           0.000008770    0.000000593    0.000001790
     56        1           0.000009772    0.000003623    0.000007901
     57        1          -0.000015190   -0.000004461   -0.000007809
     58        1          -0.000040494    0.000013876    0.000045448
     59        1           0.000026953   -0.000026273    0.000003612
     60        1          -0.000011752   -0.000003694   -0.000011911
     61        1           0.000014538    0.000007211   -0.000016185
     62        1          -0.000009035    0.000016017   -0.000005287
     63        1           0.000051652   -0.000057380   -0.000056134
     64        1           0.000000377   -0.000054594   -0.000076589
     65        1           0.000033584   -0.000033135   -0.000032144
     66        1           0.000024093   -0.000055887    0.000027749
     67        1           0.000008890    0.000012170    0.000026829
     68        1          -0.000005118    0.000000186   -0.000017545
     69        1           0.000003630    0.000002794    0.000004841
     70        1           0.000003080    0.000001086    0.000001182
     71        1          -0.000004260    0.000003862    0.000001072
     72        1          -0.000002061   -0.000001165    0.000000726
     73        1          -0.000007899    0.000001903   -0.000006121
     74        1          -0.000003743   -0.000039371    0.000001500
     75        1          -0.000016893   -0.000053323    0.000012000
     76        1          -0.000017304    0.000008034    0.000052042
     77        1           0.000000544   -0.000144065   -0.000069000
     78        1          -0.000035284    0.000009012   -0.000017918
     79        1          -0.000025288   -0.000020820   -0.000005509
     80        1           0.000029457    0.000000290   -0.000023052
     81        1           0.000023849    0.000023059   -0.000012138
     82        1          -0.000005625    0.000002606    0.000003935
     83        1           0.000007836    0.000006246    0.000001776
     84        1           0.000005086   -0.000002202   -0.000003750
     85        1          -0.000011471   -0.000013188   -0.000005511
     86        1           0.000080933    0.000007900   -0.000054495
     87        1           0.000112632    0.000048311    0.000290541
     88        1          -0.000026276   -0.000066867   -0.000002673
     89        1           0.000024969    0.000032704    0.000007331
     90        1           0.000036737   -0.000050061   -0.000007224
     91        1          -0.000085436   -0.000048047   -0.000009667
     92        1           0.000005946    0.000014440    0.000016006
     93        1          -0.000058603    0.000011601    0.000013553
     94        1           0.000001787    0.000048716    0.000056112
     95        1           0.000016781    0.000031159   -0.000039628
     96        1           0.000085003   -0.000010601    0.000025449
     97        1           0.000001938   -0.000004771   -0.000012740
     98        1          -0.000020670    0.000032732    0.000001327
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000617740 RMS     0.000080511

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001074041 RMS     0.000112260
 Search for a local minimum.
 Step number  63 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   56   57   58   59   60
                                                     61   62   63
 DE= -3.55D-06 DEPred=-6.14D-06 R= 5.78D-01
 SS=  1.41D+00  RLast= 6.83D-02 DXNew= 1.2520D+00 2.0500D-01
 Trust test= 5.78D-01 RLast= 6.83D-02 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00065   0.00161   0.00203   0.00260   0.00276
     Eigenvalues ---    0.00341   0.00400   0.00476   0.00556   0.00648
     Eigenvalues ---    0.00674   0.00745   0.00811   0.00896   0.00961
     Eigenvalues ---    0.00981   0.01080   0.01102   0.01181   0.01290
     Eigenvalues ---    0.01324   0.01391   0.01438   0.01459   0.01527
     Eigenvalues ---    0.01614   0.01641   0.01713   0.01731   0.01755
     Eigenvalues ---    0.01927   0.01944   0.02088   0.02104   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02234   0.02258   0.02268
     Eigenvalues ---    0.02290   0.02329   0.02373   0.02404   0.02409
     Eigenvalues ---    0.02414   0.02448   0.02482   0.02485   0.02507
     Eigenvalues ---    0.02527   0.02528   0.02583   0.02686   0.02718
     Eigenvalues ---    0.02855   0.02986   0.03344   0.03743   0.03847
     Eigenvalues ---    0.04015   0.04111   0.04178   0.04283   0.04372
     Eigenvalues ---    0.04584   0.04685   0.04931   0.04962   0.05080
     Eigenvalues ---    0.05147   0.05201   0.05254   0.05351   0.05404
     Eigenvalues ---    0.05449   0.05514   0.05525   0.05588   0.05615
     Eigenvalues ---    0.05625   0.05723   0.05828   0.05855   0.05870
     Eigenvalues ---    0.05918   0.05991   0.06079   0.06117   0.06310
     Eigenvalues ---    0.06502   0.06730   0.06921   0.07085   0.07091
     Eigenvalues ---    0.07523   0.07967   0.08391   0.08595   0.08871
     Eigenvalues ---    0.09415   0.09777   0.09878   0.10326   0.11296
     Eigenvalues ---    0.12096   0.12900   0.13130   0.13269   0.13467
     Eigenvalues ---    0.13817   0.14138   0.14465   0.15473   0.15693
     Eigenvalues ---    0.15753   0.15863   0.15962   0.15969   0.15979
     Eigenvalues ---    0.15986   0.15996   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16002   0.16005   0.16010   0.16020
     Eigenvalues ---    0.16030   0.16059   0.16078   0.16103   0.16120
     Eigenvalues ---    0.16208   0.16319   0.16622   0.16890   0.17272
     Eigenvalues ---    0.17396   0.17949   0.18058   0.18643   0.19041
     Eigenvalues ---    0.19520   0.19755   0.20398   0.20844   0.21734
     Eigenvalues ---    0.21849   0.21993   0.22000   0.22000   0.22019
     Eigenvalues ---    0.22034   0.22326   0.22565   0.23142   0.23297
     Eigenvalues ---    0.23445   0.23502   0.23663   0.23722   0.24109
     Eigenvalues ---    0.24311   0.24701   0.24786   0.24983   0.25003
     Eigenvalues ---    0.25087   0.25236   0.25557   0.26053   0.26860
     Eigenvalues ---    0.28264   0.29159   0.29521   0.29787   0.29860
     Eigenvalues ---    0.29935   0.30106   0.30307   0.30440   0.30544
     Eigenvalues ---    0.30664   0.30827   0.31300   0.31408   0.31427
     Eigenvalues ---    0.31466   0.31504   0.31661   0.31694   0.31856
     Eigenvalues ---    0.31984   0.32152   0.32309   0.32415   0.32571
     Eigenvalues ---    0.32613   0.32675   0.32783   0.32829   0.32865
     Eigenvalues ---    0.32953   0.32972   0.33061   0.33132   0.33136
     Eigenvalues ---    0.33200   0.33287   0.33453   0.33536   0.33610
     Eigenvalues ---    0.33674   0.33726   0.33764   0.33925   0.33968
     Eigenvalues ---    0.34043   0.34196   0.34237   0.34303   0.34407
     Eigenvalues ---    0.34462   0.34501   0.34552   0.34711   0.35328
     Eigenvalues ---    0.35521   0.36244   0.36311   0.36374   0.36451
     Eigenvalues ---    0.36629   0.36833   0.36949   0.37127   0.37614
     Eigenvalues ---    0.38359   0.38677   0.39317   0.40048   0.40585
     Eigenvalues ---    0.41075   0.41594   0.42511   0.42570   0.43222
     Eigenvalues ---    0.43326   0.43871   0.44079   0.44927   0.45236
     Eigenvalues ---    0.45755   0.46962   0.47585   0.48250   0.48367
     Eigenvalues ---    0.48631   0.48798   0.48960   0.49329   0.49848
     Eigenvalues ---    0.50507   0.50892   0.51257   0.51344   0.51515
     Eigenvalues ---    0.56427   0.58697   0.59300   0.61716   0.62762
     Eigenvalues ---    0.65264   0.68217   0.77770   0.79773   0.84796
     Eigenvalues ---    1.30057   1.78889   3.683261000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    63   62   61   60   59
 RFO step:  Lambda=-5.37781673D-06.
 DIIS coeffs:      0.63235      0.73980     -0.20689     -0.19326      0.02799
 Iteration  1 RMS(Cart)=  0.00812219 RMS(Int)=  0.00000892
 Iteration  2 RMS(Cart)=  0.00002039 RMS(Int)=  0.00000015
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000015
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89455   0.00002  -0.00001   0.00000  -0.00001   2.89454
    R2        2.07198  -0.00001  -0.00001   0.00001   0.00000   2.07198
    R3        2.07384   0.00000   0.00002   0.00000   0.00002   2.07386
    R4        2.07189   0.00000  -0.00002   0.00000  -0.00002   2.07187
    R5        2.89447   0.00004  -0.00001   0.00006   0.00005   2.89452
    R6        2.82774   0.00004   0.00000   0.00005   0.00005   2.82779
    R7        2.13137  -0.00002  -0.00003   0.00001  -0.00002   2.13135
    R8        2.07206   0.00000  -0.00002   0.00002   0.00000   2.07205
    R9        2.07357  -0.00001   0.00000  -0.00001  -0.00001   2.07356
   R10        2.07204  -0.00002   0.00000  -0.00002  -0.00002   2.07201
   R11        2.47782   0.00002   0.00005  -0.00008  -0.00003   2.47779
   R12        3.37385   0.00002  -0.00010   0.00019   0.00009   3.37393
   R13        2.68322  -0.00003  -0.00007   0.00006  -0.00002   2.68320
   R14        2.84004   0.00008   0.00005  -0.00012  -0.00007   2.83996
   R15        2.58063   0.00005   0.00007  -0.00010  -0.00003   2.58060
   R16        2.80661   0.00010   0.00005   0.00007   0.00012   2.80674
   R17        2.11699   0.00006   0.00006  -0.00005   0.00001   2.11700
   R18        2.11791  -0.00003   0.00002  -0.00012  -0.00009   2.11781
   R19        2.81475   0.00008  -0.00001   0.00018   0.00017   2.81492
   R20        2.68352   0.00007   0.00010   0.00001   0.00010   2.68363
   R21        2.08285   0.00000   0.00001   0.00001   0.00002   2.08287
   R22        2.09173   0.00000  -0.00002   0.00001  -0.00001   2.09171
   R23        2.08309  -0.00001  -0.00004   0.00005   0.00001   2.08310
   R24        2.31691   0.00017   0.00000   0.00001   0.00002   2.31693
   R25        2.69581   0.00020   0.00000   0.00008   0.00008   2.69590
   R26        2.79776   0.00021   0.00000   0.00000   0.00000   2.79776
   R27        1.94782  -0.00009   0.00011  -0.00016  -0.00005   1.94777
   R28        2.91747   0.00011  -0.00003   0.00011   0.00009   2.91755
   R29        2.94226   0.00004  -0.00004   0.00000  -0.00004   2.94222
   R30        2.13548   0.00008   0.00000   0.00007   0.00007   2.13555
   R31        2.32241  -0.00003   0.00001  -0.00010  -0.00008   2.32233
   R32        2.61970  -0.00015  -0.00011   0.00015   0.00004   2.61974
   R33        2.81432  -0.00008  -0.00009   0.00004  -0.00006   2.81427
   R34        1.92473   0.00005   0.00000  -0.00001  -0.00001   1.92472
   R35        2.91952   0.00002  -0.00001   0.00008   0.00007   2.91960
   R36        2.91707  -0.00006  -0.00005  -0.00015  -0.00020   2.91687
   R37        2.13461  -0.00006   0.00002  -0.00012  -0.00010   2.13451
   R38        2.84176  -0.00003   0.00001  -0.00007  -0.00005   2.84171
   R39        2.10394  -0.00001  -0.00002   0.00002   0.00000   2.10395
   R40        2.09802   0.00001   0.00001   0.00000   0.00001   2.09802
   R41        2.65347  -0.00002   0.00000  -0.00003  -0.00003   2.65344
   R42        2.65211   0.00000  -0.00002   0.00002   0.00000   2.65211
   R43        2.64038   0.00000  -0.00002   0.00001   0.00000   2.64038
   R44        2.05970   0.00000   0.00000   0.00000   0.00000   2.05970
   R45        2.64255  -0.00001   0.00002  -0.00004  -0.00003   2.64252
   R46        2.05891   0.00000   0.00000   0.00000   0.00000   2.05891
   R47        2.64266   0.00000  -0.00001   0.00001   0.00000   2.64266
   R48        2.05614   0.00000   0.00000  -0.00001  -0.00001   2.05613
   R49        2.64081  -0.00001   0.00001  -0.00002  -0.00001   2.64079
   R50        2.05843   0.00000   0.00000   0.00001   0.00001   2.05843
   R51        2.05547   0.00001   0.00000   0.00001   0.00001   2.05549
   R52        2.89549   0.00000  -0.00008  -0.00007  -0.00015   2.89534
   R53        2.10041   0.00003  -0.00004   0.00007   0.00003   2.10045
   R54        2.09292   0.00002  -0.00004   0.00014   0.00010   2.09301
   R55        2.72954  -0.00002  -0.00008   0.00010   0.00002   2.72955
   R56        2.94320   0.00019   0.00004   0.00011   0.00015   2.94334
   R57        2.11780  -0.00001   0.00004  -0.00008  -0.00004   2.11776
   R58        1.88291  -0.00007   0.00008  -0.00008   0.00000   1.88291
   R59        2.90628  -0.00007  -0.00014  -0.00002  -0.00016   2.90611
   R60        2.82973   0.00029   0.00007  -0.00001   0.00006   2.82980
   R61        2.12456   0.00000  -0.00004   0.00007   0.00003   2.12459
   R62        2.84148  -0.00003   0.00002  -0.00006  -0.00004   2.84144
   R63        2.11261  -0.00002   0.00000  -0.00008  -0.00009   2.11252
   R64        2.09830   0.00002  -0.00003   0.00007   0.00004   2.09834
   R65        2.65203  -0.00005  -0.00001  -0.00002  -0.00004   2.65199
   R66        2.65160   0.00000   0.00002  -0.00003  -0.00001   2.65159
   R67        2.63958  -0.00002   0.00000  -0.00003  -0.00002   2.63956
   R68        2.06092   0.00003   0.00003   0.00000   0.00004   2.06095
   R69        2.64367   0.00001   0.00000   0.00001   0.00001   2.64367
   R70        2.05745   0.00001  -0.00001   0.00001   0.00000   2.05745
   R71        2.64230  -0.00002   0.00001  -0.00005  -0.00003   2.64227
   R72        2.05509  -0.00001   0.00000  -0.00001  -0.00001   2.05508
   R73        2.64126   0.00001  -0.00002   0.00003   0.00001   2.64126
   R74        2.05684   0.00000   0.00000   0.00000  -0.00001   2.05684
   R75        2.05369   0.00001   0.00000   0.00000   0.00000   2.05369
   R76        2.63940   0.00015   0.00023  -0.00006   0.00017   2.63957
   R77        1.94635  -0.00002   0.00016  -0.00004   0.00012   1.94647
   R78        2.30688   0.00019  -0.00003   0.00009   0.00006   2.30694
   R79        2.62484   0.00019   0.00009  -0.00026  -0.00017   2.62467
   R80        2.76676  -0.00004  -0.00003   0.00001  -0.00002   2.76674
   R81        2.78930  -0.00013   0.00004  -0.00019  -0.00015   2.78915
   R82        2.09438   0.00031  -0.00009   0.00033   0.00024   2.09462
   R83        2.09601  -0.00002   0.00005  -0.00016  -0.00011   2.09590
   R84        2.58694  -0.00018   0.00005  -0.00004   0.00001   2.58696
   R85        3.30308   0.00037  -0.00011   0.00018   0.00007   3.30315
   R86        2.66432   0.00000  -0.00006  -0.00004  -0.00010   2.66422
   R87        2.04935   0.00002   0.00002  -0.00006  -0.00003   2.04932
   R88        2.49645   0.00012   0.00010   0.00006   0.00016   2.49661
   R89        3.32403   0.00004  -0.00012  -0.00006  -0.00017   3.32386
   R90        2.05284   0.00002   0.00002  -0.00006  -0.00004   2.05279
   R91        2.88934   0.00016   0.00009  -0.00004   0.00005   2.88939
   R92        2.89250  -0.00003   0.00004  -0.00005  -0.00001   2.89249
   R93        2.12226  -0.00008   0.00000  -0.00013  -0.00013   2.12213
   R94        2.07623   0.00002   0.00005  -0.00018  -0.00014   2.07609
   R95        2.08518   0.00005  -0.00002   0.00014   0.00012   2.08530
   R96        2.07181   0.00004   0.00001   0.00009   0.00009   2.07191
   R97        2.07517  -0.00005   0.00001  -0.00006  -0.00005   2.07512
   R98        2.08033  -0.00009   0.00000  -0.00008  -0.00008   2.08024
   R99        2.06928   0.00001   0.00001   0.00000   0.00001   2.06928
   R100       3.28036   0.00000  -0.00010   0.00014   0.00004   3.28040
   R101       2.03824  -0.00001  -0.00002  -0.00003  -0.00005   2.03819
    A1        1.93472   0.00000   0.00001   0.00001   0.00002   1.93474
    A2        1.94455   0.00001  -0.00001  -0.00002  -0.00003   1.94452
    A3        1.96107   0.00001  -0.00003   0.00007   0.00004   1.96110
    A4        1.87397  -0.00001  -0.00003   0.00001  -0.00001   1.87396
    A5        1.87004   0.00000   0.00007  -0.00008  -0.00001   1.87003
    A6        1.87534  -0.00001   0.00000  -0.00001  -0.00001   1.87533
    A7        1.95150   0.00000  -0.00001   0.00005   0.00004   1.95154
    A8        1.92618  -0.00001  -0.00007   0.00012   0.00005   1.92623
    A9        1.88894   0.00000   0.00007  -0.00015  -0.00008   1.88886
   A10        1.92651   0.00002   0.00003  -0.00008  -0.00005   1.92646
   A11        1.88939  -0.00001  -0.00002   0.00002   0.00000   1.88940
   A12        1.87909   0.00000  -0.00001   0.00003   0.00002   1.87911
   A13        1.96107   0.00001  -0.00001  -0.00002  -0.00002   1.96105
   A14        1.94505   0.00001  -0.00002   0.00004   0.00002   1.94507
   A15        1.93478  -0.00001  -0.00002   0.00001   0.00000   1.93477
   A16        1.87485   0.00000   0.00003  -0.00003   0.00000   1.87485
   A17        1.86968   0.00000   0.00003   0.00000   0.00004   1.86972
   A18        1.87421  -0.00001  -0.00003  -0.00001  -0.00003   1.87417
   A19        2.20961   0.00001  -0.00006   0.00010   0.00004   2.20965
   A20        2.11719  -0.00002   0.00008  -0.00013  -0.00005   2.11713
   A21        1.95638   0.00001  -0.00001   0.00003   0.00002   1.95640
   A22        1.96136   0.00000   0.00001  -0.00004  -0.00003   1.96132
   A23        2.04994   0.00003  -0.00001   0.00028   0.00027   2.05021
   A24        2.01111  -0.00001  -0.00003   0.00009   0.00006   2.01118
   A25        2.22211  -0.00002   0.00004  -0.00037  -0.00034   2.22177
   A26        1.98014   0.00007   0.00008  -0.00018  -0.00010   1.98003
   A27        1.92064  -0.00002  -0.00012   0.00010  -0.00002   1.92062
   A28        1.92201  -0.00004   0.00000   0.00007   0.00007   1.92208
   A29        1.92169   0.00000   0.00010  -0.00013  -0.00002   1.92167
   A30        1.87935  -0.00003  -0.00007   0.00003  -0.00004   1.87931
   A31        1.83393   0.00001   0.00001   0.00012   0.00014   1.83407
   A32        1.98616   0.00001  -0.00016   0.00018   0.00002   1.98618
   A33        2.11435   0.00003  -0.00019  -0.00014  -0.00034   2.11402
   A34        2.00753  -0.00004  -0.00023   0.00022  -0.00002   2.00751
   A35        1.89618  -0.00001  -0.00006  -0.00002  -0.00008   1.89610
   A36        1.92282   0.00003  -0.00005   0.00020   0.00016   1.92298
   A37        1.96675   0.00001   0.00004   0.00001   0.00006   1.96681
   A38        1.89027  -0.00002  -0.00005   0.00002  -0.00003   1.89024
   A39        1.89822   0.00000   0.00005  -0.00019  -0.00014   1.89808
   A40        1.88807  -0.00001   0.00007  -0.00004   0.00003   1.88810
   A41        2.12890  -0.00009  -0.00009   0.00025   0.00016   2.12906
   A42        2.05054   0.00012   0.00004  -0.00021  -0.00017   2.05038
   A43        2.10292  -0.00003   0.00006  -0.00006   0.00001   2.10293
   A44        2.02656  -0.00013   0.00007  -0.00028  -0.00021   2.02635
   A45        2.06506   0.00004   0.00004  -0.00003   0.00001   2.06507
   A46        1.98811   0.00010   0.00015   0.00000   0.00015   1.98827
   A47        1.92447   0.00016   0.00010   0.00005   0.00015   1.92462
   A48        1.90581   0.00004  -0.00026   0.00012  -0.00013   1.90568
   A49        1.87354  -0.00009   0.00001  -0.00025  -0.00024   1.87330
   A50        1.94243  -0.00013  -0.00006   0.00013   0.00007   1.94250
   A51        1.91515  -0.00003   0.00006  -0.00008  -0.00002   1.91513
   A52        1.90098   0.00006   0.00015   0.00001   0.00016   1.90114
   A53        2.14716   0.00030  -0.00002   0.00030   0.00028   2.14744
   A54        2.02073  -0.00024   0.00030  -0.00034  -0.00004   2.02069
   A55        2.11524  -0.00006  -0.00028   0.00003  -0.00025   2.11499
   A56        2.12500   0.00013  -0.00033   0.00014  -0.00020   2.12481
   A57        2.12074  -0.00005   0.00014   0.00008   0.00021   2.12096
   A58        2.03487  -0.00007   0.00017  -0.00001   0.00016   2.03504
   A59        1.91368  -0.00005   0.00007   0.00006   0.00013   1.91381
   A60        1.92826  -0.00001   0.00002  -0.00008  -0.00006   1.92820
   A61        1.87656   0.00005  -0.00016   0.00008  -0.00007   1.87648
   A62        1.95969  -0.00002   0.00004  -0.00001   0.00003   1.95971
   A63        1.88532  -0.00002   0.00005  -0.00017  -0.00011   1.88521
   A64        1.89790   0.00005  -0.00004   0.00012   0.00008   1.89798
   A65        1.99650   0.00002  -0.00003   0.00015   0.00012   1.99662
   A66        1.89562  -0.00003   0.00002  -0.00011  -0.00009   1.89552
   A67        1.89874   0.00001   0.00005  -0.00006  -0.00001   1.89872
   A68        1.91819   0.00000  -0.00004   0.00001  -0.00003   1.91816
   A69        1.92245  -0.00001  -0.00001   0.00003   0.00002   1.92247
   A70        1.82421   0.00001   0.00002  -0.00004  -0.00002   1.82419
   A71        2.09406  -0.00002  -0.00002   0.00002   0.00000   2.09406
   A72        2.10374   0.00001   0.00003  -0.00004  -0.00001   2.10373
   A73        2.08535   0.00000  -0.00001   0.00001   0.00001   2.08536
   A74        2.09693   0.00000   0.00001  -0.00001  -0.00001   2.09692
   A75        2.09723   0.00000  -0.00001   0.00003   0.00002   2.09725
   A76        2.08893   0.00000   0.00000  -0.00002  -0.00001   2.08891
   A77        2.09862   0.00000   0.00000   0.00001   0.00001   2.09863
   A78        2.09063   0.00000   0.00001  -0.00002  -0.00001   2.09062
   A79        2.09392   0.00000  -0.00001   0.00001   0.00000   2.09393
   A80        2.08978   0.00000   0.00000   0.00000   0.00000   2.08978
   A81        2.09674   0.00000  -0.00001   0.00002   0.00001   2.09675
   A82        2.09665   0.00000   0.00002  -0.00003  -0.00001   2.09664
   A83        2.09920   0.00000   0.00000   0.00000   0.00000   2.09920
   A84        2.09288   0.00000   0.00000   0.00000   0.00000   2.09288
   A85        2.09110   0.00000   0.00000   0.00000   0.00000   2.09110
   A86        2.09643   0.00000   0.00001  -0.00001  -0.00001   2.09643
   A87        2.09767   0.00000   0.00002  -0.00003  -0.00001   2.09766
   A88        2.08906   0.00000  -0.00002   0.00004   0.00002   2.08908
   A89        1.94467   0.00055   0.00013   0.00019   0.00032   1.94499
   A90        1.93137  -0.00022  -0.00006   0.00006   0.00000   1.93137
   A91        1.90974  -0.00010   0.00002  -0.00008  -0.00005   1.90968
   A92        1.89937  -0.00010  -0.00014   0.00011  -0.00003   1.89934
   A93        1.93625  -0.00023   0.00008  -0.00020  -0.00012   1.93613
   A94        1.83978   0.00007  -0.00006  -0.00009  -0.00015   1.83963
   A95        1.88493   0.00001  -0.00015   0.00053   0.00038   1.88531
   A96        2.00533  -0.00057  -0.00003   0.00002   0.00000   2.00533
   A97        1.93708   0.00024   0.00012   0.00006   0.00018   1.93726
   A98        1.79455   0.00025   0.00006  -0.00075  -0.00069   1.79386
   A99        1.90502  -0.00012  -0.00006  -0.00010  -0.00016   1.90486
   A100       1.92918   0.00019   0.00004   0.00019   0.00023   1.92941
   A101       1.92111   0.00006  -0.00013   0.00037   0.00024   1.92135
   A102       1.94904  -0.00026  -0.00010   0.00022   0.00012   1.94916
   A103       1.89193   0.00051   0.00046  -0.00056  -0.00010   1.89182
   A104       1.90630  -0.00012   0.00000  -0.00008  -0.00008   1.90622
   A105       1.94591  -0.00005  -0.00011   0.00055   0.00044   1.94635
   A106       1.91993   0.00011   0.00006  -0.00034  -0.00029   1.91965
   A107       1.84755  -0.00019  -0.00031   0.00020  -0.00010   1.84745
   A108       1.94842  -0.00003  -0.00001  -0.00008  -0.00008   1.94834
   A109       1.91875   0.00003  -0.00008   0.00013   0.00006   1.91880
   A110       1.91149  -0.00001   0.00003  -0.00013  -0.00010   1.91139
   A111       1.92433  -0.00001  -0.00005   0.00005   0.00000   1.92434
   A112       1.92514   0.00003   0.00002   0.00008   0.00009   1.92523
   A113       1.83226  -0.00001   0.00009  -0.00005   0.00004   1.83230
   A114       2.09394   0.00000   0.00000   0.00004   0.00004   2.09398
   A115       2.09988  -0.00001   0.00000  -0.00005  -0.00005   2.09984
   A116       2.08936   0.00001   0.00000   0.00000   0.00000   2.08937
   A117       2.09479   0.00000   0.00001  -0.00002  -0.00001   2.09478
   A118       2.08943  -0.00002  -0.00001  -0.00003  -0.00004   2.08939
   A119       2.09894   0.00002   0.00000   0.00005   0.00005   2.09899
   A120       2.09832   0.00000  -0.00001   0.00003   0.00002   2.09834
   A121       2.09121   0.00000   0.00000  -0.00001  -0.00001   2.09120
   A122       2.09366  -0.00001   0.00001  -0.00002  -0.00001   2.09365
   A123       2.09112   0.00000   0.00000  -0.00001  -0.00001   2.09112
   A124       2.09582  -0.00001   0.00000   0.00000   0.00000   2.09582
   A125       2.09624   0.00001  -0.00001   0.00001   0.00000   2.09625
   A126       2.09864  -0.00001   0.00000  -0.00001  -0.00001   2.09863
   A127       2.09316   0.00001  -0.00001   0.00002   0.00001   2.09317
   A128       2.09138   0.00000   0.00001  -0.00001   0.00000   2.09138
   A129       2.09413  -0.00001   0.00000   0.00001   0.00001   2.09414
   A130       2.09845   0.00002  -0.00002   0.00006   0.00004   2.09849
   A131       2.09061  -0.00001   0.00003  -0.00007  -0.00005   2.09056
   A132       2.06356   0.00107  -0.00008   0.00034   0.00026   2.06382
   A133       1.97599  -0.00035  -0.00048  -0.00032  -0.00079   1.97519
   A134       2.02206  -0.00039  -0.00042  -0.00028  -0.00070   2.02136
   A135       2.24856   0.00016   0.00000   0.00027   0.00026   2.24883
   A136       1.90674  -0.00023  -0.00012  -0.00027  -0.00038   1.90636
   A137       2.12711   0.00006   0.00012  -0.00002   0.00011   2.12721
   A138       2.02058   0.00049   0.00019   0.00051   0.00070   2.02128
   A139       1.92453   0.00057   0.00002   0.00034   0.00037   1.92490
   A140       1.75725  -0.00012   0.00019  -0.00042  -0.00023   1.75701
   A141       1.88992  -0.00028   0.00005  -0.00039  -0.00034   1.88958
   A142       1.98337  -0.00020  -0.00001  -0.00003  -0.00004   1.98333
   A143       1.96722  -0.00003  -0.00005   0.00018   0.00014   1.96736
   A144       1.92847   0.00005  -0.00018   0.00023   0.00006   1.92853
   A145       2.27409  -0.00009  -0.00005  -0.00022  -0.00027   2.27382
   A146       2.09415   0.00011   0.00006   0.00028   0.00034   2.09449
   A147       1.91477  -0.00002  -0.00001  -0.00006  -0.00007   1.91470
   A148       2.01195   0.00009   0.00000   0.00008   0.00008   2.01202
   A149       2.21883  -0.00002  -0.00005  -0.00003  -0.00008   2.21876
   A150       2.05238  -0.00007   0.00004  -0.00005  -0.00001   2.05237
   A151       1.94643  -0.00002  -0.00003  -0.00005  -0.00009   1.94634
   A152       1.98116   0.00002  -0.00001   0.00004   0.00003   1.98120
   A153       2.18235  -0.00003  -0.00010  -0.00004  -0.00014   2.18221
   A154       2.11908   0.00000   0.00009  -0.00004   0.00005   2.11913
   A155       1.57023  -0.00007   0.00003  -0.00003   0.00001   1.57024
   A156       1.96592  -0.00005  -0.00016   0.00000  -0.00016   1.96576
   A157       1.92375   0.00003   0.00018  -0.00001   0.00017   1.92392
   A158       1.85654   0.00001  -0.00010   0.00012   0.00001   1.85655
   A159       1.93333   0.00003   0.00005  -0.00002   0.00004   1.93337
   A160       1.88897   0.00003   0.00001   0.00018   0.00019   1.88916
   A161       1.89203  -0.00005   0.00002  -0.00027  -0.00026   1.89177
   A162       1.95718  -0.00001  -0.00006  -0.00004  -0.00010   1.95708
   A163       1.96277   0.00004  -0.00012   0.00024   0.00012   1.96288
   A164       1.94162   0.00006  -0.00016   0.00026   0.00010   1.94172
   A165       1.85363  -0.00001   0.00005  -0.00003   0.00002   1.85365
   A166       1.86828  -0.00004   0.00022   0.00001   0.00023   1.86851
   A167       1.87465  -0.00004   0.00011  -0.00048  -0.00038   1.87427
   A168       1.93294  -0.00003   0.00002  -0.00008  -0.00005   1.93289
   A169       1.96546   0.00003   0.00007  -0.00001   0.00005   1.96551
   A170       1.96023   0.00000   0.00002  -0.00005  -0.00003   1.96020
   A171       1.85366   0.00000  -0.00011   0.00028   0.00017   1.85383
   A172       1.86233   0.00001  -0.00002  -0.00006  -0.00008   1.86225
   A173       1.88307  -0.00001   0.00001  -0.00006  -0.00005   1.88302
   A174       1.91617   0.00001   0.00000  -0.00002  -0.00002   1.91615
   A175       2.23805  -0.00003  -0.00012  -0.00001  -0.00013   2.23792
   A176       2.12892   0.00002   0.00012   0.00003   0.00016   2.12908
   A177       1.57974  -0.00001   0.00003  -0.00006  -0.00002   1.57971
    D1        1.09213  -0.00001   0.00042  -0.00111  -0.00069   1.09144
    D2       -3.03950   0.00001   0.00041  -0.00108  -0.00068  -3.04018
    D3       -0.98735   0.00000   0.00040  -0.00107  -0.00067  -0.98802
    D4       -3.10526  -0.00001   0.00038  -0.00109  -0.00071  -3.10596
    D5       -0.95370   0.00000   0.00037  -0.00107  -0.00070  -0.95440
    D6        1.09846   0.00000   0.00036  -0.00106  -0.00069   1.09776
    D7       -0.99972  -0.00001   0.00035  -0.00106  -0.00072  -1.00044
    D8        1.15183   0.00000   0.00033  -0.00104  -0.00071   1.15113
    D9       -3.07920   0.00000   0.00033  -0.00103  -0.00070  -3.07990
   D10        1.00595   0.00000   0.00035  -0.00039  -0.00004   1.00592
   D11        3.11122   0.00000   0.00038  -0.00042  -0.00004   3.11118
   D12       -1.08548   0.00000   0.00032  -0.00039  -0.00007  -1.08555
   D13       -1.14542   0.00000   0.00043  -0.00053  -0.00010  -1.14552
   D14        0.95985   0.00000   0.00045  -0.00055  -0.00010   0.95975
   D15        3.04633   0.00000   0.00040  -0.00053  -0.00013   3.04620
   D16        3.08516  -0.00001   0.00042  -0.00053  -0.00010   3.08506
   D17       -1.09276   0.00000   0.00045  -0.00055  -0.00011  -1.09286
   D18        0.99372  -0.00001   0.00039  -0.00053  -0.00014   0.99359
   D19        2.06103  -0.00002  -0.00100   0.00119   0.00019   2.06122
   D20       -1.08337   0.00000  -0.00097   0.00144   0.00047  -1.08290
   D21       -2.05613  -0.00002  -0.00104   0.00129   0.00025  -2.05589
   D22        1.08265   0.00001  -0.00101   0.00154   0.00053   1.08318
   D23        0.00281  -0.00001  -0.00105   0.00128   0.00024   0.00305
   D24       -3.14159   0.00001  -0.00102   0.00154   0.00052  -3.14106
   D25       -3.13875   0.00000   0.00006   0.00001   0.00008  -3.13868
   D26        0.00543  -0.00002   0.00004  -0.00022  -0.00019   0.00524
   D27        3.13962   0.00000  -0.00007   0.00012   0.00005   3.13967
   D28       -0.00441   0.00003  -0.00004   0.00034   0.00029  -0.00411
   D29        3.13024   0.00001  -0.00014   0.00035   0.00021   3.13045
   D30       -0.00401   0.00001  -0.00001  -0.00006  -0.00006  -0.00407
   D31        1.95128  -0.00002   0.00260  -0.00832  -0.00572   1.94557
   D32       -2.17016   0.00001   0.00270  -0.00854  -0.00584  -2.17600
   D33       -0.15646  -0.00001   0.00264  -0.00829  -0.00565  -0.16210
   D34       -1.19866  -0.00002   0.00245  -0.00785  -0.00540  -1.20406
   D35        0.96308   0.00002   0.00254  -0.00807  -0.00553   0.95755
   D36        2.97678   0.00000   0.00249  -0.00782  -0.00533   2.97145
   D37        0.00055   0.00001  -0.00003   0.00031   0.00028   0.00084
   D38       -3.13170  -0.00001  -0.00027   0.00034   0.00007  -3.13164
   D39       -3.13285   0.00001   0.00013  -0.00015  -0.00002  -3.13287
   D40        0.01808  -0.00002  -0.00012  -0.00012  -0.00024   0.01784
   D41       -1.22940   0.00002   0.00100  -0.00122  -0.00022  -1.22962
   D42        1.27984   0.00000  -0.00003  -0.00072  -0.00075   1.27909
   D43        2.89262   0.00000   0.00103  -0.00113  -0.00010   2.89252
   D44       -0.88133  -0.00002   0.00000  -0.00063  -0.00063  -0.88196
   D45        0.90223   0.00000   0.00100  -0.00122  -0.00023   0.90200
   D46       -2.87172  -0.00002  -0.00003  -0.00073  -0.00076  -2.87248
   D47       -1.16928  -0.00001  -0.00053  -0.00041  -0.00093  -1.17021
   D48        3.04582   0.00000  -0.00040  -0.00054  -0.00094   3.04488
   D49        0.93543  -0.00001  -0.00048  -0.00064  -0.00112   0.93431
   D50        2.56460  -0.00002   0.00042  -0.00074  -0.00032   2.56429
   D51        0.49652  -0.00001   0.00055  -0.00087  -0.00032   0.49620
   D52       -1.61387  -0.00002   0.00047  -0.00098  -0.00051  -1.61438
   D53       -2.76939   0.00007   0.00194  -0.00080   0.00114  -2.76824
   D54        0.41563  -0.00001   0.00148  -0.00040   0.00108   0.41671
   D55       -0.26731   0.00007   0.00093  -0.00031   0.00062  -0.26669
   D56        2.91771  -0.00001   0.00047   0.00009   0.00056   2.91826
   D57        2.83264   0.00011   0.00157  -0.00026   0.00131   2.83395
   D58        0.37210   0.00007   0.00114   0.00019   0.00133   0.37344
   D59       -0.26621   0.00003   0.00112   0.00012   0.00124  -0.26497
   D60       -2.72674  -0.00001   0.00070   0.00057   0.00127  -2.72548
   D61       -1.42043  -0.00003   0.00163  -0.00019   0.00144  -1.41899
   D62        2.72340   0.00001   0.00181  -0.00047   0.00135   2.72475
   D63        0.66512  -0.00002   0.00177  -0.00040   0.00136   0.66649
   D64        1.06977   0.00000   0.00199  -0.00062   0.00137   1.07114
   D65       -1.06958   0.00003   0.00218  -0.00091   0.00127  -1.06831
   D66       -3.12786   0.00000   0.00213  -0.00084   0.00129  -3.12657
   D67       -0.59579  -0.00007  -0.00039   0.00039   0.00000  -0.59579
   D68        2.55679  -0.00007  -0.00001   0.00095   0.00094   2.55773
   D69        1.52191  -0.00001  -0.00069   0.00067  -0.00002   1.52190
   D70       -1.60869   0.00000  -0.00031   0.00124   0.00092  -1.60777
   D71       -2.65592  -0.00004  -0.00049   0.00071   0.00022  -2.65570
   D72        0.49666  -0.00004  -0.00012   0.00128   0.00116   0.49782
   D73        1.17110   0.00008  -0.00065   0.00301   0.00236   1.17346
   D74       -2.94312   0.00011  -0.00056   0.00298   0.00242  -2.94071
   D75       -0.89555   0.00007  -0.00050   0.00272   0.00221  -0.89334
   D76       -0.95745  -0.00006  -0.00056   0.00277   0.00221  -0.95524
   D77        1.21150  -0.00003  -0.00047   0.00274   0.00227   1.21378
   D78       -3.02411  -0.00007  -0.00041   0.00248   0.00207  -3.02205
   D79       -3.07111   0.00002  -0.00070   0.00278   0.00208  -3.06903
   D80       -0.90216   0.00005  -0.00061   0.00275   0.00214  -0.90002
   D81        1.14541   0.00001  -0.00055   0.00249   0.00193   1.14735
   D82        3.11833  -0.00003  -0.00072   0.00103   0.00031   3.11864
   D83        0.05626  -0.00009  -0.00037  -0.00215  -0.00252   0.05374
   D84       -0.01249  -0.00003  -0.00036   0.00158   0.00123  -0.01127
   D85       -3.07456  -0.00009   0.00000  -0.00160  -0.00161  -3.07617
   D86        2.49839  -0.00009   0.00074  -0.00311  -0.00236   2.49603
   D87       -1.61586  -0.00015   0.00086  -0.00314  -0.00228  -1.61814
   D88        0.45282  -0.00006   0.00073  -0.00299  -0.00226   0.45056
   D89       -0.71901  -0.00003   0.00040  -0.00006   0.00034  -0.71867
   D90        1.44992  -0.00010   0.00052  -0.00009   0.00042   1.45034
   D91       -2.76459  -0.00001   0.00039   0.00006   0.00044  -2.76414
   D92        1.04636  -0.00003  -0.00008  -0.00012  -0.00020   1.04617
   D93       -1.10336  -0.00003  -0.00002  -0.00015  -0.00017  -1.10354
   D94       -3.07915  -0.00002  -0.00007  -0.00002  -0.00009  -3.07924
   D95       -1.10415   0.00003  -0.00019  -0.00005  -0.00023  -1.10438
   D96        3.02931   0.00003  -0.00013  -0.00008  -0.00021   3.02910
   D97        1.05353   0.00004  -0.00018   0.00005  -0.00013   1.05340
   D98        3.08644  -0.00001  -0.00019  -0.00008  -0.00027   3.08617
   D99        0.93671  -0.00001  -0.00014  -0.00011  -0.00025   0.93646
   D100      -1.03907   0.00000  -0.00019   0.00002  -0.00017  -1.03924
   D101       1.19897   0.00014   0.00079  -0.00292  -0.00213   1.19684
   D102      -0.91679   0.00004   0.00091  -0.00322  -0.00231  -0.91910
   D103      -2.93660   0.00015   0.00100  -0.00310  -0.00210  -2.93870
   D104      -2.94191   0.00006   0.00092  -0.00291  -0.00198  -2.94390
   D105       1.22551  -0.00004   0.00105  -0.00321  -0.00216   1.22335
   D106      -0.79430   0.00007   0.00114  -0.00309  -0.00195  -0.79625
   D107      -0.85665   0.00005   0.00099  -0.00304  -0.00205  -0.85870
   D108      -2.97241  -0.00005   0.00112  -0.00335  -0.00223  -2.97464
   D109       1.29096   0.00006   0.00120  -0.00323  -0.00202   1.28894
   D110      -1.64673   0.00001  -0.00015   0.00033   0.00018  -1.64655
   D111       1.50378   0.00000  -0.00017   0.00036   0.00019   1.50397
   D112       0.49077  -0.00001  -0.00018   0.00030   0.00012   0.49089
   D113      -2.64191  -0.00002  -0.00020   0.00033   0.00013  -2.64178
   D114       2.49156  -0.00001  -0.00018   0.00028   0.00010   2.49166
   D115      -0.64112  -0.00001  -0.00020   0.00030   0.00010  -0.64101
   D116       3.14067   0.00000  -0.00004   0.00001  -0.00003   3.14064
   D117      -0.01635   0.00000  -0.00001  -0.00007  -0.00007  -0.01642
   D118      -0.00974   0.00000  -0.00002  -0.00002  -0.00004  -0.00978
   D119       3.11643   0.00000   0.00001  -0.00009  -0.00008   3.11634
   D120      -3.14016   0.00000   0.00003  -0.00002   0.00001  -3.14015
   D121       0.00743   0.00001   0.00004   0.00001   0.00005   0.00748
   D122       0.01030   0.00000   0.00002   0.00000   0.00002   0.01032
   D123      -3.12529   0.00000   0.00003   0.00004   0.00006  -3.12523
   D124       0.00183   0.00000   0.00001   0.00002   0.00003   0.00187
   D125       3.13869   0.00000   0.00002   0.00002   0.00004   3.13873
   D126      -3.12440   0.00000  -0.00002   0.00009   0.00007  -3.12433
   D127       0.01245   0.00000  -0.00001   0.00010   0.00009   0.01253
   D128       0.00556   0.00000   0.00000   0.00000   0.00000   0.00556
   D129       3.14158   0.00000   0.00001  -0.00001   0.00000   3.14158
   D130      -3.13128   0.00000   0.00000  -0.00001  -0.00002  -3.13130
   D131       0.00474   0.00000   0.00000  -0.00002  -0.00001   0.00472
   D132      -0.00500   0.00000  -0.00001  -0.00001  -0.00002  -0.00502
   D133       3.13410   0.00000   0.00000  -0.00003  -0.00003   3.13407
   D134      -3.14102   0.00000  -0.00001  -0.00001  -0.00002  -3.14104
   D135      -0.00192   0.00000   0.00000  -0.00003  -0.00003  -0.00195
   D136      -0.00296   0.00000   0.00000   0.00001   0.00001  -0.00295
   D137       3.13266   0.00000  -0.00001  -0.00002  -0.00003   3.13263
   D138       3.14112   0.00000  -0.00001   0.00004   0.00002   3.14114
   D139      -0.00644   0.00000  -0.00002   0.00000  -0.00002  -0.00646
   D140      -1.81021   0.00006  -0.00009  -0.00061  -0.00070  -1.81091
   D141       2.48192   0.00007  -0.00005  -0.00004  -0.00009   2.48182
   D142       0.27733   0.00007  -0.00019  -0.00037  -0.00056   0.27677
   D143       0.32411   0.00007  -0.00017  -0.00034  -0.00052   0.32359
   D144      -1.66695   0.00008  -0.00013   0.00023   0.00009  -1.66686
   D145       2.41165   0.00008  -0.00027  -0.00010  -0.00037   2.41128
   D146       2.34059  -0.00003  -0.00027  -0.00050  -0.00078   2.33981
   D147       0.34953  -0.00002  -0.00024   0.00007  -0.00017   0.34936
   D148      -1.85505  -0.00003  -0.00037  -0.00026  -0.00063  -1.85569
   D149       1.71221   0.00017   0.00156  -0.01125  -0.00969   1.70252
   D150      -2.44405  -0.00036   0.00149  -0.01137  -0.00988  -2.45393
   D151      -0.39547  -0.00006   0.00154  -0.01157  -0.01004  -0.40550
   D152      -1.04050   0.00000  -0.00295   0.00248  -0.00046  -1.04096
   D153       3.09230  -0.00012  -0.00306   0.00203  -0.00102   3.09128
   D154       1.08701  -0.00011  -0.00294   0.00214  -0.00080   1.08621
   D155      -3.08364   0.00011  -0.00279   0.00231  -0.00048  -3.08412
   D156       1.04916  -0.00001  -0.00290   0.00186  -0.00104   1.04812
   D157      -0.95613   0.00000  -0.00278   0.00197  -0.00082  -0.95695
   D158       1.16815   0.00003  -0.00277   0.00274  -0.00003   1.16812
   D159      -0.98223  -0.00009  -0.00288   0.00229  -0.00059  -0.98282
   D160      -2.98752  -0.00008  -0.00276   0.00239  -0.00037  -2.98789
   D161       2.97017  -0.00022  -0.00014  -0.00096  -0.00111   2.96906
   D162      -1.17169  -0.00023  -0.00026  -0.00086  -0.00112  -1.17282
   D163       0.83291  -0.00023  -0.00018  -0.00092  -0.00110   0.83181
   D164      -1.19360   0.00022   0.00030  -0.00115  -0.00085  -1.19445
   D165       0.94772   0.00021   0.00018  -0.00104  -0.00086   0.94686
   D166       2.95232   0.00021   0.00026  -0.00110  -0.00084   2.95148
   D167       0.85053   0.00002  -0.00012  -0.00077  -0.00089   0.84964
   D168       2.99185   0.00001  -0.00024  -0.00067  -0.00090   2.99095
   D169      -1.28673   0.00001  -0.00015  -0.00073  -0.00088  -1.28761
   D170       1.07282   0.00022  -0.00024   0.00119   0.00096   1.07378
   D171      -1.37511  -0.00004   0.00124   0.00166   0.00290  -1.37220
   D172      -1.07944   0.00022  -0.00036   0.00095   0.00059  -1.07885
   D173       2.75581  -0.00003   0.00112   0.00141   0.00253   2.75835
   D174       3.11621   0.00023  -0.00017   0.00093   0.00076   3.11697
   D175       0.66828  -0.00002   0.00130   0.00140   0.00270   0.67098
   D176       1.66121   0.00001  -0.00035   0.00009  -0.00026   1.66095
   D177      -1.48261   0.00001  -0.00036   0.00008  -0.00028  -1.48289
   D178      -0.47691   0.00000  -0.00022  -0.00006  -0.00028  -0.47719
   D179       2.66245   0.00000  -0.00022  -0.00007  -0.00029   2.66216
   D180      -2.49255   0.00000  -0.00031  -0.00007  -0.00038  -2.49294
   D181       0.64681   0.00000  -0.00032  -0.00008  -0.00040   0.64641
   D182       3.13598   0.00000  -0.00001  -0.00001  -0.00003   3.13595
   D183      -0.01341   0.00001  -0.00010   0.00005  -0.00005  -0.01345
   D184      -0.00340   0.00000  -0.00001  -0.00001  -0.00001  -0.00341
   D185       3.13040   0.00001  -0.00009   0.00006  -0.00003   3.13037
   D186      -3.13574   0.00000   0.00002   0.00001   0.00003  -3.13571
   D187       0.00621   0.00000   0.00002   0.00002   0.00004   0.00625
   D188       0.00363   0.00000   0.00002   0.00000   0.00001   0.00364
   D189      -3.13760   0.00000   0.00001   0.00001   0.00002  -3.13758
   D190       0.00056   0.00000  -0.00001   0.00001   0.00000   0.00056
   D191       3.14115   0.00000  -0.00003   0.00002  -0.00001   3.14114
   D192      -3.13320   0.00000   0.00008  -0.00006   0.00002  -3.13318
   D193       0.00739   0.00000   0.00006  -0.00005   0.00001   0.00740
   D194       0.00206   0.00000   0.00002   0.00000   0.00001   0.00207
   D195      -3.14040   0.00000  -0.00001   0.00002   0.00000  -3.14040
   D196      -3.13853   0.00000   0.00004  -0.00002   0.00002  -3.13851
   D197       0.00220   0.00000   0.00001   0.00000   0.00001   0.00221
   D198      -0.00183   0.00000  -0.00001   0.00000  -0.00001  -0.00184
   D199       3.13970   0.00000  -0.00002   0.00000  -0.00002   3.13969
   D200       3.14064   0.00000   0.00002  -0.00003   0.00000   3.14063
   D201      -0.00102   0.00000   0.00001  -0.00002  -0.00001  -0.00103
   D202      -0.00102   0.00000  -0.00001   0.00001   0.00000  -0.00102
   D203       3.14021   0.00000  -0.00001  -0.00001  -0.00001   3.14020
   D204       3.14063   0.00000   0.00000   0.00000   0.00000   3.14064
   D205      -0.00132   0.00000   0.00000  -0.00001  -0.00001  -0.00133
   D206       0.58388  -0.00004   0.00095   0.00121   0.00216   0.58604
   D207      -2.59985  -0.00059   0.00106   0.00072   0.00178  -2.59807
   D208       3.01400   0.00026  -0.00058   0.00072   0.00014   3.01414
   D209      -0.16973  -0.00029  -0.00047   0.00023  -0.00023  -0.16996
   D210       3.09231   0.00060   0.00045   0.00096   0.00141   3.09372
   D211      -0.08794   0.00009   0.00055   0.00052   0.00107  -0.08686
   D212      -1.14904  -0.00016   0.00013  -0.00031  -0.00018  -1.14921
   D213       3.03440  -0.00011   0.00003  -0.00020  -0.00016   3.03424
   D214       1.01074  -0.00001   0.00012  -0.00012   0.00001   1.01074
   D215      -2.03961  -0.00007  -0.00260  -0.00268  -0.00528  -2.04489
   D216       1.07955  -0.00001  -0.00327  -0.00218  -0.00545   1.07411
   D217      -0.08190   0.00002  -0.00236  -0.00300  -0.00536  -0.08726
   D218       3.03727   0.00009  -0.00303  -0.00250  -0.00553   3.03174
   D219       2.12929  -0.00011  -0.00265  -0.00255  -0.00520   2.12409
   D220      -1.03473  -0.00004  -0.00332  -0.00205  -0.00537  -1.04010
   D221       3.13494   0.00016   0.00032   0.00015   0.00047   3.13540
   D222      -0.01492   0.00005  -0.00010  -0.00061  -0.00071  -0.01563
   D223       0.01398   0.00010   0.00093  -0.00031   0.00062   0.01459
   D224      -3.13588  -0.00001   0.00051  -0.00107  -0.00056  -3.13644
   D225      -3.14116  -0.00017  -0.00029  -0.00080  -0.00109   3.14094
   D226      -0.01774  -0.00012  -0.00083  -0.00040  -0.00123  -0.01897
   D227      -0.00007  -0.00001  -0.00050   0.00114   0.00064   0.00057
   D228      -3.13423   0.00009  -0.00012   0.00182   0.00170  -3.13253
   D229      -0.01416  -0.00008  -0.00018  -0.00143  -0.00161  -0.01576
   D230      -3.11922   0.00007   0.00045  -0.00004   0.00041  -3.11881
   D231       0.01875   0.00012   0.00059   0.00108   0.00167   0.02042
   D232       3.12530  -0.00003  -0.00002  -0.00025  -0.00027   3.12503
   D233      -0.99629   0.00001  -0.00384   0.00476   0.00092  -0.99536
   D234       1.09141   0.00001  -0.00390   0.00486   0.00096   1.09237
   D235      -3.08803   0.00003  -0.00396   0.00459   0.00063  -3.08740
   D236       3.12323  -0.00002  -0.00399   0.00478   0.00079   3.12402
   D237      -1.07226  -0.00002  -0.00406   0.00489   0.00083  -1.07143
   D238       1.03149   0.00000  -0.00412   0.00462   0.00050   1.03199
   D239       1.05126   0.00001  -0.00405   0.00502   0.00097   1.05223
   D240       3.13896   0.00001  -0.00412   0.00512   0.00101   3.13996
   D241      -1.04048   0.00003  -0.00418   0.00485   0.00067  -1.03981
   D242       2.99167   0.00000   0.00029  -0.00034  -0.00005   2.99162
   D243      -1.21879   0.00000   0.00021  -0.00005   0.00016  -1.21862
   D244       0.91141   0.00001   0.00029  -0.00018   0.00011   0.91152
   D245      -1.10390  -0.00002   0.00025  -0.00036  -0.00011  -1.10400
   D246       0.96883  -0.00002   0.00018  -0.00007   0.00011   0.96894
   D247       3.09902  -0.00001   0.00025  -0.00019   0.00006   3.09908
   D248       0.96622  -0.00001   0.00031  -0.00032  -0.00001   0.96621
   D249       3.03894   0.00000   0.00023  -0.00003   0.00020   3.03914
   D250      -1.11405   0.00001   0.00031  -0.00015   0.00015  -1.11390
   D251       0.00203  -0.00002   0.00004  -0.00035  -0.00032   0.00171
   D252       3.13497   0.00000   0.00026  -0.00038  -0.00012   3.13486
         Item               Value     Threshold  Converged?
 Maximum Force            0.001074     0.000450     NO 
 RMS     Force            0.000112     0.000300     YES
 Maximum Displacement     0.039313     0.001800     NO 
 RMS     Displacement     0.008125     0.001200     NO 
 Predicted change in Energy=-4.462926D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.809677   -1.971179    0.977317
      2          6           0       -9.343005   -0.987263   -0.099859
      3          6           0      -10.123685    0.329420   -0.044788
      4          6           0       -7.875040   -0.728567    0.031926
      5          7           0       -6.951036   -0.995384   -0.859280
      6          6           0       -5.652447   -0.627647   -0.418234
      7          6           0       -4.502540   -0.897196   -1.347531
      8          7           0       -3.883851    0.336816   -1.895656
      9          6           0       -4.743312    1.055020   -2.877694
     10          6           0       -3.070478    1.172500   -1.085236
     11          8           0       -2.868501    2.349377   -1.363448
     12          7           0       -2.442681    0.579066    0.050067
     13          6           0       -1.307781    1.329818    0.633413
     14          6           0       -0.018178    1.060856   -0.171706
     15          8           0        0.228422   -0.020877   -0.700191
     16          7           0        0.871543    2.120585   -0.256671
     17          6           0        2.169640    1.997996   -0.976235
     18          6           0        2.487557    3.323280   -1.703921
     19          6           0        2.601334    4.517788   -0.797545
     20          6           0        1.485311    5.341306   -0.578637
     21          6           0        1.586878    6.451404    0.263746
     22          6           0        2.799997    6.750309    0.891774
     23          6           0        3.915489    5.936999    0.668556
     24          6           0        3.820044    4.825781   -0.173434
     25          6           0        3.290957    1.582600   -0.000214
     26          6           0        3.096371    0.146825    0.497945
     27          8           0        2.586944    0.207517    1.848184
     28          6           0        4.409870   -0.674047    0.661817
     29          6           0        5.173822   -0.794876   -0.667375
     30          6           0        6.546621   -1.374654   -0.466955
     31          6           0        6.757957   -2.751554   -0.637089
     32          6           0        8.034207   -3.290125   -0.457751
     33          6           0        9.105538   -2.461350   -0.107746
     34          6           0        8.895758   -1.089805    0.065170
     35          6           0        7.621064   -0.544703   -0.112529
     36          7           0        4.059926   -2.019440    1.218463
     37          6           0        3.222895   -2.848164    0.467704
     38          8           0        3.139025   -2.955043   -0.745494
     39          8           0        2.470838   -3.638317    1.327441
     40          6           0        1.493792   -4.522781    0.689722
     41          6           0        0.437761   -3.728929    0.031666
     42          6           0       -0.907508   -3.668755    0.277993
     43          7           0       -1.631892   -2.785151   -0.547946
     44          6           0       -0.843488   -2.177914   -1.416924
     45         16           0        0.849277   -2.630772   -1.264499
     46          6           0       -1.137796    0.921931    2.126344
     47          6           0       -0.683857   -0.528719    2.291868
     48          6           0       -0.170089    1.877147    2.829174
     49          6           0       -5.596967   -0.068762    0.826524
     50         16           0       -7.193094    0.017874    1.503476
     51          1           0      -10.860259   -2.246106    0.826036
     52          1           0       -9.222081   -2.897792    0.955218
     53          1           0       -9.727137   -1.553577    1.987693
     54          1           0       -9.518025   -1.459819   -1.108885
     55          1           0      -10.046147    0.819751    0.932882
     56          1           0       -9.763881    1.040964   -0.798626
     57          1           0      -11.189681    0.159503   -0.237170
     58          1           0       -3.727879   -1.518958   -0.829542
     59          1           0       -4.844823   -1.520054   -2.214049
     60          1           0       -4.846907    0.429181   -3.779055
     61          1           0       -4.270221    2.011688   -3.171246
     62          1           0       -5.748248    1.275483   -2.481937
     63          1           0       -2.316255   -0.443818    0.059909
     64          1           0       -1.568206    2.428228    0.580878
     65          1           0        0.699010    3.000741    0.225962
     66          1           0        2.050526    1.190588   -1.757104
     67          1           0        1.702275    3.503908   -2.472216
     68          1           0        3.423465    3.195321   -2.287279
     69          1           0        0.539782    5.126002   -1.076233
     70          1           0        0.717907    7.087959    0.427331
     71          1           0        2.877128    7.615220    1.547404
     72          1           0        4.863731    6.171209    1.150743
     73          1           0        4.695791    4.204440   -0.347009
     74          1           0        3.320748    2.265408    0.876334
     75          1           0        4.273764    1.699138   -0.497436
     76          1           0        2.364812   -0.406063   -0.146294
     77          1           0        1.596050    0.103046    1.845072
     78          1           0        5.060124   -0.181329    1.435390
     79          1           0        4.590533   -1.420912   -1.386786
     80          1           0        5.243660    0.204062   -1.147191
     81          1           0        5.920764   -3.398250   -0.902266
     82          1           0        8.194305   -4.358873   -0.590176
     83          1           0       10.098441   -2.882982    0.030205
     84          1           0        9.727549   -0.443507    0.339220
     85          1           0        7.466248    0.522146    0.025061
     86          1           0        3.883851   -2.004882    2.233226
     87          1           0        1.135599   -5.098856    1.566331
     88          1           0        2.034035   -5.185888   -0.016348
     89          1           0       -1.461944   -4.227347    1.024059
     90          1           0       -1.168621   -1.438390   -2.143161
     91          1           0       -2.149692    1.029957    2.601193
     92          1           0       -1.373216   -1.235649    1.810203
     93          1           0        0.308327   -0.713597    1.845675
     94          1           0       -0.624312   -0.808188    3.350385
     95          1           0       -0.160136    1.693783    3.911815
     96          1           0        0.868999    1.754526    2.487039
     97          1           0       -0.448207    2.927129    2.690426
     98          1           0       -4.730459    0.291182    1.358409
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0824282      0.0286743      0.0232105
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3658.3254711897 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258341673940     A.U. after   15 cycles
             Convg  =    0.5299D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007340    0.000004249   -0.000002214
      2        6           0.000001080    0.000008033   -0.000010737
      3        6           0.000014050   -0.000002115   -0.000006349
      4        6           0.000011105   -0.000020636   -0.000045525
      5        7          -0.000061236   -0.000003245    0.000037805
      6        6           0.000083541    0.000113807    0.000000000
      7        6          -0.000055421   -0.000018603    0.000000757
      8        7           0.000064512    0.000016703   -0.000040531
      9        6           0.000008929   -0.000031363   -0.000014054
     10        6          -0.000123253    0.000126390   -0.000094058
     11        8           0.000081196   -0.000073230   -0.000090476
     12        7           0.000050398    0.000165512    0.000206903
     13        6          -0.000016104   -0.000089045    0.000061571
     14        6          -0.000038342    0.000150952   -0.000035230
     15        8          -0.000022234   -0.000041075   -0.000046682
     16        7          -0.000060107   -0.000078427    0.000138789
     17        6           0.000011665    0.000030274   -0.000037390
     18        6          -0.000007225   -0.000004699   -0.000024934
     19        6          -0.000009156    0.000019429   -0.000011306
     20        6          -0.000005046    0.000008239   -0.000016520
     21        6          -0.000000857   -0.000006058   -0.000000481
     22        6           0.000003260   -0.000001084   -0.000000296
     23        6          -0.000001496    0.000001527    0.000000938
     24        6           0.000005855   -0.000010243    0.000023795
     25        6           0.000039853    0.000082445    0.000066834
     26        6           0.000063090   -0.000055225   -0.000084536
     27        8           0.000123456    0.000193257    0.000021741
     28        6          -0.000254251    0.000015494   -0.000063199
     29        6           0.000098387   -0.000072959   -0.000022673
     30        6          -0.000011172    0.000048933    0.000024471
     31        6          -0.000007461   -0.000040408   -0.000007174
     32        6           0.000016894    0.000005702   -0.000001525
     33        6          -0.000007675   -0.000016648   -0.000006100
     34        6          -0.000022506   -0.000000596    0.000009888
     35        6           0.000029684   -0.000001526   -0.000003224
     36        7           0.000007033   -0.000010515    0.000103805
     37        6           0.000073115   -0.000110663   -0.000066756
     38        8          -0.000020839    0.000094988   -0.000036251
     39        8           0.000013331    0.000218658    0.000128303
     40        6          -0.000173346   -0.000076611   -0.000320357
     41        6           0.000226450   -0.000013748    0.000555290
     42        6          -0.000240166   -0.000071366   -0.000073770
     43        7           0.000111797    0.000090226   -0.000048399
     44        6          -0.000001863    0.000025453    0.000048492
     45       16          -0.000109615   -0.000074056   -0.000351066
     46        6           0.000042127   -0.000082945   -0.000039716
     47        6          -0.000124975   -0.000077252   -0.000023534
     48        6          -0.000034213   -0.000001906    0.000004054
     49        6           0.000070386   -0.000074447    0.000035043
     50       16          -0.000009044   -0.000000566    0.000022930
     51        1          -0.000009428   -0.000005642    0.000001769
     52        1           0.000003786    0.000003888    0.000006213
     53        1          -0.000005311   -0.000000378    0.000010690
     54        1           0.000006465   -0.000014216    0.000004243
     55        1           0.000009373    0.000001682    0.000002074
     56        1           0.000006161    0.000003297    0.000007380
     57        1          -0.000011014   -0.000002427   -0.000005134
     58        1          -0.000051429    0.000019206    0.000018827
     59        1           0.000030964   -0.000006132   -0.000002246
     60        1          -0.000017449   -0.000006830   -0.000007434
     61        1           0.000005712    0.000004259    0.000003021
     62        1          -0.000012051    0.000009482    0.000002191
     63        1           0.000041649   -0.000064518   -0.000071951
     64        1          -0.000023227   -0.000054299   -0.000065884
     65        1           0.000024824   -0.000028822   -0.000032103
     66        1           0.000000747   -0.000022297    0.000025629
     67        1           0.000009805    0.000013303    0.000023121
     68        1          -0.000003358   -0.000002202   -0.000014546
     69        1           0.000004327    0.000005400    0.000006351
     70        1           0.000003542    0.000000457   -0.000000423
     71        1          -0.000003053    0.000001936    0.000000640
     72        1          -0.000001220   -0.000000303    0.000001034
     73        1          -0.000005973    0.000001287   -0.000004631
     74        1          -0.000003332   -0.000038334   -0.000001851
     75        1          -0.000000963   -0.000053699    0.000008102
     76        1          -0.000038395    0.000010795    0.000051951
     77        1          -0.000025926   -0.000150077   -0.000074519
     78        1          -0.000025638   -0.000000587    0.000002557
     79        1          -0.000020972    0.000003660   -0.000010869
     80        1           0.000016375    0.000010911   -0.000023578
     81        1           0.000019854    0.000021749   -0.000011395
     82        1          -0.000006067    0.000002763    0.000003709
     83        1           0.000005020    0.000007088    0.000002889
     84        1           0.000004538   -0.000003341   -0.000004386
     85        1          -0.000009335   -0.000009987   -0.000006200
     86        1           0.000078391   -0.000014700   -0.000018737
     87        1           0.000104400    0.000056053    0.000242829
     88        1          -0.000029196   -0.000022143   -0.000021850
     89        1           0.000041296   -0.000002341    0.000023263
     90        1           0.000019900   -0.000025344   -0.000021352
     91        1          -0.000052965   -0.000033316    0.000014587
     92        1           0.000011482    0.000036343    0.000038625
     93        1          -0.000014267   -0.000010045    0.000015190
     94        1           0.000020316    0.000069648    0.000031730
     95        1           0.000014313    0.000020155   -0.000017573
     96        1           0.000055510    0.000002094    0.000023414
     97        1           0.000004515   -0.000009562   -0.000024687
     98        1          -0.000013625    0.000017077    0.000002975
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000555290 RMS     0.000071007

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000337246 RMS     0.000046400
 Search for a local minimum.
 Step number  64 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   56   57   58   59   60
                                                     61   62   63   64
 DE= -5.49D-06 DEPred=-4.46D-06 R= 1.23D+00
 SS=  1.41D+00  RLast= 2.95D-02 DXNew= 1.2520D+00 8.8641D-02
 Trust test= 1.23D+00 RLast= 2.95D-02 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00061   0.00165   0.00203   0.00250   0.00271
     Eigenvalues ---    0.00341   0.00408   0.00465   0.00555   0.00649
     Eigenvalues ---    0.00662   0.00739   0.00809   0.00894   0.00960
     Eigenvalues ---    0.00985   0.01052   0.01103   0.01180   0.01290
     Eigenvalues ---    0.01321   0.01390   0.01443   0.01461   0.01491
     Eigenvalues ---    0.01619   0.01641   0.01708   0.01743   0.01756
     Eigenvalues ---    0.01926   0.01994   0.02092   0.02104   0.02194
     Eigenvalues ---    0.02203   0.02220   0.02243   0.02258   0.02268
     Eigenvalues ---    0.02290   0.02329   0.02373   0.02404   0.02409
     Eigenvalues ---    0.02414   0.02447   0.02482   0.02485   0.02515
     Eigenvalues ---    0.02527   0.02528   0.02623   0.02688   0.02729
     Eigenvalues ---    0.02850   0.02984   0.03346   0.03735   0.03981
     Eigenvalues ---    0.04014   0.04125   0.04173   0.04230   0.04359
     Eigenvalues ---    0.04587   0.04688   0.04924   0.04962   0.05081
     Eigenvalues ---    0.05142   0.05216   0.05244   0.05351   0.05407
     Eigenvalues ---    0.05448   0.05496   0.05529   0.05591   0.05609
     Eigenvalues ---    0.05643   0.05723   0.05808   0.05861   0.05874
     Eigenvalues ---    0.05900   0.05987   0.06097   0.06160   0.06285
     Eigenvalues ---    0.06498   0.06724   0.06885   0.07082   0.07092
     Eigenvalues ---    0.07524   0.07965   0.08380   0.08597   0.08817
     Eigenvalues ---    0.09426   0.09839   0.09888   0.10334   0.11331
     Eigenvalues ---    0.12141   0.12899   0.13126   0.13269   0.13479
     Eigenvalues ---    0.13820   0.14030   0.14513   0.15491   0.15701
     Eigenvalues ---    0.15756   0.15828   0.15962   0.15978   0.15980
     Eigenvalues ---    0.15990   0.15996   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16005   0.16011   0.16024
     Eigenvalues ---    0.16041   0.16062   0.16089   0.16106   0.16138
     Eigenvalues ---    0.16199   0.16317   0.16648   0.16889   0.17265
     Eigenvalues ---    0.17310   0.17956   0.18102   0.18633   0.19034
     Eigenvalues ---    0.19461   0.19814   0.20547   0.20877   0.21738
     Eigenvalues ---    0.21846   0.21992   0.22000   0.22001   0.22017
     Eigenvalues ---    0.22034   0.22344   0.22543   0.23145   0.23301
     Eigenvalues ---    0.23443   0.23502   0.23678   0.23801   0.24141
     Eigenvalues ---    0.24395   0.24752   0.24807   0.24977   0.25026
     Eigenvalues ---    0.25126   0.25266   0.25557   0.26119   0.26839
     Eigenvalues ---    0.28252   0.29258   0.29551   0.29739   0.29835
     Eigenvalues ---    0.29948   0.30110   0.30287   0.30457   0.30627
     Eigenvalues ---    0.30659   0.30837   0.31298   0.31407   0.31427
     Eigenvalues ---    0.31490   0.31506   0.31650   0.31672   0.31853
     Eigenvalues ---    0.31989   0.32111   0.32310   0.32416   0.32553
     Eigenvalues ---    0.32618   0.32676   0.32800   0.32827   0.32846
     Eigenvalues ---    0.32961   0.32967   0.33062   0.33087   0.33136
     Eigenvalues ---    0.33178   0.33272   0.33390   0.33557   0.33587
     Eigenvalues ---    0.33674   0.33746   0.33855   0.33937   0.33970
     Eigenvalues ---    0.34039   0.34197   0.34234   0.34282   0.34451
     Eigenvalues ---    0.34464   0.34516   0.34585   0.34713   0.35278
     Eigenvalues ---    0.35383   0.36244   0.36311   0.36376   0.36453
     Eigenvalues ---    0.36631   0.36835   0.36949   0.37144   0.37401
     Eigenvalues ---    0.38471   0.38818   0.39374   0.40346   0.40904
     Eigenvalues ---    0.40964   0.41750   0.42509   0.42579   0.43055
     Eigenvalues ---    0.43309   0.43678   0.43982   0.44836   0.45243
     Eigenvalues ---    0.45770   0.46911   0.47568   0.48367   0.48566
     Eigenvalues ---    0.48602   0.48906   0.49009   0.49438   0.50164
     Eigenvalues ---    0.50419   0.50938   0.51263   0.51405   0.52746
     Eigenvalues ---    0.56431   0.58696   0.59289   0.60391   0.62843
     Eigenvalues ---    0.65194   0.65979   0.77080   0.78886   0.84802
     Eigenvalues ---    1.33350   1.79983   3.943961000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    64   63   62   61   60
 RFO step:  Lambda=-2.06138183D-06.
 DIIS coeffs:      2.06754     -0.73368     -0.44100      0.04133      0.06581
 Iteration  1 RMS(Cart)=  0.01607850 RMS(Int)=  0.00008917
 Iteration  2 RMS(Cart)=  0.00017404 RMS(Int)=  0.00000082
 Iteration  3 RMS(Cart)=  0.00000002 RMS(Int)=  0.00000082
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89454   0.00002  -0.00002  -0.00002  -0.00004   2.89450
    R2        2.07198  -0.00001   0.00002  -0.00001   0.00001   2.07199
    R3        2.07386   0.00000   0.00001   0.00000   0.00000   2.07386
    R4        2.07187   0.00001  -0.00002   0.00001  -0.00001   2.07186
    R5        2.89452   0.00001   0.00005  -0.00003   0.00002   2.89454
    R6        2.82779   0.00002   0.00004  -0.00001   0.00003   2.82781
    R7        2.13135  -0.00002   0.00000  -0.00002  -0.00002   2.13133
    R8        2.07205   0.00000   0.00001   0.00000   0.00001   2.07206
    R9        2.07356  -0.00001   0.00001  -0.00001   0.00000   2.07356
   R10        2.07201  -0.00001  -0.00002  -0.00003  -0.00005   2.07197
   R11        2.47779   0.00003  -0.00008  -0.00004  -0.00011   2.47768
   R12        3.37393   0.00001   0.00020   0.00019   0.00039   3.37432
   R13        2.68320  -0.00004   0.00004   0.00006   0.00010   2.68330
   R14        2.83996   0.00011  -0.00013   0.00040   0.00026   2.84022
   R15        2.58060   0.00008  -0.00009   0.00011   0.00001   2.58062
   R16        2.80674   0.00008   0.00011   0.00018   0.00029   2.80703
   R17        2.11700   0.00005  -0.00007   0.00004  -0.00003   2.11697
   R18        2.11781  -0.00001  -0.00015  -0.00007  -0.00022   2.11759
   R19        2.81492   0.00000   0.00015  -0.00018  -0.00003   2.81489
   R20        2.68363   0.00003   0.00004  -0.00009  -0.00005   2.68358
   R21        2.08287   0.00000   0.00002  -0.00001   0.00001   2.08287
   R22        2.09171  -0.00001  -0.00002  -0.00008  -0.00011   2.09161
   R23        2.08310  -0.00001   0.00006   0.00002   0.00008   2.08318
   R24        2.31693   0.00013  -0.00001   0.00005   0.00004   2.31697
   R25        2.69590   0.00017   0.00012   0.00029   0.00041   2.69631
   R26        2.79776   0.00021   0.00000   0.00016   0.00016   2.79792
   R27        1.94777  -0.00010  -0.00003  -0.00006  -0.00009   1.94768
   R28        2.91755   0.00001   0.00006  -0.00009  -0.00003   2.91752
   R29        2.94222   0.00005  -0.00005  -0.00002  -0.00007   2.94215
   R30        2.13555   0.00006   0.00008   0.00016   0.00024   2.13579
   R31        2.32233  -0.00003  -0.00015  -0.00020  -0.00035   2.32198
   R32        2.61974  -0.00003   0.00013   0.00015   0.00028   2.62002
   R33        2.81427  -0.00007  -0.00002  -0.00007  -0.00009   2.81417
   R34        1.92472   0.00004  -0.00004   0.00004   0.00001   1.92473
   R35        2.91960   0.00000   0.00011  -0.00002   0.00009   2.91969
   R36        2.91687  -0.00006  -0.00022  -0.00021  -0.00043   2.91644
   R37        2.13451  -0.00003  -0.00010  -0.00005  -0.00015   2.13436
   R38        2.84171  -0.00002  -0.00006  -0.00008  -0.00015   2.84156
   R39        2.10395   0.00000   0.00001  -0.00002  -0.00001   2.10394
   R40        2.09802   0.00001   0.00000   0.00005   0.00004   2.09807
   R41        2.65344   0.00000  -0.00003  -0.00003  -0.00007   2.65337
   R42        2.65211   0.00001   0.00002   0.00004   0.00006   2.65217
   R43        2.64038   0.00001   0.00001   0.00004   0.00005   2.64042
   R44        2.05970   0.00001   0.00000   0.00000  -0.00001   2.05969
   R45        2.64252   0.00000  -0.00004  -0.00001  -0.00004   2.64248
   R46        2.05891   0.00000   0.00000   0.00001   0.00001   2.05892
   R47        2.64266   0.00000   0.00001   0.00004   0.00005   2.64271
   R48        2.05613   0.00000   0.00000   0.00001   0.00000   2.05613
   R49        2.64079   0.00000  -0.00003  -0.00002  -0.00005   2.64075
   R50        2.05843   0.00000   0.00001   0.00001   0.00001   2.05845
   R51        2.05549   0.00001   0.00001   0.00001   0.00003   2.05551
   R52        2.89534  -0.00003  -0.00007  -0.00007  -0.00014   2.89520
   R53        2.10045   0.00003   0.00004   0.00000   0.00004   2.10048
   R54        2.09301   0.00001   0.00016   0.00017   0.00033   2.09334
   R55        2.72955  -0.00001   0.00009  -0.00005   0.00004   2.72959
   R56        2.94334   0.00008   0.00011   0.00009   0.00020   2.94355
   R57        2.11776  -0.00001  -0.00007  -0.00010  -0.00017   2.11759
   R58        1.88291  -0.00010  -0.00008  -0.00020  -0.00028   1.88262
   R59        2.90611  -0.00004  -0.00007  -0.00015  -0.00022   2.90589
   R60        2.82980   0.00015  -0.00009   0.00008  -0.00001   2.82978
   R61        2.12459   0.00001   0.00008   0.00008   0.00015   2.12474
   R62        2.84144  -0.00001  -0.00007   0.00000  -0.00007   2.84137
   R63        2.11252   0.00000  -0.00008   0.00005  -0.00003   2.11249
   R64        2.09834   0.00002   0.00005   0.00007   0.00013   2.09847
   R65        2.65199  -0.00003  -0.00002   0.00002   0.00000   2.65200
   R66        2.65159   0.00001  -0.00001   0.00002   0.00001   2.65160
   R67        2.63956  -0.00001  -0.00003  -0.00001  -0.00004   2.63952
   R68        2.06095   0.00003   0.00000   0.00005   0.00005   2.06100
   R69        2.64367   0.00001   0.00001   0.00004   0.00004   2.64372
   R70        2.05745   0.00001   0.00000   0.00001   0.00001   2.05747
   R71        2.64227   0.00000  -0.00004   0.00001  -0.00003   2.64224
   R72        2.05508   0.00000   0.00000   0.00000   0.00000   2.05508
   R73        2.64126   0.00002   0.00001   0.00003   0.00004   2.64131
   R74        2.05684   0.00000   0.00000   0.00000   0.00000   2.05684
   R75        2.05369   0.00001   0.00001   0.00001   0.00002   2.05371
   R76        2.63957   0.00008  -0.00008   0.00029   0.00021   2.63978
   R77        1.94647   0.00002  -0.00001   0.00028   0.00027   1.94674
   R78        2.30694   0.00009   0.00010   0.00001   0.00011   2.30705
   R79        2.62467   0.00016  -0.00033   0.00006  -0.00027   2.62439
   R80        2.76674  -0.00012   0.00011   0.00001   0.00012   2.76687
   R81        2.78915  -0.00005  -0.00019   0.00004  -0.00015   2.78900
   R82        2.09462   0.00027   0.00013   0.00027   0.00040   2.09502
   R83        2.09590   0.00001  -0.00017   0.00005  -0.00012   2.09578
   R84        2.58696  -0.00013   0.00009   0.00006   0.00015   2.58711
   R85        3.30315   0.00034  -0.00013   0.00018   0.00005   3.30320
   R86        2.66422   0.00008  -0.00015  -0.00005  -0.00020   2.66402
   R87        2.04932   0.00004  -0.00008   0.00007  -0.00002   2.04930
   R88        2.49661   0.00002   0.00013   0.00006   0.00019   2.49680
   R89        3.32386   0.00005  -0.00018   0.00002  -0.00016   3.32369
   R90        2.05279   0.00003  -0.00010  -0.00001  -0.00011   2.05269
   R91        2.88939   0.00011  -0.00006   0.00004  -0.00003   2.88937
   R92        2.89249  -0.00002  -0.00001   0.00016   0.00016   2.89265
   R93        2.12213  -0.00005  -0.00010  -0.00004  -0.00014   2.12198
   R94        2.07609   0.00004  -0.00026   0.00011  -0.00015   2.07594
   R95        2.08530   0.00001   0.00015  -0.00013   0.00003   2.08533
   R96        2.07191   0.00001   0.00013  -0.00006   0.00007   2.07197
   R97        2.07512  -0.00002  -0.00004   0.00004   0.00000   2.07512
   R98        2.08024  -0.00006  -0.00007  -0.00007  -0.00014   2.08010
   R99        2.06928   0.00002  -0.00001   0.00011   0.00010   2.06939
   R100       3.28040  -0.00001   0.00014   0.00014   0.00027   3.28067
   R101       2.03819  -0.00001  -0.00005  -0.00005  -0.00009   2.03809
    A1        1.93474   0.00000   0.00002  -0.00002   0.00000   1.93474
    A2        1.94452   0.00001  -0.00004   0.00001  -0.00004   1.94448
    A3        1.96110   0.00001   0.00004   0.00006   0.00011   1.96121
    A4        1.87396  -0.00001   0.00001   0.00000   0.00001   1.87397
    A5        1.87003   0.00000  -0.00005  -0.00005  -0.00011   1.86992
    A6        1.87533  -0.00001   0.00002   0.00000   0.00002   1.87535
    A7        1.95154   0.00000   0.00006   0.00000   0.00006   1.95160
    A8        1.92623  -0.00001   0.00011   0.00008   0.00019   1.92643
    A9        1.88886   0.00000  -0.00011   0.00002  -0.00009   1.88878
   A10        1.92646   0.00002  -0.00014  -0.00005  -0.00019   1.92627
   A11        1.88940  -0.00001   0.00004  -0.00003   0.00001   1.88941
   A12        1.87911   0.00000   0.00003  -0.00002   0.00001   1.87912
   A13        1.96105   0.00001  -0.00005  -0.00001  -0.00006   1.96099
   A14        1.94507   0.00000   0.00003   0.00000   0.00003   1.94510
   A15        1.93477  -0.00001   0.00003  -0.00002   0.00001   1.93479
   A16        1.87485   0.00000  -0.00003   0.00000  -0.00004   1.87482
   A17        1.86972   0.00000   0.00005   0.00002   0.00007   1.86979
   A18        1.87417   0.00000  -0.00002   0.00001  -0.00001   1.87416
   A19        2.20965   0.00001   0.00008   0.00015   0.00023   2.20988
   A20        2.11713  -0.00002  -0.00011  -0.00016  -0.00027   2.11686
   A21        1.95640   0.00001   0.00003   0.00001   0.00004   1.95644
   A22        1.96132   0.00001  -0.00005   0.00006   0.00000   1.96133
   A23        2.05021   0.00001   0.00038   0.00021   0.00059   2.05081
   A24        2.01118  -0.00002   0.00011  -0.00005   0.00007   2.01124
   A25        2.22177   0.00001  -0.00049  -0.00016  -0.00066   2.22111
   A26        1.98003   0.00007  -0.00024  -0.00002  -0.00026   1.97978
   A27        1.92062   0.00000   0.00007   0.00043   0.00050   1.92112
   A28        1.92208  -0.00004   0.00014  -0.00022  -0.00008   1.92200
   A29        1.92167  -0.00002  -0.00014  -0.00016  -0.00030   1.92137
   A30        1.87931  -0.00002   0.00003  -0.00019  -0.00017   1.87914
   A31        1.83407   0.00001   0.00017   0.00016   0.00032   1.83439
   A32        1.98618   0.00002   0.00001   0.00009   0.00010   1.98628
   A33        2.11402   0.00004  -0.00034  -0.00002  -0.00037   2.11365
   A34        2.00751  -0.00005   0.00009  -0.00012  -0.00003   2.00748
   A35        1.89610  -0.00001  -0.00006  -0.00012  -0.00017   1.89593
   A36        1.92298   0.00001   0.00016  -0.00007   0.00010   1.92308
   A37        1.96681   0.00000   0.00006   0.00000   0.00006   1.96686
   A38        1.89024   0.00000   0.00004   0.00011   0.00015   1.89039
   A39        1.89808   0.00001  -0.00022  -0.00004  -0.00026   1.89782
   A40        1.88810   0.00000   0.00002   0.00011   0.00013   1.88823
   A41        2.12906  -0.00007   0.00026  -0.00011   0.00015   2.12921
   A42        2.05038   0.00006  -0.00023   0.00008  -0.00015   2.05023
   A43        2.10293   0.00001  -0.00005   0.00007   0.00002   2.10295
   A44        2.02635   0.00000  -0.00030   0.00000  -0.00031   2.02604
   A45        2.06507  -0.00001  -0.00005  -0.00009  -0.00014   2.06493
   A46        1.98827   0.00001   0.00006  -0.00021  -0.00015   1.98811
   A47        1.92462   0.00003   0.00002  -0.00009  -0.00007   1.92454
   A48        1.90568   0.00009  -0.00006  -0.00015  -0.00021   1.90547
   A49        1.87330  -0.00003  -0.00024   0.00034   0.00010   1.87340
   A50        1.94250  -0.00010   0.00019  -0.00008   0.00011   1.94261
   A51        1.91513   0.00001   0.00003  -0.00006  -0.00003   1.91510
   A52        1.90114   0.00000   0.00005   0.00005   0.00010   1.90124
   A53        2.14744   0.00012   0.00030   0.00031   0.00061   2.14805
   A54        2.02069  -0.00010  -0.00023  -0.00013  -0.00036   2.02033
   A55        2.11499  -0.00002  -0.00008  -0.00018  -0.00026   2.11473
   A56        2.12481  -0.00009   0.00012  -0.00014  -0.00003   2.12478
   A57        2.12096   0.00005   0.00007   0.00033   0.00039   2.12134
   A58        2.03504   0.00003   0.00004   0.00010   0.00012   2.03516
   A59        1.91381   0.00005   0.00009   0.00007   0.00016   1.91396
   A60        1.92820  -0.00014  -0.00005  -0.00005  -0.00010   1.92811
   A61        1.87648   0.00003   0.00008   0.00003   0.00012   1.87660
   A62        1.95971   0.00009  -0.00009  -0.00009  -0.00018   1.95954
   A63        1.88521  -0.00004  -0.00019  -0.00002  -0.00021   1.88500
   A64        1.89798   0.00000   0.00016   0.00006   0.00022   1.89820
   A65        1.99662   0.00000   0.00018  -0.00002   0.00017   1.99678
   A66        1.89552  -0.00002  -0.00005  -0.00009  -0.00014   1.89538
   A67        1.89872   0.00001  -0.00010   0.00002  -0.00008   1.89865
   A68        1.91816   0.00001  -0.00001  -0.00003  -0.00005   1.91812
   A69        1.92247   0.00000   0.00001   0.00008   0.00009   1.92257
   A70        1.82419   0.00000  -0.00005   0.00004  -0.00001   1.82418
   A71        2.09406  -0.00001   0.00004   0.00000   0.00005   2.09411
   A72        2.10373   0.00001  -0.00005  -0.00001  -0.00006   2.10367
   A73        2.08536   0.00000   0.00001   0.00001   0.00002   2.08537
   A74        2.09692   0.00000  -0.00001  -0.00001  -0.00001   2.09691
   A75        2.09725   0.00000   0.00003   0.00002   0.00005   2.09730
   A76        2.08891   0.00000  -0.00002  -0.00002  -0.00004   2.08887
   A77        2.09863   0.00000   0.00001   0.00000   0.00001   2.09863
   A78        2.09062   0.00000  -0.00002  -0.00002  -0.00004   2.09058
   A79        2.09393   0.00000   0.00001   0.00002   0.00003   2.09396
   A80        2.08978   0.00000   0.00000   0.00000   0.00000   2.08978
   A81        2.09675   0.00000   0.00002   0.00002   0.00004   2.09679
   A82        2.09664   0.00000  -0.00002  -0.00002  -0.00004   2.09660
   A83        2.09920   0.00000   0.00000  -0.00001  -0.00001   2.09919
   A84        2.09288   0.00000  -0.00001  -0.00001  -0.00002   2.09286
   A85        2.09110   0.00000   0.00001   0.00002   0.00003   2.09113
   A86        2.09643   0.00000  -0.00001   0.00000  -0.00001   2.09642
   A87        2.09766   0.00000  -0.00002  -0.00002  -0.00004   2.09762
   A88        2.08908   0.00000   0.00003   0.00002   0.00005   2.08913
   A89        1.94499  -0.00009   0.00041   0.00036   0.00078   1.94577
   A90        1.93137   0.00002   0.00005   0.00015   0.00020   1.93157
   A91        1.90968   0.00004  -0.00018  -0.00033  -0.00050   1.90918
   A92        1.89934   0.00004   0.00008   0.00008   0.00016   1.89950
   A93        1.93613   0.00003  -0.00032  -0.00011  -0.00044   1.93569
   A94        1.83963  -0.00003  -0.00007  -0.00019  -0.00025   1.83938
   A95        1.88531  -0.00006   0.00081   0.00058   0.00139   1.88670
   A96        2.00533  -0.00012  -0.00004   0.00031   0.00027   2.00559
   A97        1.93726   0.00008   0.00003   0.00023   0.00025   1.93751
   A98        1.79386   0.00016  -0.00108  -0.00113  -0.00220   1.79166
   A99        1.90486  -0.00004  -0.00013  -0.00008  -0.00021   1.90465
   A100       1.92941  -0.00001   0.00034   0.00000   0.00034   1.92974
   A101       1.92135   0.00005   0.00034   0.00043   0.00077   1.92212
   A102       1.94916  -0.00018   0.00041   0.00011   0.00052   1.94968
   A103       1.89182   0.00013  -0.00049  -0.00011  -0.00061   1.89122
   A104       1.90622   0.00003  -0.00017  -0.00018  -0.00035   1.90587
   A105       1.94635   0.00006   0.00052   0.00037   0.00090   1.94725
   A106       1.91965   0.00004  -0.00045   0.00004  -0.00041   1.91924
   A107       1.84745  -0.00007   0.00015  -0.00025  -0.00010   1.84735
   A108       1.94834  -0.00002  -0.00010  -0.00016  -0.00026   1.94808
   A109       1.91880   0.00003   0.00011   0.00012   0.00024   1.91904
   A110       1.91139   0.00000  -0.00012   0.00003  -0.00009   1.91130
   A111       1.92434  -0.00002   0.00011  -0.00004   0.00007   1.92441
   A112       1.92523   0.00002   0.00006   0.00021   0.00026   1.92549
   A113       1.83230  -0.00001  -0.00006  -0.00016  -0.00022   1.83208
   A114       2.09398  -0.00002   0.00008  -0.00005   0.00003   2.09401
   A115       2.09984   0.00001  -0.00006   0.00003  -0.00003   2.09981
   A116       2.08937   0.00001  -0.00001   0.00001   0.00000   2.08936
   A117       2.09478   0.00000  -0.00001   0.00000  -0.00001   2.09477
   A118       2.08939  -0.00001  -0.00001  -0.00003  -0.00005   2.08934
   A119       2.09899   0.00001   0.00002   0.00004   0.00006   2.09905
   A120       2.09834   0.00000   0.00003   0.00000   0.00002   2.09836
   A121       2.09120   0.00000  -0.00002   0.00001   0.00000   2.09120
   A122       2.09365   0.00000  -0.00001  -0.00001  -0.00002   2.09363
   A123       2.09112   0.00000  -0.00001   0.00001   0.00000   2.09111
   A124       2.09582  -0.00001   0.00002  -0.00003  -0.00002   2.09581
   A125       2.09625   0.00001   0.00000   0.00002   0.00002   2.09627
   A126       2.09863  -0.00001  -0.00001  -0.00001  -0.00002   2.09861
   A127       2.09317   0.00001   0.00001   0.00003   0.00004   2.09321
   A128       2.09138   0.00000   0.00001  -0.00002  -0.00002   2.09137
   A129       2.09414  -0.00001   0.00002  -0.00001   0.00001   2.09415
   A130       2.09849   0.00002   0.00002   0.00004   0.00006   2.09855
   A131       2.09056  -0.00001  -0.00005  -0.00003  -0.00007   2.09049
   A132       2.06382   0.00025   0.00038   0.00027   0.00064   2.06446
   A133       1.97519  -0.00006  -0.00051  -0.00032  -0.00084   1.97436
   A134       2.02136  -0.00011  -0.00038  -0.00021  -0.00059   2.02077
   A135       2.24883   0.00003   0.00031   0.00000   0.00031   2.24913
   A136       1.90636   0.00003  -0.00035   0.00015  -0.00020   1.90616
   A137       2.12721  -0.00007   0.00004  -0.00017  -0.00013   2.12708
   A138       2.02128  -0.00001   0.00076  -0.00002   0.00074   2.02202
   A139       1.92490   0.00002   0.00046  -0.00022   0.00024   1.92514
   A140       1.75701   0.00005  -0.00057   0.00016  -0.00041   1.75660
   A141       1.88958  -0.00005  -0.00034   0.00000  -0.00034   1.88924
   A142       1.98333  -0.00009   0.00002  -0.00012  -0.00010   1.98323
   A143       1.96736   0.00005   0.00018   0.00011   0.00030   1.96766
   A144       1.92853   0.00002   0.00015   0.00007   0.00022   1.92875
   A145       2.27382   0.00007  -0.00038  -0.00009  -0.00047   2.27335
   A146       2.09449  -0.00004   0.00041   0.00015   0.00057   2.09505
   A147       1.91470  -0.00003  -0.00003  -0.00007  -0.00011   1.91459
   A148       2.01202   0.00007   0.00002   0.00010   0.00012   2.01214
   A149       2.21876  -0.00001  -0.00012  -0.00005  -0.00017   2.21859
   A150       2.05237  -0.00006   0.00009  -0.00006   0.00003   2.05241
   A151       1.94634  -0.00002  -0.00004  -0.00006  -0.00010   1.94624
   A152       1.98120   0.00004  -0.00001   0.00007   0.00006   1.98126
   A153       2.18221  -0.00002  -0.00009  -0.00008  -0.00017   2.18203
   A154       2.11913  -0.00002   0.00006   0.00003   0.00009   2.11921
   A155       1.57024  -0.00005   0.00005  -0.00002   0.00002   1.57026
   A156       1.96576   0.00001  -0.00012  -0.00001  -0.00013   1.96563
   A157       1.92392   0.00000   0.00009   0.00012   0.00021   1.92412
   A158       1.85655   0.00001   0.00006  -0.00009  -0.00003   1.85652
   A159       1.93337  -0.00001  -0.00009  -0.00007  -0.00017   1.93320
   A160       1.88916   0.00001   0.00030   0.00016   0.00046   1.88961
   A161       1.89177  -0.00002  -0.00022  -0.00012  -0.00034   1.89143
   A162       1.95708   0.00001  -0.00011   0.00022   0.00011   1.95719
   A163       1.96288   0.00001   0.00014   0.00019   0.00033   1.96321
   A164       1.94172   0.00005   0.00023   0.00019   0.00043   1.94214
   A165       1.85365   0.00000   0.00009   0.00000   0.00009   1.85375
   A166       1.86851  -0.00006   0.00018  -0.00022  -0.00004   1.86847
   A167       1.87427  -0.00002  -0.00057  -0.00043  -0.00100   1.87327
   A168       1.93289  -0.00002  -0.00003  -0.00015  -0.00018   1.93271
   A169       1.96551   0.00001  -0.00003  -0.00006  -0.00009   1.96542
   A170       1.96020   0.00000  -0.00006   0.00010   0.00004   1.96024
   A171       1.85383   0.00001   0.00028   0.00010   0.00038   1.85420
   A172       1.86225   0.00001  -0.00014  -0.00010  -0.00024   1.86200
   A173       1.88302   0.00000   0.00000   0.00011   0.00011   1.88312
   A174       1.91615   0.00001  -0.00004   0.00003   0.00000   1.91615
   A175       2.23792  -0.00002  -0.00004   0.00007   0.00003   2.23794
   A176       2.12908   0.00001   0.00008  -0.00010  -0.00002   2.12906
   A177       1.57971  -0.00001  -0.00005  -0.00005  -0.00011   1.57961
    D1        1.09144  -0.00001  -0.00137  -0.00069  -0.00205   1.08939
    D2       -3.04018   0.00001  -0.00142  -0.00069  -0.00212  -3.04230
    D3       -0.98802   0.00000  -0.00138  -0.00067  -0.00205  -0.99007
    D4       -3.10596  -0.00001  -0.00137  -0.00069  -0.00206  -3.10802
    D5       -0.95440   0.00000  -0.00142  -0.00070  -0.00212  -0.95652
    D6        1.09776   0.00000  -0.00138  -0.00067  -0.00206   1.09571
    D7       -1.00044  -0.00001  -0.00134  -0.00065  -0.00199  -1.00243
    D8        1.15113   0.00000  -0.00140  -0.00065  -0.00205   1.14907
    D9       -3.07990   0.00000  -0.00136  -0.00063  -0.00198  -3.08188
   D10        1.00592  -0.00001  -0.00013   0.00003  -0.00009   1.00582
   D11        3.11118   0.00000  -0.00019   0.00003  -0.00016   3.11103
   D12       -1.08555   0.00000  -0.00018   0.00002  -0.00015  -1.08571
   D13       -1.14552   0.00000  -0.00021  -0.00003  -0.00025  -1.14576
   D14        0.95975   0.00000  -0.00027  -0.00004  -0.00031   0.95944
   D15        3.04620   0.00000  -0.00026  -0.00005  -0.00031   3.04589
   D16        3.08506  -0.00001  -0.00019   0.00004  -0.00015   3.08490
   D17       -1.09286   0.00000  -0.00025   0.00003  -0.00022  -1.09308
   D18        0.99359  -0.00001  -0.00024   0.00003  -0.00021   0.99337
   D19        2.06122  -0.00001   0.00111   0.00120   0.00231   2.06353
   D20       -1.08290   0.00000   0.00113   0.00159   0.00271  -1.08018
   D21       -2.05589  -0.00001   0.00117   0.00122   0.00239  -2.05350
   D22        1.08318   0.00000   0.00119   0.00161   0.00279   1.08597
   D23        0.00305  -0.00001   0.00115   0.00115   0.00230   0.00535
   D24       -3.14106   0.00000   0.00117   0.00153   0.00271  -3.13836
   D25       -3.13868   0.00000  -0.00005  -0.00016  -0.00020  -3.13888
   D26        0.00524  -0.00002  -0.00006  -0.00051  -0.00058   0.00466
   D27        3.13967   0.00000   0.00017   0.00016   0.00032   3.13999
   D28       -0.00411   0.00002   0.00018   0.00049   0.00068  -0.00343
   D29        3.13045   0.00001   0.00024   0.00025   0.00049   3.13094
   D30       -0.00407   0.00001  -0.00014   0.00027   0.00013  -0.00394
   D31        1.94557  -0.00002  -0.00999  -0.00962  -0.01960   1.92597
   D32       -2.17600   0.00001  -0.01028  -0.00951  -0.01979  -2.19579
   D33       -0.16210   0.00000  -0.00996  -0.00920  -0.01916  -0.18126
   D34       -1.20406  -0.00002  -0.00955  -0.00964  -0.01919  -1.22326
   D35        0.95755   0.00001  -0.00985  -0.00953  -0.01938   0.93817
   D36        2.97145   0.00000  -0.00953  -0.00922  -0.01875   2.95270
   D37        0.00084   0.00000   0.00027   0.00011   0.00038   0.00122
   D38       -3.13164  -0.00001   0.00037   0.00006   0.00043  -3.13121
   D39       -3.13287   0.00000  -0.00016   0.00013  -0.00002  -3.13289
   D40        0.01784  -0.00001  -0.00005   0.00008   0.00003   0.01787
   D41       -1.22962   0.00002  -0.00090  -0.00078  -0.00168  -1.23130
   D42        1.27909   0.00001  -0.00125  -0.00090  -0.00215   1.27694
   D43        2.89252  -0.00002  -0.00071  -0.00121  -0.00192   2.89060
   D44       -0.88196  -0.00003  -0.00106  -0.00133  -0.00239  -0.88435
   D45        0.90200  -0.00001  -0.00085  -0.00121  -0.00206   0.89994
   D46       -2.87248  -0.00002  -0.00120  -0.00133  -0.00253  -2.87501
   D47       -1.17021   0.00000  -0.00115  -0.00181  -0.00296  -1.17317
   D48        3.04488   0.00001  -0.00125  -0.00184  -0.00309   3.04179
   D49        0.93431   0.00000  -0.00143  -0.00194  -0.00337   0.93094
   D50        2.56429  -0.00003  -0.00066  -0.00173  -0.00239   2.56190
   D51        0.49620  -0.00002  -0.00076  -0.00176  -0.00252   0.49368
   D52       -1.61438  -0.00002  -0.00094  -0.00186  -0.00280  -1.61717
   D53       -2.76824   0.00002   0.00062   0.00093   0.00154  -2.76670
   D54        0.41671  -0.00004   0.00114  -0.00008   0.00106   0.41777
   D55       -0.26669   0.00004   0.00023   0.00087   0.00111  -0.26559
   D56        2.91826  -0.00003   0.00075  -0.00013   0.00062   2.91888
   D57        2.83395   0.00004   0.00056   0.00050   0.00106   2.83501
   D58        0.37344   0.00003   0.00096   0.00103   0.00199   0.37542
   D59       -0.26497  -0.00002   0.00106  -0.00048   0.00058  -0.26438
   D60       -2.72548  -0.00003   0.00146   0.00005   0.00151  -2.72397
   D61       -1.41899  -0.00003  -0.00034  -0.00198  -0.00232  -1.42130
   D62        2.72475   0.00002  -0.00054  -0.00173  -0.00227   2.72248
   D63        0.66649  -0.00002  -0.00044  -0.00190  -0.00233   0.66415
   D64        1.07114  -0.00003  -0.00075  -0.00244  -0.00319   1.06796
   D65       -1.06831   0.00002  -0.00096  -0.00219  -0.00314  -1.07145
   D66       -3.12657  -0.00001  -0.00085  -0.00236  -0.00321  -3.12978
   D67       -0.59579  -0.00002   0.00095   0.00277   0.00372  -0.59207
   D68        2.55773   0.00003   0.00165   0.00329   0.00495   2.56268
   D69        1.52190   0.00005   0.00101   0.00247   0.00348   1.52538
   D70       -1.60777   0.00009   0.00171   0.00299   0.00471  -1.60306
   D71       -2.65570  -0.00002   0.00121   0.00245   0.00366  -2.65204
   D72        0.49782   0.00003   0.00192   0.00297   0.00488   0.50270
   D73        1.17346   0.00004   0.00344   0.00292   0.00635   1.17982
   D74       -2.94071   0.00004   0.00329   0.00290   0.00620  -2.93451
   D75       -0.89334   0.00001   0.00311   0.00278   0.00588  -0.88746
   D76       -0.95524   0.00001   0.00333   0.00318   0.00651  -0.94873
   D77        1.21378   0.00000   0.00319   0.00317   0.00636   1.22013
   D78       -3.02205  -0.00002   0.00300   0.00304   0.00604  -3.01600
   D79       -3.06903   0.00006   0.00315   0.00327   0.00642  -3.06262
   D80       -0.90002   0.00006   0.00300   0.00326   0.00626  -0.89376
   D81        1.14735   0.00003   0.00282   0.00313   0.00595   1.15329
   D82        3.11864  -0.00006   0.00101   0.00054   0.00154   3.12018
   D83        0.05374  -0.00005  -0.00255  -0.00410  -0.00665   0.04709
   D84       -0.01127  -0.00002   0.00169   0.00104   0.00274  -0.00853
   D85       -3.07617  -0.00001  -0.00187  -0.00359  -0.00546  -3.08162
   D86        2.49603  -0.00002  -0.00337  -0.00441  -0.00779   2.48824
   D87       -1.61814   0.00004  -0.00346  -0.00452  -0.00797  -1.62611
   D88        0.45056  -0.00002  -0.00324  -0.00445  -0.00769   0.44286
   D89       -0.71867  -0.00002   0.00002   0.00001   0.00003  -0.71864
   D90        1.45034   0.00003  -0.00006  -0.00009  -0.00015   1.45019
   D91       -2.76414  -0.00002   0.00015  -0.00002   0.00013  -2.76401
   D92        1.04617  -0.00004   0.00010  -0.00041  -0.00031   1.04586
   D93       -1.10354  -0.00004   0.00003  -0.00029  -0.00026  -1.10379
   D94       -3.07924  -0.00004   0.00017  -0.00029  -0.00013  -3.07937
   D95       -1.10438   0.00003   0.00016  -0.00033  -0.00017  -1.10455
   D96        3.02910   0.00004   0.00009  -0.00021  -0.00012   3.02898
   D97        1.05340   0.00004   0.00022  -0.00021   0.00001   1.05341
   D98        3.08617   0.00000   0.00014  -0.00034  -0.00020   3.08596
   D99        0.93646   0.00000   0.00007  -0.00022  -0.00015   0.93631
   D100      -1.03924   0.00000   0.00020  -0.00022  -0.00002  -1.03926
   D101       1.19684  -0.00002  -0.00368  -0.00342  -0.00710   1.18974
   D102      -0.91910  -0.00002  -0.00410  -0.00387  -0.00797  -0.92707
   D103      -2.93870  -0.00001  -0.00394  -0.00354  -0.00748  -2.94618
   D104      -2.94390   0.00001  -0.00367  -0.00343  -0.00710  -2.95099
   D105       1.22335   0.00001  -0.00408  -0.00389  -0.00797   1.21538
   D106      -0.79625   0.00002  -0.00392  -0.00356  -0.00748  -0.80373
   D107      -0.85870   0.00002  -0.00385  -0.00347  -0.00732  -0.86602
   D108      -2.97464   0.00002  -0.00427  -0.00392  -0.00819  -2.98283
   D109       1.28894   0.00003  -0.00411  -0.00359  -0.00770   1.28124
   D110      -1.64655   0.00001   0.00067   0.00055   0.00122  -1.64532
   D111       1.50397   0.00000   0.00074   0.00044   0.00118   1.50515
   D112       0.49089  -0.00002   0.00072   0.00040   0.00112   0.49201
   D113      -2.64178  -0.00002   0.00080   0.00028   0.00108  -2.64070
   D114       2.49166  -0.00001   0.00066   0.00047   0.00113   2.49279
   D115      -0.64101  -0.00001   0.00073   0.00035   0.00109  -0.63992
   D116       3.14064   0.00000   0.00001  -0.00011  -0.00010   3.14055
   D117      -0.01642   0.00000  -0.00011  -0.00009  -0.00020  -0.01662
   D118      -0.00978   0.00000  -0.00006   0.00001  -0.00005  -0.00983
   D119       3.11634   0.00001  -0.00019   0.00003  -0.00016   3.11618
   D120      -3.14015   0.00000  -0.00004   0.00007   0.00002  -3.14013
   D121       0.00748   0.00000  -0.00003   0.00009   0.00006   0.00754
   D122       0.01032   0.00000   0.00003  -0.00005  -0.00002   0.01030
   D123      -3.12523   0.00000   0.00004  -0.00003   0.00002  -3.12522
   D124       0.00187   0.00000   0.00005   0.00003   0.00008   0.00194
   D125       3.13873   0.00000   0.00005   0.00006   0.00011   3.13884
   D126      -3.12433   0.00000   0.00018   0.00001   0.00018  -3.12415
   D127       0.01253   0.00000   0.00018   0.00004   0.00022   0.01275
   D128       0.00556   0.00000  -0.00001  -0.00002  -0.00003   0.00553
   D129       3.14158   0.00000  -0.00001   0.00001   0.00000   3.14158
   D130      -3.13130   0.00000   0.00000  -0.00006  -0.00006  -3.13136
   D131       0.00472   0.00000  -0.00001  -0.00002  -0.00003   0.00469
   D132      -0.00502   0.00000  -0.00003  -0.00002  -0.00005  -0.00506
   D133       3.13407   0.00000  -0.00005   0.00001  -0.00004   3.13404
   D134      -3.14104   0.00000  -0.00002  -0.00005  -0.00007  -3.14111
   D135      -0.00195   0.00000  -0.00004  -0.00002  -0.00006  -0.00201
   D136      -0.00295   0.00000   0.00001   0.00005   0.00007  -0.00288
   D137       3.13263   0.00000   0.00000   0.00003   0.00003   3.13266
   D138       3.14114   0.00000   0.00003   0.00003   0.00006   3.14120
   D139      -0.00646   0.00000   0.00002   0.00000   0.00003  -0.00644
   D140      -1.81091   0.00005  -0.00095  -0.00231  -0.00326  -1.81417
   D141       2.48182  -0.00003  -0.00012  -0.00147  -0.00159   2.48023
   D142       0.27677   0.00001  -0.00059  -0.00191  -0.00249   0.27428
   D143       0.32359   0.00004  -0.00057  -0.00183  -0.00239   0.32120
   D144      -1.66686  -0.00005   0.00026  -0.00098  -0.00072  -1.66758
   D145       2.41128   0.00000  -0.00020  -0.00142  -0.00163   2.40965
   D146       2.33981   0.00004  -0.00078  -0.00206  -0.00285   2.33697
   D147       0.34936  -0.00005   0.00004  -0.00122  -0.00118   0.34818
   D148      -1.85569  -0.00001  -0.00042  -0.00166  -0.00208  -1.85777
   D149       1.70252  -0.00004  -0.01391  -0.01889  -0.03279   1.66972
   D150      -2.45393  -0.00013  -0.01413  -0.01885  -0.03299  -2.48692
   D151      -0.40550  -0.00007  -0.01435  -0.01947  -0.03381  -0.43932
   D152      -1.04096   0.00002   0.00194   0.00320   0.00514  -1.03582
   D153       3.09128  -0.00004   0.00135   0.00274   0.00409   3.09537
   D154       1.08621  -0.00003   0.00153   0.00320   0.00472   1.09094
   D155      -3.08412   0.00005   0.00167   0.00307   0.00474  -3.07938
   D156       1.04812   0.00000   0.00108   0.00261   0.00369   1.05181
   D157      -0.95695   0.00000   0.00126   0.00306   0.00432  -0.95263
   D158       1.16812   0.00002   0.00224   0.00376   0.00600   1.17412
   D159      -0.98282  -0.00003   0.00165   0.00330   0.00495  -0.97788
   D160      -2.98789  -0.00003   0.00183   0.00375   0.00558  -2.98231
   D161       2.96906  -0.00004  -0.00177  -0.00166  -0.00343   2.96564
   D162      -1.17282  -0.00005  -0.00161  -0.00173  -0.00335  -1.17616
   D163       0.83181  -0.00005  -0.00169  -0.00184  -0.00353   0.82828
   D164      -1.19445   0.00005  -0.00174  -0.00147  -0.00321  -1.19766
   D165       0.94686   0.00003  -0.00158  -0.00154  -0.00312   0.94373
   D166       2.95148   0.00004  -0.00166  -0.00165  -0.00330   2.94818
   D167       0.84964   0.00002  -0.00152  -0.00153  -0.00304   0.84660
   D168       2.99095   0.00001  -0.00136  -0.00160  -0.00296   2.98799
   D169      -1.28761   0.00001  -0.00144  -0.00170  -0.00314  -1.29075
   D170       1.07378  -0.00001   0.00161   0.00342   0.00503   1.07881
   D171      -1.37220  -0.00006   0.00246   0.00387   0.00633  -1.36587
   D172      -1.07885   0.00008   0.00108   0.00312   0.00420  -1.07465
   D173       2.75835   0.00003   0.00194   0.00357   0.00551   2.76386
   D174       3.11697   0.00005   0.00125   0.00303   0.00427   3.12124
   D175       0.67098  -0.00001   0.00210   0.00348   0.00558   0.67656
   D176       1.66095   0.00001   0.00026  -0.00012   0.00014   1.66109
   D177      -1.48289   0.00001   0.00023  -0.00005   0.00017  -1.48271
   D178      -0.47719   0.00000   0.00011  -0.00014  -0.00003  -0.47722
   D179       2.66216   0.00000   0.00007  -0.00007   0.00000   2.66216
   D180      -2.49294   0.00001   0.00008  -0.00004   0.00003  -2.49290
   D181       0.64641   0.00001   0.00004   0.00002   0.00007   0.64648
   D182       3.13595   0.00000  -0.00009   0.00010   0.00001   3.13596
   D183      -0.01345   0.00001  -0.00006   0.00015   0.00009  -0.01337
   D184      -0.00341   0.00000  -0.00006   0.00004  -0.00002  -0.00343
   D185       3.13037   0.00001  -0.00003   0.00009   0.00006   3.13043
   D186      -3.13571   0.00000   0.00007  -0.00009  -0.00002  -3.13573
   D187       0.00625   0.00000   0.00009  -0.00009  -0.00001   0.00625
   D188       0.00364   0.00000   0.00004  -0.00002   0.00001   0.00366
   D189      -3.13758   0.00000   0.00005  -0.00003   0.00003  -3.13755
   D190       0.00056   0.00000   0.00003  -0.00002   0.00001   0.00057
   D191       3.14114   0.00000   0.00004  -0.00002   0.00002   3.14116
   D192      -3.13318   0.00000   0.00000  -0.00008  -0.00007  -3.13325
   D193       0.00740   0.00000   0.00001  -0.00007  -0.00006   0.00734
   D194       0.00207   0.00000   0.00001   0.00000   0.00001   0.00208
   D195      -3.14040   0.00000   0.00002   0.00000   0.00002  -3.14037
   D196      -3.13851   0.00000   0.00000   0.00000   0.00000  -3.13850
   D197       0.00221   0.00000   0.00001   0.00000   0.00001   0.00222
   D198      -0.00184   0.00000  -0.00003   0.00001  -0.00002  -0.00186
   D199       3.13969   0.00000  -0.00004   0.00000  -0.00004   3.13965
   D200       3.14063   0.00000  -0.00004   0.00001  -0.00003   3.14060
   D201      -0.00103   0.00000  -0.00005   0.00000  -0.00005  -0.00108
   D202      -0.00102   0.00000   0.00001   0.00000   0.00001  -0.00102
   D203       3.14020   0.00000  -0.00001   0.00001   0.00000   3.14020
   D204       3.14064   0.00000   0.00001   0.00001   0.00002   3.14066
   D205      -0.00133   0.00000   0.00000   0.00001   0.00001  -0.00131
   D206       0.58604  -0.00005   0.00195   0.00056   0.00251   0.58855
   D207      -2.59807  -0.00025   0.00168   0.00020   0.00188  -2.59619
   D208       3.01414   0.00003   0.00103   0.00006   0.00109   3.01524
   D209      -0.16996  -0.00017   0.00077  -0.00031   0.00046  -0.16950
   D210       3.09372   0.00009   0.00152   0.00044   0.00195   3.09567
   D211      -0.08686  -0.00009   0.00128   0.00011   0.00139  -0.08547
   D212      -1.14921  -0.00010  -0.00043  -0.00050  -0.00093  -1.15014
   D213       3.03424  -0.00004  -0.00035  -0.00035  -0.00070   3.03354
   D214       1.01074  -0.00006  -0.00013  -0.00050  -0.00063   1.01011
   D215      -2.04489  -0.00003  -0.00330  -0.00004  -0.00334  -2.04823
   D216       1.07411  -0.00001  -0.00344  -0.00055  -0.00399   1.07012
   D217      -0.08726  -0.00001  -0.00371  -0.00005  -0.00376  -0.09102
   D218       3.03174   0.00002  -0.00385  -0.00055  -0.00440   3.02734
   D219       2.12409  -0.00002  -0.00332   0.00004  -0.00328   2.12080
   D220      -1.04010   0.00001  -0.00346  -0.00046  -0.00393  -1.04403
   D221       3.13540   0.00005  -0.00045  -0.00011  -0.00056   3.13484
   D222      -0.01563   0.00002  -0.00165  -0.00103  -0.00268  -0.01831
   D223       0.01459   0.00002  -0.00032   0.00035   0.00003   0.01462
   D224      -3.13644   0.00000  -0.00153  -0.00056  -0.00210  -3.13853
   D225       3.14094  -0.00003  -0.00025   0.00040   0.00015   3.14108
   D226      -0.01897  -0.00001  -0.00037  -0.00001  -0.00038  -0.01935
   D227       0.00057  -0.00003   0.00112  -0.00063   0.00050   0.00107
   D228      -3.13253   0.00000   0.00221   0.00020   0.00241  -3.13013
   D229      -0.01576   0.00002  -0.00139   0.00060  -0.00079  -0.01655
   D230      -3.11881   0.00003  -0.00023   0.00017  -0.00006  -3.11887
   D231       0.02042   0.00000   0.00104  -0.00035   0.00069   0.02112
   D232       3.12503  -0.00002  -0.00007   0.00006  -0.00001   3.12502
   D233      -0.99536  -0.00001   0.00383   0.00745   0.01129  -0.98408
   D234       1.09237   0.00000   0.00397   0.00774   0.01171   1.10409
   D235      -3.08740   0.00002   0.00350   0.00746   0.01096  -3.07644
   D236       3.12402  -0.00001   0.00388   0.00736   0.01124   3.13526
   D237      -1.07143   0.00000   0.00401   0.00765   0.01167  -1.05976
   D238       1.03199   0.00002   0.00355   0.00736   0.01091   1.04290
   D239       1.05223   0.00001   0.00402   0.00745   0.01147   1.06370
   D240       3.13996   0.00002   0.00416   0.00774   0.01189  -3.13133
   D241      -1.03981   0.00004   0.00369   0.00745   0.01114  -1.02866
   D242       2.99162  -0.00001   0.00052  -0.00056  -0.00004   2.99159
   D243      -1.21862  -0.00001   0.00083  -0.00057   0.00026  -1.21836
   D244       0.91152  -0.00001   0.00076  -0.00039   0.00037   0.91189
   D245      -1.10400  -0.00001   0.00036  -0.00053  -0.00017  -1.10417
   D246       0.96894  -0.00001   0.00067  -0.00054   0.00012   0.96906
   D247       3.09908   0.00000   0.00060  -0.00037   0.00023   3.09931
   D248       0.96621  -0.00001   0.00053  -0.00045   0.00008   0.96629
   D249       3.03914  -0.00001   0.00084  -0.00046   0.00038   3.03952
   D250      -1.11390   0.00000   0.00077  -0.00029   0.00048  -1.11341
   D251       0.00171  -0.00001  -0.00025  -0.00032  -0.00057   0.00114
   D252       3.13486   0.00000  -0.00034  -0.00027  -0.00062   3.13424
         Item               Value     Threshold  Converged?
 Maximum Force            0.000337     0.000450     YES
 RMS     Force            0.000046     0.000300     YES
 Maximum Displacement     0.108831     0.001800     NO 
 RMS     Displacement     0.016103     0.001200     NO 
 Predicted change in Energy=-5.365478D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.824179   -1.955638    0.957346
      2          6           0       -9.345287   -0.960377   -0.103895
      3          6           0      -10.109234    0.365029   -0.027303
      4          6           0       -7.874167   -0.722135    0.031389
      5          7           0       -6.953887   -0.983669   -0.865134
      6          6           0       -5.650720   -0.639681   -0.418302
      7          6           0       -4.503961   -0.905075   -1.352894
      8          7           0       -3.888096    0.331699   -1.898388
      9          6           0       -4.750614    1.052075   -2.876118
     10          6           0       -3.074568    1.165761   -1.086501
     11          8           0       -2.875899    2.344318   -1.360040
     12          7           0       -2.442967    0.568781    0.045100
     13          6           0       -1.309089    1.320370    0.629563
     14          6           0       -0.019640    1.056108   -0.177329
     15          8           0        0.227538   -0.022131   -0.712213
     16          7           0        0.870472    2.116273   -0.254866
     17          6           0        2.167717    1.998877   -0.976727
     18          6           0        2.480130    3.325977   -1.703589
     19          6           0        2.591122    4.520079   -0.796461
     20          6           0        1.472299    5.338808   -0.574138
     21          6           0        1.571339    6.448506    0.269115
     22          6           0        2.784707    6.751781    0.894510
     23          6           0        3.903008    5.943258    0.667828
     24          6           0        3.810081    4.832453   -0.174949
     25          6           0        3.291869    1.586528   -0.003037
     26          6           0        3.098572    0.153245    0.502519
     27          8           0        2.598428    0.218434    1.856036
     28          6           0        4.412014   -0.668538    0.663278
     29          6           0        5.173109   -0.790488   -0.667315
     30          6           0        6.547533   -1.366852   -0.468468
     31          6           0        6.761563   -2.743636   -0.636171
     32          6           0        8.039341   -3.279003   -0.458273
     33          6           0        9.109565   -2.447151   -0.112114
     34          6           0        8.897117   -1.075731    0.058407
     35          6           0        7.620848   -0.533808   -0.117885
     36          7           0        4.061838   -2.012843    1.222382
     37          6           0        3.226514   -2.844414    0.472661
     38          8           0        3.145889   -2.956719   -0.740326
     39          8           0        2.472303   -3.630860    1.333676
     40          6           0        1.498075   -4.519992    0.697987
     41          6           0        0.442391   -3.731352    0.033319
     42          6           0       -0.904108   -3.675209    0.274271
     43          7           0       -1.628318   -2.795923   -0.556236
     44          6           0       -0.838617   -2.188261   -1.423890
     45         16           0        0.855097   -2.634456   -1.263572
     46          6           0       -1.137303    0.908671    2.121203
     47          6           0       -0.671790   -0.538831    2.281943
     48          6           0       -0.177886    1.868994    2.828606
     49          6           0       -5.587843   -0.104514    0.836496
     50         16           0       -7.182506   -0.011782    1.516454
     51          1           0      -10.878747   -2.213203    0.803234
     52          1           0       -9.249688   -2.889895    0.918635
     53          1           0       -9.734412   -1.556391    1.974499
     54          1           0       -9.526437   -1.414351   -1.120331
     55          1           0      -10.025420    0.838385    0.958188
     56          1           0       -9.740452    1.084126   -0.769545
     57          1           0      -11.177274    0.211788   -0.222207
     58          1           0       -3.726703   -1.528220   -0.840526
     59          1           0       -4.849222   -1.524333   -2.220658
     60          1           0       -4.852791    0.430330   -3.780474
     61          1           0       -4.281000    2.011766   -3.165139
     62          1           0       -5.756135    1.266974   -2.478673
     63          1           0       -2.313004   -0.453650    0.049519
     64          1           0       -1.571729    2.418529    0.580143
     65          1           0        0.695650    2.995281    0.229044
     66          1           0        2.050121    1.192076   -1.758337
     67          1           0        1.693084    3.504557   -2.470552
     68          1           0        3.415591    3.201626   -2.288486
     69          1           0        0.526498    5.120243   -1.069783
     70          1           0        0.700123    7.081282    0.435426
     71          1           0        2.859903    7.616348    1.550819
     72          1           0        4.851443    6.180935    1.147952
     73          1           0        4.687923    4.214818   -0.351237
     74          1           0        3.326187    2.273449    0.870150
     75          1           0        4.272914    1.699760   -0.504869
     76          1           0        2.362501   -0.401700   -0.134612
     77          1           0        1.604862    0.145502    1.858288
     78          1           0        5.064472   -0.175579    1.434957
     79          1           0        4.589695   -1.419199   -1.384261
     80          1           0        5.239519    0.207670   -1.149389
     81          1           0        5.925232   -3.392687   -0.898413
     82          1           0        8.201543   -4.347672   -0.588820
     83          1           0       10.103661   -2.866334    0.024695
     84          1           0        9.728001   -0.427018    0.329493
     85          1           0        7.464014    0.532995    0.017842
     86          1           0        3.882956   -1.994998    2.236745
     87          1           0        1.138615   -5.091902    1.577068
     88          1           0        2.041352   -5.185827   -0.003069
     89          1           0       -1.459685   -4.235516    1.018187
     90          1           0       -1.163593   -1.451568   -2.152986
     91          1           0       -2.150359    1.007318    2.595442
     92          1           0       -1.348736   -1.248740    1.787414
     93          1           0        0.327386   -0.711603    1.846599
     94          1           0       -0.621502   -0.825535    3.339041
     95          1           0       -0.167815    1.681660    3.910566
     96          1           0        0.862371    1.755951    2.486957
     97          1           0       -0.464332    2.917291    2.693681
     98          1           0       -4.716882    0.235478    1.374102
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0824544      0.0286762      0.0232175
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3658.2565311731 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258350940062     A.U. after   16 cycles
             Convg  =    0.9047D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000005359    0.000004115   -0.000000513
      2        6          -0.000012341    0.000002106   -0.000027714
      3        6           0.000008742   -0.000006529    0.000002973
      4        6           0.000022199   -0.000042501    0.000036590
      5        7          -0.000106649   -0.000038160    0.000011997
      6        6           0.000024444    0.000093666   -0.000025092
      7        6          -0.000031234   -0.000052516   -0.000010491
      8        7           0.000072557    0.000014235    0.000044043
      9        6           0.000022510   -0.000002040   -0.000012162
     10        6          -0.000079297    0.000081692    0.000002226
     11        8           0.000027122   -0.000051425   -0.000049985
     12        7           0.000038262    0.000109415    0.000090036
     13        6           0.000006211   -0.000065018    0.000030573
     14        6          -0.000014117    0.000236405   -0.000020473
     15        8           0.000000860   -0.000024528   -0.000020128
     16        7          -0.000049996   -0.000154671    0.000142000
     17        6           0.000060124    0.000020732   -0.000115014
     18        6          -0.000030858    0.000050816   -0.000050171
     19        6          -0.000027080   -0.000011567    0.000002349
     20        6           0.000013067   -0.000011356   -0.000020051
     21        6           0.000003288    0.000003425    0.000000532
     22        6          -0.000007199   -0.000002554    0.000005722
     23        6           0.000004573   -0.000005399    0.000001000
     24        6           0.000006717   -0.000002007    0.000021712
     25        6          -0.000008672    0.000004227    0.000051891
     26        6           0.000022595   -0.000074037   -0.000032128
     27        8           0.000182572    0.000235437    0.000046526
     28        6          -0.000137730    0.000062350   -0.000064827
     29        6           0.000132174   -0.000040263   -0.000011574
     30        6          -0.000042318    0.000035463    0.000012296
     31        6           0.000008021   -0.000037046   -0.000014046
     32        6          -0.000000880    0.000000403    0.000002063
     33        6          -0.000001125   -0.000003333   -0.000003713
     34        6          -0.000005381    0.000001273    0.000005922
     35        6           0.000018786   -0.000004753   -0.000001589
     36        7          -0.000065361    0.000008931    0.000117953
     37        6           0.000056653   -0.000039204   -0.000263045
     38        8           0.000063552   -0.000002354    0.000042814
     39        8           0.000072321    0.000246622    0.000233800
     40        6          -0.000255245   -0.000176566   -0.000253151
     41        6           0.000313386   -0.000073519    0.000492209
     42        6          -0.000325496    0.000046178   -0.000051452
     43        7           0.000065030    0.000130175   -0.000193614
     44        6           0.000067390   -0.000089701    0.000146609
     45       16          -0.000182356   -0.000035225   -0.000284221
     46        6          -0.000006829   -0.000059567   -0.000026677
     47        6          -0.000241230   -0.000173312   -0.000033643
     48        6          -0.000006219    0.000015807    0.000008183
     49        6           0.000100041   -0.000029859    0.000058046
     50       16          -0.000050796    0.000031535   -0.000053902
     51        1          -0.000011351   -0.000000280    0.000000567
     52        1           0.000004441   -0.000001642    0.000008141
     53        1          -0.000002564   -0.000003139    0.000009900
     54        1           0.000006895   -0.000012167   -0.000004825
     55        1           0.000010440    0.000002396    0.000001598
     56        1           0.000002902    0.000002765    0.000005162
     57        1          -0.000001441    0.000000919   -0.000003736
     58        1          -0.000026155    0.000014356    0.000007992
     59        1           0.000041394    0.000031028   -0.000002618
     60        1          -0.000019624   -0.000006151   -0.000014731
     61        1           0.000010341    0.000000015   -0.000017844
     62        1          -0.000015710    0.000004670    0.000004637
     63        1           0.000043117   -0.000056530   -0.000070952
     64        1          -0.000040393   -0.000005769   -0.000042612
     65        1           0.000010370   -0.000026151   -0.000014099
     66        1          -0.000029950    0.000031315    0.000046154
     67        1           0.000009103    0.000014233    0.000010166
     68        1           0.000006278   -0.000010371   -0.000013884
     69        1           0.000005662    0.000007848    0.000005200
     70        1           0.000001541   -0.000001590   -0.000004151
     71        1          -0.000000618    0.000001843   -0.000001817
     72        1          -0.000000121    0.000001649    0.000000916
     73        1          -0.000003003   -0.000000825   -0.000006038
     74        1          -0.000005147   -0.000015627   -0.000006035
     75        1           0.000017301   -0.000072704    0.000004164
     76        1          -0.000043179    0.000026439    0.000055536
     77        1          -0.000036419   -0.000163105   -0.000083487
     78        1          -0.000009051   -0.000011204    0.000031344
     79        1          -0.000020805    0.000028889   -0.000016095
     80        1          -0.000011427    0.000004182   -0.000024374
     81        1           0.000021959    0.000020508   -0.000008525
     82        1          -0.000004609    0.000000590    0.000002740
     83        1           0.000004627    0.000006458    0.000003983
     84        1           0.000004227   -0.000000576   -0.000004172
     85        1          -0.000007784   -0.000001572   -0.000004144
     86        1           0.000088897   -0.000023986   -0.000012266
     87        1           0.000082643    0.000072095    0.000154994
     88        1          -0.000023207    0.000019750   -0.000035363
     89        1           0.000065259   -0.000076511    0.000041646
     90        1           0.000016034   -0.000030112   -0.000043873
     91        1          -0.000019556   -0.000010226    0.000044503
     92        1           0.000031539    0.000058031    0.000053219
     93        1           0.000068643   -0.000048622   -0.000006188
     94        1           0.000051053    0.000060900   -0.000006473
     95        1           0.000014926    0.000006701    0.000010522
     96        1          -0.000003222    0.000023133    0.000026887
     97        1          -0.000002196   -0.000001539   -0.000038844
     98        1          -0.000012202    0.000013683   -0.000013512
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000492209 RMS     0.000075835

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000646303 RMS     0.000074884
 Search for a local minimum.
 Step number  65 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   56   57   58   59   60
                                                     61   62   63   64   65
 DE= -9.27D-06 DEPred=-5.37D-06 R= 1.73D+00
 SS=  1.41D+00  RLast= 9.40D-02 DXNew= 1.2520D+00 2.8199D-01
 Trust test= 1.73D+00 RLast= 9.40D-02 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00026   0.00167   0.00195   0.00245   0.00268
     Eigenvalues ---    0.00340   0.00399   0.00452   0.00556   0.00652
     Eigenvalues ---    0.00663   0.00738   0.00810   0.00894   0.00963
     Eigenvalues ---    0.00986   0.01049   0.01110   0.01181   0.01293
     Eigenvalues ---    0.01315   0.01399   0.01438   0.01455   0.01481
     Eigenvalues ---    0.01623   0.01638   0.01700   0.01732   0.01756
     Eigenvalues ---    0.01926   0.01985   0.02092   0.02106   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02244   0.02258   0.02268
     Eigenvalues ---    0.02290   0.02329   0.02373   0.02404   0.02409
     Eigenvalues ---    0.02414   0.02447   0.02482   0.02485   0.02522
     Eigenvalues ---    0.02527   0.02528   0.02665   0.02693   0.02768
     Eigenvalues ---    0.02859   0.02989   0.03356   0.03751   0.03954
     Eigenvalues ---    0.04015   0.04107   0.04170   0.04303   0.04374
     Eigenvalues ---    0.04591   0.04701   0.04929   0.04963   0.05084
     Eigenvalues ---    0.05136   0.05214   0.05239   0.05354   0.05408
     Eigenvalues ---    0.05450   0.05483   0.05534   0.05588   0.05622
     Eigenvalues ---    0.05667   0.05722   0.05795   0.05861   0.05871
     Eigenvalues ---    0.05915   0.05985   0.06095   0.06173   0.06290
     Eigenvalues ---    0.06501   0.06731   0.06879   0.07080   0.07112
     Eigenvalues ---    0.07524   0.07969   0.08376   0.08601   0.08800
     Eigenvalues ---    0.09418   0.09876   0.09935   0.10334   0.11359
     Eigenvalues ---    0.12162   0.12896   0.13122   0.13273   0.13485
     Eigenvalues ---    0.13818   0.13954   0.14523   0.15501   0.15691
     Eigenvalues ---    0.15757   0.15817   0.15963   0.15979   0.15982
     Eigenvalues ---    0.15991   0.15996   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16007   0.16011   0.16019
     Eigenvalues ---    0.16042   0.16065   0.16084   0.16102   0.16136
     Eigenvalues ---    0.16249   0.16336   0.16581   0.16889   0.17235
     Eigenvalues ---    0.17380   0.17964   0.18122   0.18594   0.19009
     Eigenvalues ---    0.19573   0.19900   0.20718   0.20920   0.21748
     Eigenvalues ---    0.21846   0.21970   0.22000   0.22001   0.22011
     Eigenvalues ---    0.22034   0.22364   0.22555   0.23214   0.23324
     Eigenvalues ---    0.23410   0.23503   0.23662   0.23829   0.24217
     Eigenvalues ---    0.24441   0.24765   0.24808   0.24999   0.25042
     Eigenvalues ---    0.25133   0.25220   0.25583   0.26142   0.26873
     Eigenvalues ---    0.28277   0.29304   0.29596   0.29754   0.29850
     Eigenvalues ---    0.29951   0.30116   0.30286   0.30461   0.30649
     Eigenvalues ---    0.30721   0.30868   0.31304   0.31405   0.31428
     Eigenvalues ---    0.31499   0.31530   0.31607   0.31670   0.31862
     Eigenvalues ---    0.32002   0.32093   0.32302   0.32373   0.32538
     Eigenvalues ---    0.32601   0.32675   0.32789   0.32814   0.32860
     Eigenvalues ---    0.32934   0.32987   0.33047   0.33063   0.33140
     Eigenvalues ---    0.33198   0.33239   0.33403   0.33560   0.33673
     Eigenvalues ---    0.33727   0.33762   0.33879   0.33955   0.33976
     Eigenvalues ---    0.34058   0.34194   0.34244   0.34262   0.34428
     Eigenvalues ---    0.34502   0.34521   0.34659   0.34717   0.35015
     Eigenvalues ---    0.35384   0.36244   0.36311   0.36377   0.36464
     Eigenvalues ---    0.36631   0.36837   0.36945   0.37151   0.37322
     Eigenvalues ---    0.38474   0.38880   0.39532   0.40161   0.40859
     Eigenvalues ---    0.41391   0.41720   0.42516   0.42746   0.42921
     Eigenvalues ---    0.43315   0.43608   0.43978   0.44812   0.45249
     Eigenvalues ---    0.45829   0.47046   0.47576   0.48367   0.48556
     Eigenvalues ---    0.48593   0.48865   0.49055   0.49820   0.50063
     Eigenvalues ---    0.50322   0.50958   0.51262   0.51387   0.52573
     Eigenvalues ---    0.56434   0.58750   0.59305   0.61284   0.63205
     Eigenvalues ---    0.64995   0.68189   0.76908   0.79063   0.84877
     Eigenvalues ---    1.46505   1.98057   4.748221000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    65   64   63   62   61
 RFO step:  Lambda=-2.94822598D-06.
 DIIS coeffs:      2.02410     -0.12369     -0.47389     -0.42153     -0.00500
 Iteration  1 RMS(Cart)=  0.03793070 RMS(Int)=  0.00050644
 Iteration  2 RMS(Cart)=  0.00099630 RMS(Int)=  0.00000518
 Iteration  3 RMS(Cart)=  0.00000057 RMS(Int)=  0.00000518
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89450   0.00002  -0.00007  -0.00002  -0.00009   2.89441
    R2        2.07199  -0.00001   0.00004   0.00001   0.00005   2.07204
    R3        2.07386   0.00000   0.00001  -0.00001  -0.00001   2.07385
    R4        2.07186   0.00001  -0.00003   0.00002  -0.00001   2.07185
    R5        2.89454   0.00001   0.00006   0.00000   0.00006   2.89460
    R6        2.82781   0.00000   0.00004  -0.00007  -0.00003   2.82779
    R7        2.13133  -0.00001  -0.00001   0.00000  -0.00001   2.13132
    R8        2.07206   0.00000   0.00001   0.00001   0.00002   2.07208
    R9        2.07356  -0.00001   0.00002  -0.00002   0.00000   2.07356
   R10        2.07197   0.00000  -0.00006  -0.00001  -0.00007   2.07190
   R11        2.47768   0.00004  -0.00020  -0.00010  -0.00030   2.47738
   R12        3.37432  -0.00004   0.00061   0.00021   0.00082   3.37514
   R13        2.68330  -0.00009   0.00015   0.00004   0.00019   2.68349
   R14        2.84022  -0.00001   0.00012  -0.00009   0.00004   2.84026
   R15        2.58062   0.00003  -0.00008  -0.00004  -0.00012   2.58049
   R16        2.80703   0.00000   0.00040   0.00014   0.00055   2.80758
   R17        2.11697   0.00002  -0.00015  -0.00005  -0.00019   2.11677
   R18        2.11759   0.00003  -0.00040  -0.00010  -0.00050   2.11709
   R19        2.81489   0.00003   0.00006  -0.00001   0.00005   2.81494
   R20        2.68358   0.00003  -0.00003  -0.00009  -0.00012   2.68345
   R21        2.08287   0.00000   0.00003   0.00000   0.00003   2.08290
   R22        2.09161   0.00001  -0.00014  -0.00006  -0.00020   2.09141
   R23        2.08318  -0.00001   0.00016   0.00005   0.00021   2.08339
   R24        2.31697   0.00007   0.00000   0.00007   0.00007   2.31704
   R25        2.69631   0.00005   0.00053   0.00039   0.00093   2.69723
   R26        2.79792   0.00013   0.00011   0.00025   0.00036   2.79828
   R27        1.94768  -0.00010  -0.00003  -0.00003  -0.00005   1.94763
   R28        2.91752  -0.00006  -0.00003  -0.00005  -0.00008   2.91745
   R29        2.94215   0.00008  -0.00015   0.00004  -0.00011   2.94205
   R30        2.13579   0.00001   0.00032   0.00016   0.00048   2.13627
   R31        2.32198  -0.00002  -0.00055  -0.00034  -0.00089   2.32109
   R32        2.62002   0.00004   0.00044   0.00042   0.00086   2.62088
   R33        2.81417  -0.00008  -0.00013   0.00004  -0.00009   2.81409
   R34        1.92473   0.00003  -0.00005   0.00002  -0.00003   1.92470
   R35        2.91969   0.00003   0.00022   0.00012   0.00034   2.92003
   R36        2.91644  -0.00005  -0.00067  -0.00019  -0.00086   2.91559
   R37        2.13436   0.00003  -0.00022   0.00002  -0.00021   2.13416
   R38        2.84156   0.00002  -0.00020  -0.00004  -0.00024   2.84132
   R39        2.10394   0.00001   0.00000   0.00002   0.00002   2.10396
   R40        2.09807   0.00000   0.00004   0.00001   0.00004   2.09811
   R41        2.65337   0.00002  -0.00010  -0.00003  -0.00013   2.65325
   R42        2.65217   0.00000   0.00008   0.00004   0.00012   2.65229
   R43        2.64042   0.00000   0.00006   0.00004   0.00010   2.64052
   R44        2.05969   0.00001  -0.00001   0.00000  -0.00001   2.05969
   R45        2.64248   0.00001  -0.00007  -0.00004  -0.00011   2.64237
   R46        2.05892   0.00000   0.00001   0.00001   0.00002   2.05894
   R47        2.64271   0.00000   0.00006   0.00003   0.00009   2.64279
   R48        2.05613   0.00000   0.00000   0.00000   0.00000   2.05613
   R49        2.64075   0.00000  -0.00007  -0.00005  -0.00012   2.64063
   R50        2.05845   0.00000   0.00002   0.00001   0.00003   2.05847
   R51        2.05551   0.00000   0.00004   0.00002   0.00005   2.05557
   R52        2.89520   0.00001  -0.00015   0.00002  -0.00013   2.89507
   R53        2.10048   0.00001   0.00004  -0.00006  -0.00002   2.10046
   R54        2.09334  -0.00001   0.00052   0.00031   0.00083   2.09417
   R55        2.72959   0.00001   0.00014  -0.00001   0.00013   2.72973
   R56        2.94355   0.00001   0.00028  -0.00014   0.00014   2.94369
   R57        2.11759   0.00000  -0.00026  -0.00013  -0.00038   2.11721
   R58        1.88262  -0.00011  -0.00038  -0.00025  -0.00064   1.88199
   R59        2.90589  -0.00001  -0.00024  -0.00013  -0.00037   2.90552
   R60        2.82978   0.00006  -0.00022   0.00006  -0.00016   2.82962
   R61        2.12474   0.00002   0.00026   0.00015   0.00041   2.12515
   R62        2.84137   0.00000  -0.00013  -0.00003  -0.00016   2.84121
   R63        2.11249   0.00003  -0.00008   0.00003  -0.00005   2.11244
   R64        2.09847   0.00002   0.00017   0.00018   0.00035   2.09882
   R65        2.65200  -0.00004   0.00001  -0.00001  -0.00001   2.65199
   R66        2.65160   0.00000   0.00000  -0.00003  -0.00003   2.65157
   R67        2.63952   0.00000  -0.00006  -0.00003  -0.00009   2.63943
   R68        2.06100   0.00003   0.00003   0.00006   0.00009   2.06109
   R69        2.64372   0.00000   0.00004   0.00002   0.00006   2.64377
   R70        2.05747   0.00000   0.00001   0.00001   0.00002   2.05749
   R71        2.64224   0.00001  -0.00005  -0.00002  -0.00007   2.64217
   R72        2.05508   0.00000   0.00000  -0.00001  -0.00001   2.05507
   R73        2.64131   0.00000   0.00004   0.00003   0.00007   2.64138
   R74        2.05684   0.00000   0.00000   0.00000   0.00000   2.05684
   R75        2.05371   0.00000   0.00003   0.00000   0.00003   2.05374
   R76        2.63978   0.00000   0.00001   0.00015   0.00016   2.63994
   R77        1.94674   0.00003   0.00020   0.00030   0.00050   1.94724
   R78        2.30705  -0.00004   0.00021   0.00000   0.00021   2.30727
   R79        2.62439   0.00015  -0.00068   0.00003  -0.00065   2.62374
   R80        2.76687  -0.00026   0.00036   0.00000   0.00036   2.76723
   R81        2.78900  -0.00006  -0.00030  -0.00002  -0.00033   2.78867
   R82        2.09502   0.00018   0.00029   0.00027   0.00056   2.09558
   R83        2.09578   0.00004  -0.00029   0.00001  -0.00029   2.09549
   R84        2.58711  -0.00017   0.00037   0.00002   0.00039   2.58750
   R85        3.30320   0.00027  -0.00041   0.00015  -0.00027   3.30293
   R86        2.66402   0.00016  -0.00043  -0.00002  -0.00045   2.66357
   R87        2.04930   0.00005  -0.00013   0.00004  -0.00008   2.04922
   R88        2.49680  -0.00006   0.00032   0.00005   0.00037   2.49717
   R89        3.32369   0.00003  -0.00040   0.00003  -0.00037   3.32333
   R90        2.05269   0.00005  -0.00024   0.00000  -0.00024   2.05245
   R91        2.88937   0.00000  -0.00017  -0.00013  -0.00030   2.88907
   R92        2.89265  -0.00004   0.00020   0.00007   0.00027   2.89292
   R93        2.12198   0.00000  -0.00018  -0.00003  -0.00020   2.12178
   R94        2.07594   0.00007  -0.00048   0.00005  -0.00043   2.07551
   R95        2.08533  -0.00006   0.00016  -0.00028  -0.00012   2.08521
   R96        2.07197  -0.00003   0.00020  -0.00006   0.00014   2.07211
   R97        2.07512   0.00001  -0.00001   0.00008   0.00008   2.07519
   R98        2.08010  -0.00001  -0.00016   0.00004  -0.00012   2.07998
   R99        2.06939   0.00002   0.00009   0.00010   0.00019   2.06957
   R100       3.28067  -0.00006   0.00044   0.00010   0.00054   3.28121
   R101       2.03809  -0.00001  -0.00014  -0.00008  -0.00022   2.03787
    A1        1.93474   0.00000   0.00002   0.00000   0.00001   1.93475
    A2        1.94448   0.00001  -0.00010   0.00002  -0.00007   1.94441
    A3        1.96121   0.00001   0.00013   0.00010   0.00023   1.96144
    A4        1.87397  -0.00001   0.00004   0.00000   0.00005   1.87402
    A5        1.86992   0.00000  -0.00017  -0.00011  -0.00028   1.86964
    A6        1.87535  -0.00001   0.00007  -0.00002   0.00005   1.87540
    A7        1.95160  -0.00001   0.00013   0.00000   0.00013   1.95173
    A8        1.92643  -0.00001   0.00032   0.00018   0.00050   1.92693
    A9        1.88878   0.00001  -0.00016  -0.00003  -0.00019   1.88859
   A10        1.92627   0.00003  -0.00040  -0.00016  -0.00056   1.92571
   A11        1.88941  -0.00001   0.00008   0.00002   0.00010   1.88951
   A12        1.87912  -0.00001   0.00003  -0.00002   0.00002   1.87913
   A13        1.96099   0.00001  -0.00013  -0.00005  -0.00018   1.96081
   A14        1.94510   0.00000   0.00004   0.00000   0.00004   1.94514
   A15        1.93479   0.00000   0.00006   0.00002   0.00008   1.93487
   A16        1.87482   0.00000  -0.00009  -0.00002  -0.00011   1.87471
   A17        1.86979   0.00000   0.00014   0.00003   0.00017   1.86996
   A18        1.87416   0.00000  -0.00003   0.00003   0.00000   1.87416
   A19        2.20988   0.00000   0.00030   0.00017   0.00047   2.21035
   A20        2.11686   0.00001  -0.00037  -0.00020  -0.00058   2.11629
   A21        1.95644   0.00000   0.00007   0.00003   0.00010   1.95655
   A22        1.96133   0.00000  -0.00005  -0.00001  -0.00006   1.96127
   A23        2.05081  -0.00001   0.00104   0.00040   0.00144   2.05224
   A24        2.01124  -0.00001   0.00019   0.00004   0.00022   2.01147
   A25        2.22111   0.00002  -0.00122  -0.00043  -0.00166   2.21946
   A26        1.97978   0.00001  -0.00059  -0.00038  -0.00098   1.97880
   A27        1.92112   0.00001   0.00061   0.00043   0.00103   1.92215
   A28        1.92200  -0.00004   0.00014  -0.00013   0.00001   1.92201
   A29        1.92137  -0.00001  -0.00050  -0.00025  -0.00075   1.92063
   A30        1.87914   0.00002  -0.00009   0.00004  -0.00006   1.87909
   A31        1.83439   0.00001   0.00051   0.00034   0.00085   1.83524
   A32        1.98628   0.00002   0.00002   0.00005   0.00006   1.98634
   A33        2.11365   0.00000  -0.00077  -0.00032  -0.00109   2.11256
   A34        2.00748  -0.00001   0.00006  -0.00002   0.00004   2.00752
   A35        1.89593  -0.00001  -0.00023  -0.00016  -0.00039   1.89554
   A36        1.92308   0.00003   0.00021   0.00012   0.00034   1.92341
   A37        1.96686  -0.00001   0.00012   0.00000   0.00013   1.96699
   A38        1.89039  -0.00002   0.00024   0.00007   0.00030   1.89069
   A39        1.89782   0.00001  -0.00052  -0.00015  -0.00067   1.89715
   A40        1.88823   0.00000   0.00017   0.00012   0.00029   1.88852
   A41        2.12921  -0.00001   0.00043   0.00008   0.00051   2.12972
   A42        2.05023   0.00002  -0.00039   0.00001  -0.00038   2.04985
   A43        2.10295   0.00000  -0.00006  -0.00009  -0.00014   2.10281
   A44        2.02604   0.00004  -0.00061  -0.00022  -0.00083   2.02521
   A45        2.06493  -0.00003  -0.00020  -0.00034  -0.00054   2.06440
   A46        1.98811  -0.00001  -0.00011  -0.00019  -0.00030   1.98781
   A47        1.92454  -0.00001  -0.00019   0.00001  -0.00018   1.92437
   A48        1.90547   0.00016  -0.00034  -0.00002  -0.00036   1.90511
   A49        1.87340  -0.00002  -0.00008   0.00014   0.00007   1.87347
   A50        1.94261  -0.00015   0.00038   0.00006   0.00044   1.94305
   A51        1.91510   0.00005   0.00010  -0.00017  -0.00007   1.91503
   A52        1.90124  -0.00003   0.00011  -0.00002   0.00009   1.90134
   A53        2.14805   0.00007   0.00085   0.00055   0.00141   2.14946
   A54        2.02033  -0.00009  -0.00059  -0.00029  -0.00088   2.01945
   A55        2.11473   0.00002  -0.00029  -0.00028  -0.00057   2.11416
   A56        2.12478  -0.00017   0.00024  -0.00025  -0.00007   2.12471
   A57        2.12134   0.00009   0.00037   0.00049   0.00078   2.12213
   A58        2.03516   0.00007   0.00010   0.00016   0.00020   2.03535
   A59        1.91396   0.00016   0.00021   0.00039   0.00060   1.91456
   A60        1.92811  -0.00038  -0.00009  -0.00041  -0.00050   1.92760
   A61        1.87660   0.00008   0.00028   0.00011   0.00040   1.87700
   A62        1.95954   0.00026  -0.00039   0.00003  -0.00035   1.95918
   A63        1.88500  -0.00008  -0.00040  -0.00004  -0.00044   1.88456
   A64        1.89820  -0.00003   0.00042  -0.00008   0.00033   1.89853
   A65        1.99678  -0.00001   0.00037   0.00007   0.00044   1.99723
   A66        1.89538  -0.00001  -0.00012  -0.00005  -0.00016   1.89522
   A67        1.89865   0.00002  -0.00024  -0.00003  -0.00026   1.89839
   A68        1.91812   0.00001  -0.00007  -0.00001  -0.00008   1.91804
   A69        1.92257   0.00000   0.00008   0.00002   0.00011   1.92268
   A70        1.82418   0.00000  -0.00008  -0.00002  -0.00010   1.82408
   A71        2.09411  -0.00001   0.00012   0.00004   0.00016   2.09426
   A72        2.10367   0.00001  -0.00014  -0.00005  -0.00019   2.10348
   A73        2.08537   0.00000   0.00002   0.00001   0.00003   2.08540
   A74        2.09691   0.00000  -0.00002  -0.00002  -0.00004   2.09687
   A75        2.09730   0.00000   0.00008   0.00005   0.00013   2.09743
   A76        2.08887   0.00000  -0.00007  -0.00003  -0.00010   2.08878
   A77        2.09863   0.00000   0.00001   0.00001   0.00002   2.09865
   A78        2.09058   0.00000  -0.00006  -0.00003  -0.00008   2.09050
   A79        2.09396   0.00000   0.00004   0.00002   0.00006   2.09402
   A80        2.08978   0.00000   0.00000   0.00001   0.00001   2.08979
   A81        2.09679   0.00000   0.00006   0.00003   0.00009   2.09688
   A82        2.09660   0.00000  -0.00006  -0.00004  -0.00010   2.09650
   A83        2.09919   0.00000  -0.00001   0.00000  -0.00001   2.09919
   A84        2.09286   0.00000  -0.00003  -0.00001  -0.00004   2.09282
   A85        2.09113   0.00000   0.00004   0.00001   0.00005   2.09118
   A86        2.09642   0.00000  -0.00001  -0.00001  -0.00001   2.09641
   A87        2.09762   0.00000  -0.00007  -0.00004  -0.00011   2.09751
   A88        2.08913   0.00000   0.00007   0.00004   0.00012   2.08925
   A89        1.94577  -0.00059   0.00133   0.00023   0.00155   1.94732
   A90        1.93157   0.00016   0.00026   0.00033   0.00059   1.93216
   A91        1.90918   0.00020  -0.00082  -0.00037  -0.00118   1.90800
   A92        1.89950   0.00018   0.00029   0.00017   0.00045   1.89995
   A93        1.93569   0.00020  -0.00092  -0.00008  -0.00100   1.93469
   A94        1.83938  -0.00012  -0.00023  -0.00030  -0.00053   1.83885
   A95        1.88670  -0.00006   0.00248   0.00127   0.00376   1.89046
   A96        2.00559   0.00009   0.00020   0.00056   0.00076   2.00636
   A97        1.93751  -0.00003   0.00016   0.00022   0.00038   1.93789
   A98        1.79166   0.00012  -0.00354  -0.00190  -0.00544   1.78622
   A99        1.90465  -0.00003  -0.00031  -0.00014  -0.00045   1.90420
   A100       1.92974  -0.00009   0.00078  -0.00015   0.00063   1.93037
   A101       1.92212   0.00005   0.00108   0.00085   0.00193   1.92405
   A102       1.94968  -0.00013   0.00117   0.00022   0.00139   1.95107
   A103       1.89122   0.00002  -0.00115  -0.00014  -0.00129   1.88993
   A104       1.90587   0.00006  -0.00062  -0.00035  -0.00097   1.90489
   A105       1.94725   0.00003   0.00130   0.00054   0.00184   1.94908
   A106       1.91924   0.00003  -0.00091   0.00004  -0.00087   1.91837
   A107       1.84735  -0.00001   0.00012  -0.00036  -0.00024   1.84711
   A108       1.94808   0.00000  -0.00036  -0.00015  -0.00051   1.94757
   A109       1.91904   0.00002   0.00035   0.00029   0.00063   1.91967
   A110       1.91130   0.00001  -0.00020   0.00000  -0.00020   1.91110
   A111       1.92441  -0.00003   0.00027  -0.00013   0.00013   1.92454
   A112       1.92549   0.00000   0.00027   0.00015   0.00041   1.92591
   A113       1.83208  -0.00001  -0.00032  -0.00014  -0.00046   1.83162
   A114       2.09401  -0.00004   0.00013  -0.00012   0.00001   2.09402
   A115       2.09981   0.00002  -0.00010   0.00006  -0.00003   2.09978
   A116       2.08936   0.00002  -0.00003   0.00006   0.00002   2.08939
   A117       2.09477   0.00000  -0.00001  -0.00002  -0.00004   2.09473
   A118       2.08934  -0.00002  -0.00003  -0.00007  -0.00010   2.08924
   A119       2.09905   0.00001   0.00004   0.00010   0.00014   2.09919
   A120       2.09836  -0.00001   0.00005   0.00000   0.00005   2.09841
   A121       2.09120   0.00001  -0.00002   0.00001  -0.00001   2.09119
   A122       2.09363   0.00000  -0.00003  -0.00001  -0.00003   2.09359
   A123       2.09111   0.00000  -0.00002   0.00001  -0.00001   2.09111
   A124       2.09581  -0.00001   0.00002  -0.00004  -0.00002   2.09579
   A125       2.09627   0.00001   0.00000   0.00002   0.00002   2.09629
   A126       2.09861   0.00000  -0.00003   0.00000  -0.00004   2.09858
   A127       2.09321   0.00001   0.00003   0.00003   0.00006   2.09327
   A128       2.09137   0.00000   0.00000  -0.00003  -0.00003   2.09134
   A129       2.09415  -0.00001   0.00005  -0.00004   0.00001   2.09416
   A130       2.09855   0.00001   0.00004   0.00008   0.00012   2.09867
   A131       2.09049   0.00000  -0.00009  -0.00004  -0.00013   2.09036
   A132       2.06446  -0.00028   0.00099   0.00041   0.00140   2.06587
   A133       1.97436   0.00013  -0.00119  -0.00042  -0.00161   1.97275
   A134       2.02077   0.00009  -0.00076  -0.00049  -0.00125   2.01952
   A135       2.24913  -0.00008   0.00058   0.00001   0.00059   2.24973
   A136       1.90616   0.00027  -0.00050   0.00001  -0.00050   1.90567
   A137       2.12708  -0.00020  -0.00010  -0.00004  -0.00014   2.12694
   A138       2.02202  -0.00065   0.00152  -0.00003   0.00149   2.02351
   A139       1.92514  -0.00040   0.00073  -0.00018   0.00055   1.92569
   A140       1.75660   0.00022  -0.00114   0.00025  -0.00089   1.75572
   A141       1.88924   0.00010  -0.00058  -0.00004  -0.00062   1.88862
   A142       1.98323   0.00006  -0.00002  -0.00006  -0.00008   1.98314
   A143       1.96766   0.00005   0.00047  -0.00001   0.00046   1.96811
   A144       1.92875  -0.00001   0.00034   0.00007   0.00041   1.92916
   A145       2.27335   0.00028  -0.00099  -0.00026  -0.00125   2.27209
   A146       2.09505  -0.00028   0.00106   0.00026   0.00132   2.09638
   A147       1.91459   0.00001  -0.00009   0.00000  -0.00009   1.91450
   A148       2.01214   0.00001   0.00005   0.00006   0.00011   2.01225
   A149       2.21859   0.00003  -0.00035   0.00001  -0.00034   2.21824
   A150       2.05241  -0.00003   0.00027  -0.00007   0.00020   2.05260
   A151       1.94624   0.00000  -0.00011  -0.00009  -0.00020   1.94604
   A152       1.98126   0.00004   0.00000   0.00012   0.00011   1.98137
   A153       2.18203  -0.00001  -0.00025  -0.00013  -0.00038   2.18165
   A154       2.11921  -0.00003   0.00022   0.00000   0.00022   2.11944
   A155       1.57026  -0.00005   0.00013  -0.00008   0.00004   1.57030
   A156       1.96563   0.00008  -0.00027   0.00022  -0.00005   1.96557
   A157       1.92412  -0.00001   0.00029   0.00008   0.00037   1.92449
   A158       1.85652  -0.00001  -0.00001   0.00004   0.00002   1.85654
   A159       1.93320  -0.00010  -0.00038  -0.00060  -0.00098   1.93222
   A160       1.88961   0.00003   0.00083   0.00037   0.00120   1.89081
   A161       1.89143   0.00002  -0.00044  -0.00008  -0.00052   1.89091
   A162       1.95719   0.00004   0.00001   0.00035   0.00036   1.95755
   A163       1.96321  -0.00007   0.00038   0.00013   0.00051   1.96372
   A164       1.94214   0.00001   0.00066   0.00008   0.00074   1.94288
   A165       1.85375   0.00003   0.00026   0.00013   0.00039   1.85414
   A166       1.86847  -0.00005   0.00021  -0.00005   0.00017   1.86864
   A167       1.87327   0.00004  -0.00162  -0.00069  -0.00231   1.87096
   A168       1.93271  -0.00001  -0.00016  -0.00016  -0.00032   1.93239
   A169       1.96542  -0.00003  -0.00018  -0.00034  -0.00052   1.96491
   A170       1.96024   0.00000  -0.00003   0.00009   0.00006   1.96031
   A171       1.85420   0.00001   0.00065   0.00031   0.00095   1.85516
   A172       1.86200   0.00002  -0.00043  -0.00003  -0.00046   1.86154
   A173       1.88312   0.00001   0.00017   0.00017   0.00034   1.88346
   A174       1.91615   0.00001  -0.00005   0.00001  -0.00004   1.91611
   A175       2.23794  -0.00003   0.00004   0.00000   0.00004   2.23798
   A176       2.12906   0.00002   0.00001  -0.00002  -0.00001   2.12904
   A177       1.57961   0.00000  -0.00016  -0.00007  -0.00023   1.57937
    D1        1.08939  -0.00001  -0.00381  -0.00123  -0.00504   1.08435
    D2       -3.04230   0.00001  -0.00400  -0.00131  -0.00530  -3.04760
    D3       -0.99007   0.00000  -0.00387  -0.00124  -0.00511  -0.99518
    D4       -3.10802  -0.00001  -0.00381  -0.00121  -0.00502  -3.11305
    D5       -0.95652   0.00001  -0.00400  -0.00129  -0.00529  -0.96181
    D6        1.09571   0.00000  -0.00387  -0.00122  -0.00509   1.09061
    D7       -1.00243  -0.00001  -0.00369  -0.00116  -0.00485  -1.00727
    D8        1.14907   0.00001  -0.00388  -0.00123  -0.00511   1.14396
    D9       -3.08188   0.00000  -0.00376  -0.00116  -0.00492  -3.08680
   D10        1.00582  -0.00001  -0.00012  -0.00005  -0.00017   1.00565
   D11        3.11103   0.00000  -0.00029  -0.00012  -0.00041   3.11062
   D12       -1.08571  -0.00001  -0.00026  -0.00007  -0.00033  -1.08603
   D13       -1.14576   0.00000  -0.00034  -0.00017  -0.00051  -1.14627
   D14        0.95944   0.00000  -0.00051  -0.00023  -0.00074   0.95869
   D15        3.04589   0.00000  -0.00048  -0.00019  -0.00066   3.04523
   D16        3.08490  -0.00001  -0.00020  -0.00007  -0.00027   3.08463
   D17       -1.09308   0.00000  -0.00037  -0.00014  -0.00051  -1.09359
   D18        0.99337   0.00000  -0.00034  -0.00009  -0.00043   0.99295
   D19        2.06353  -0.00001   0.00378   0.00315   0.00694   2.07046
   D20       -1.08018   0.00000   0.00396   0.00254   0.00650  -1.07368
   D21       -2.05350  -0.00001   0.00389   0.00316   0.00706  -2.04644
   D22        1.08597  -0.00001   0.00407   0.00255   0.00662   1.09260
   D23        0.00535  -0.00001   0.00378   0.00309   0.00687   0.01223
   D24       -3.13836  -0.00001   0.00396   0.00248   0.00644  -3.13192
   D25       -3.13888   0.00000  -0.00033  -0.00048  -0.00081  -3.13969
   D26        0.00466   0.00000  -0.00050   0.00009  -0.00041   0.00425
   D27        3.13999   0.00000   0.00056   0.00042   0.00098   3.14097
   D28       -0.00343   0.00000   0.00071  -0.00011   0.00060  -0.00283
   D29        3.13094   0.00001   0.00065   0.00038   0.00103   3.13197
   D30       -0.00394   0.00001  -0.00006  -0.00001  -0.00007  -0.00401
   D31        1.92597   0.00000  -0.03162  -0.01437  -0.04599   1.87998
   D32       -2.19579   0.00001  -0.03224  -0.01465  -0.04689  -2.24268
   D33       -0.18126   0.00000  -0.03120  -0.01406  -0.04526  -0.22652
   D34       -1.22326   0.00001  -0.03081  -0.01392  -0.04473  -1.26799
   D35        0.93817   0.00001  -0.03143  -0.01420  -0.04563   0.89254
   D36        2.95270   0.00000  -0.03038  -0.01362  -0.04400   2.90871
   D37        0.00122  -0.00001   0.00060  -0.00007   0.00052   0.00174
   D38       -3.13121   0.00000   0.00096   0.00067   0.00163  -3.12958
   D39       -3.13289  -0.00001  -0.00021  -0.00051  -0.00071  -3.13361
   D40        0.01787   0.00000   0.00016   0.00023   0.00039   0.01826
   D41       -1.23130   0.00000  -0.00271  -0.00139  -0.00410  -1.23539
   D42        1.27694   0.00001  -0.00377  -0.00185  -0.00562   1.27131
   D43        2.89060  -0.00002  -0.00269  -0.00147  -0.00416   2.88644
   D44       -0.88435  -0.00001  -0.00375  -0.00194  -0.00569  -0.89004
   D45        0.89994  -0.00003  -0.00299  -0.00177  -0.00475   0.89519
   D46       -2.87501  -0.00002  -0.00405  -0.00223  -0.00628  -2.88129
   D47       -1.17317  -0.00001  -0.00438  -0.00285  -0.00722  -1.18039
   D48        3.04179   0.00000  -0.00465  -0.00290  -0.00755   3.03423
   D49        0.93094   0.00000  -0.00511  -0.00314  -0.00825   0.92269
   D50        2.56190  -0.00002  -0.00308  -0.00229  -0.00537   2.55654
   D51        0.49368  -0.00001  -0.00335  -0.00235  -0.00570   0.48798
   D52       -1.61717  -0.00002  -0.00381  -0.00259  -0.00640  -1.62357
   D53       -2.76670  -0.00002   0.00254   0.00010   0.00264  -2.76406
   D54        0.41777  -0.00004   0.00289   0.00004   0.00294   0.42071
   D55       -0.26559   0.00000   0.00146  -0.00036   0.00110  -0.26449
   D56        2.91888  -0.00002   0.00181  -0.00041   0.00140   2.92028
   D57        2.83501   0.00000   0.00152   0.00064   0.00216   2.83717
   D58        0.37542   0.00000   0.00290   0.00179   0.00469   0.38012
   D59       -0.26438  -0.00003   0.00185   0.00058   0.00243  -0.26195
   D60       -2.72397  -0.00002   0.00323   0.00174   0.00497  -2.71900
   D61       -1.42130  -0.00004  -0.00376  -0.00282  -0.00658  -1.42789
   D62        2.72248   0.00004  -0.00389  -0.00289  -0.00678   2.71570
   D63        0.66415   0.00000  -0.00380  -0.00293  -0.00673   0.65742
   D64        1.06796  -0.00005  -0.00511  -0.00398  -0.00909   1.05886
   D65       -1.07145   0.00003  -0.00524  -0.00405  -0.00929  -1.08073
   D66       -3.12978  -0.00001  -0.00514  -0.00410  -0.00924  -3.13902
   D67       -0.59207  -0.00001   0.00540   0.00295   0.00835  -0.58372
   D68        2.56268   0.00013   0.00715   0.00432   0.01147   2.57414
   D69        1.52538   0.00009   0.00510   0.00296   0.00806   1.53344
   D70       -1.60306   0.00023   0.00685   0.00433   0.01118  -1.59188
   D71       -2.65204  -0.00001   0.00555   0.00287   0.00842  -2.64363
   D72        0.50270   0.00013   0.00730   0.00424   0.01153   0.51423
   D73        1.17982   0.00007   0.01016   0.00603   0.01619   1.19601
   D74       -2.93451   0.00000   0.00968   0.00547   0.01515  -2.91936
   D75       -0.88746   0.00000   0.00930   0.00544   0.01474  -0.87272
   D76       -0.94873   0.00007   0.01038   0.00599   0.01637  -0.93235
   D77        1.22013  -0.00001   0.00990   0.00543   0.01533   1.23547
   D78       -3.01600   0.00000   0.00952   0.00540   0.01492  -3.00108
   D79       -3.06262   0.00012   0.00994   0.00618   0.01612  -3.04649
   D80       -0.89376   0.00004   0.00946   0.00562   0.01508  -0.87867
   D81        1.15329   0.00005   0.00908   0.00559   0.01467   1.16797
   D82        3.12018  -0.00016   0.00275   0.00140   0.00416   3.12434
   D83        0.04709  -0.00005  -0.00905  -0.00585  -0.01490   0.03219
   D84       -0.00853  -0.00003   0.00446   0.00273   0.00719  -0.00134
   D85       -3.08162   0.00008  -0.00734  -0.00452  -0.01187  -3.09349
   D86        2.48824   0.00007  -0.01139  -0.00779  -0.01918   2.46906
   D87       -1.62611   0.00025  -0.01181  -0.00776  -0.01956  -1.64568
   D88        0.44286   0.00004  -0.01119  -0.00802  -0.01921   0.42366
   D89       -0.71864  -0.00004  -0.00014  -0.00087  -0.00100  -0.71964
   D90        1.45019   0.00014  -0.00055  -0.00083  -0.00138   1.44881
   D91       -2.76401  -0.00007   0.00007  -0.00109  -0.00103  -2.76504
   D92        1.04586  -0.00011   0.00003  -0.00030  -0.00027   1.04558
   D93       -1.10379  -0.00011  -0.00005  -0.00030  -0.00035  -1.10415
   D94       -3.07937  -0.00011   0.00022  -0.00024  -0.00002  -3.07938
   D95       -1.10455   0.00009   0.00027  -0.00008   0.00018  -1.10437
   D96        3.02898   0.00009   0.00019  -0.00009   0.00010   3.02909
   D97        1.05341   0.00008   0.00046  -0.00002   0.00044   1.05385
   D98        3.08596   0.00002   0.00025   0.00002   0.00028   3.08624
   D99        0.93631   0.00002   0.00017   0.00002   0.00019   0.93651
   D100      -1.03926   0.00002   0.00044   0.00009   0.00053  -1.03873
   D101       1.18974  -0.00010  -0.01160  -0.00593  -0.01753   1.17221
   D102      -0.92707  -0.00004  -0.01304  -0.00653  -0.01957  -0.94664
   D103      -2.94618  -0.00010  -0.01244  -0.00613  -0.01857  -2.96476
   D104      -2.95099   0.00001  -0.01167  -0.00570  -0.01737  -2.96837
   D105       1.21538   0.00007  -0.01312  -0.00630  -0.01942   1.19596
   D106      -0.80373   0.00001  -0.01251  -0.00590  -0.01842  -0.82215
   D107      -0.86602   0.00005  -0.01214  -0.00578  -0.01792  -0.88394
   D108      -2.98283   0.00011  -0.01358  -0.00638  -0.01996  -3.00279
   D109       1.28124   0.00004  -0.01298  -0.00599  -0.01896   1.26228
   D110      -1.64532   0.00000   0.00231   0.00078   0.00309  -1.64224
   D111       1.50515   0.00000   0.00241   0.00078   0.00318   1.50833
   D112       0.49201  -0.00001   0.00237   0.00076   0.00313   0.49514
   D113      -2.64070  -0.00002   0.00246   0.00076   0.00323  -2.63747
   D114       2.49279  -0.00001   0.00229   0.00074   0.00303   2.49581
   D115      -0.63992  -0.00001   0.00238   0.00074   0.00312  -0.63680
   D116       3.14055   0.00000  -0.00006  -0.00004  -0.00010   3.14045
   D117      -0.01662   0.00000  -0.00035  -0.00014  -0.00049  -0.01711
   D118      -0.00983   0.00000  -0.00015  -0.00004  -0.00019  -0.01003
   D119       3.11618   0.00000  -0.00045  -0.00014  -0.00059   3.11559
   D120      -3.14013   0.00000  -0.00006   0.00003  -0.00003  -3.14016
   D121       0.00754   0.00000  -0.00005   0.00008   0.00003   0.00756
   D122       0.01030   0.00000   0.00003   0.00003   0.00006   0.01036
   D123      -3.12522   0.00000   0.00004   0.00008   0.00012  -3.12510
   D124       0.00194   0.00000   0.00016   0.00001   0.00017   0.00211
   D125       3.13884   0.00000   0.00017   0.00000   0.00017   3.13901
   D126      -3.12415   0.00000   0.00044   0.00011   0.00056  -3.12359
   D127       0.01275   0.00000   0.00046   0.00009   0.00056   0.01331
   D128       0.00553   0.00000  -0.00003   0.00002  -0.00001   0.00552
   D129       3.14158   0.00000  -0.00002  -0.00002  -0.00004   3.14154
   D130      -3.13136   0.00000  -0.00005   0.00004  -0.00001  -3.13137
   D131       0.00469   0.00000  -0.00004   0.00000  -0.00004   0.00465
   D132      -0.00506   0.00000  -0.00009  -0.00003  -0.00011  -0.00518
   D133       3.13404   0.00000  -0.00009  -0.00005  -0.00014   3.13389
   D134      -3.14111   0.00000  -0.00010   0.00001  -0.00009  -3.14120
   D135      -0.00201   0.00000  -0.00011  -0.00001  -0.00012  -0.00213
   D136      -0.00288   0.00000   0.00009   0.00000   0.00009  -0.00279
   D137       3.13266   0.00000   0.00008  -0.00004   0.00003   3.13270
   D138       3.14120   0.00000   0.00009   0.00003   0.00012   3.14132
   D139      -0.00644   0.00000   0.00008  -0.00002   0.00006  -0.00638
   D140      -1.81417   0.00010  -0.00436  -0.00362  -0.00798  -1.82215
   D141       2.48023  -0.00006  -0.00171  -0.00242  -0.00413   2.47610
   D142       0.27428   0.00002  -0.00308  -0.00286  -0.00594   0.26834
   D143       0.32120   0.00004  -0.00297  -0.00294  -0.00591   0.31528
   D144      -1.66758  -0.00012  -0.00032  -0.00174  -0.00206  -1.66964
   D145       2.40965  -0.00005  -0.00169  -0.00218  -0.00388   2.40578
   D146       2.33697   0.00012  -0.00359  -0.00325  -0.00684   2.33012
   D147       0.34818  -0.00004  -0.00094  -0.00205  -0.00299   0.34519
   D148      -1.85777   0.00003  -0.00232  -0.00249  -0.00480  -1.86257
   D149       1.66972  -0.00016  -0.04850  -0.03228  -0.08078   1.58894
   D150      -2.48692  -0.00003  -0.04896  -0.03204  -0.08101  -2.56793
   D151      -0.43932  -0.00008  -0.05000  -0.03323  -0.08323  -0.52254
   D152      -1.03582   0.00005   0.00808   0.00737   0.01545  -1.02037
   D153       3.09537   0.00008   0.00647   0.00664   0.01311   3.10849
   D154       1.09094   0.00005   0.00728   0.00732   0.01460   1.10554
   D155      -3.07938   0.00001   0.00724   0.00677   0.01401  -3.06538
   D156       1.05181   0.00004   0.00563   0.00604   0.01167   1.06348
   D157      -0.95263   0.00000   0.00644   0.00672   0.01316  -0.93947
   D158       1.17412   0.00001   0.00913   0.00800   0.01712   1.19124
   D159      -0.97788   0.00004   0.00752   0.00727   0.01479  -0.96309
   D160      -2.98231   0.00000   0.00833   0.00795   0.01628  -2.96604
   D161       2.96564   0.00004  -0.00576  -0.00188  -0.00764   2.95799
   D162      -1.17616   0.00001  -0.00542  -0.00195  -0.00738  -1.18354
   D163       0.82828   0.00002  -0.00573  -0.00196  -0.00769   0.82059
   D164      -1.19766   0.00000  -0.00550  -0.00152  -0.00702  -1.20468
   D165       0.94373  -0.00003  -0.00516  -0.00159  -0.00675   0.93698
   D166       2.94818  -0.00001  -0.00546  -0.00160  -0.00706   2.94111
   D167       0.84660   0.00003  -0.00513  -0.00161  -0.00674   0.83986
   D168       2.98799   0.00000  -0.00479  -0.00168  -0.00647   2.98152
   D169      -1.29075   0.00001  -0.00510  -0.00169  -0.00679  -1.29754
   D170       1.07881  -0.00008   0.00690   0.00446   0.01135   1.09016
   D171      -1.36587  -0.00005   0.00852   0.00534   0.01385  -1.35202
   D172      -1.07465   0.00005   0.00536   0.00392   0.00929  -1.06536
   D173       2.76386   0.00007   0.00699   0.00480   0.01179   2.77565
   D174       3.12124   0.00000   0.00568   0.00380   0.00947   3.13071
   D175       0.67656   0.00002   0.00730   0.00468   0.01197   0.68853
   D176       1.66109   0.00000   0.00077  -0.00011   0.00066   1.66175
   D177      -1.48271   0.00000   0.00075  -0.00006   0.00070  -1.48202
   D178      -0.47722  -0.00001   0.00038  -0.00027   0.00011  -0.47711
   D179       2.66216  -0.00001   0.00037  -0.00022   0.00014   2.66230
   D180      -2.49290   0.00002   0.00046  -0.00011   0.00035  -2.49255
   D181       0.64648   0.00002   0.00044  -0.00006   0.00039   0.64687
   D182       3.13596   0.00000  -0.00015   0.00010  -0.00005   3.13591
   D183      -0.01337   0.00001  -0.00005   0.00015   0.00010  -0.01326
   D184      -0.00343   0.00000  -0.00013   0.00005  -0.00009  -0.00352
   D185       3.13043   0.00000  -0.00003   0.00010   0.00007   3.13050
   D186      -3.13573   0.00000   0.00010  -0.00008   0.00002  -3.13571
   D187       0.00625   0.00000   0.00014  -0.00008   0.00006   0.00631
   D188       0.00366   0.00000   0.00009  -0.00003   0.00005   0.00371
   D189      -3.13755   0.00000   0.00012  -0.00003   0.00009  -3.13746
   D190       0.00057   0.00000   0.00007  -0.00003   0.00005   0.00061
   D191       3.14116   0.00000   0.00009  -0.00003   0.00007   3.14122
   D192      -3.13325   0.00000  -0.00003  -0.00008  -0.00011  -3.13336
   D193       0.00734   0.00000  -0.00001  -0.00008  -0.00009   0.00725
   D194       0.00208   0.00000   0.00003  -0.00001   0.00002   0.00211
   D195      -3.14037   0.00000   0.00006  -0.00001   0.00005  -3.14032
   D196      -3.13850   0.00000   0.00001   0.00000   0.00000  -3.13850
   D197       0.00222   0.00000   0.00004   0.00000   0.00003   0.00225
   D198      -0.00186   0.00000  -0.00007   0.00002  -0.00005  -0.00191
   D199       3.13965   0.00000  -0.00010   0.00002  -0.00008   3.13957
   D200       3.14060   0.00000  -0.00010   0.00002  -0.00008   3.14052
   D201      -0.00108   0.00000  -0.00013   0.00002  -0.00011  -0.00118
   D202      -0.00102   0.00000   0.00002   0.00000   0.00002  -0.00100
   D203       3.14020   0.00000  -0.00002  -0.00001  -0.00002   3.14017
   D204       3.14066   0.00000   0.00004   0.00000   0.00004   3.14070
   D205      -0.00131   0.00000   0.00001  -0.00001   0.00000  -0.00131
   D206       0.58855  -0.00007   0.00453   0.00054   0.00507   0.59362
   D207      -2.59619  -0.00009   0.00388   0.00001   0.00389  -2.59230
   D208       3.01524  -0.00009   0.00272  -0.00032   0.00241   3.01764
   D209      -0.16950  -0.00011   0.00207  -0.00085   0.00122  -0.16828
   D210       3.09567  -0.00007   0.00364   0.00178   0.00542   3.10109
   D211      -0.08547  -0.00008   0.00306   0.00130   0.00436  -0.08112
   D212      -1.15014   0.00008  -0.00152  -0.00022  -0.00175  -1.15189
   D213       3.03354   0.00007  -0.00120  -0.00021  -0.00141   3.03213
   D214       1.01011  -0.00005  -0.00085  -0.00039  -0.00124   1.00887
   D215      -2.04823  -0.00008  -0.00546  -0.00154  -0.00700  -2.05524
   D216       1.07012  -0.00007  -0.00669  -0.00157  -0.00826   1.06186
   D217      -0.09102  -0.00003  -0.00642  -0.00138  -0.00780  -0.09882
   D218       3.02734  -0.00003  -0.00765  -0.00141  -0.00906   3.01827
   D219       2.12080   0.00005  -0.00556  -0.00135  -0.00691   2.11389
   D220      -1.04403   0.00005  -0.00679  -0.00138  -0.00817  -1.05220
   D221       3.13484  -0.00001  -0.00176  -0.00006  -0.00182   3.13302
   D222      -0.01831   0.00004  -0.00516   0.00011  -0.00506  -0.02336
   D223       0.01462  -0.00001  -0.00064  -0.00004  -0.00068   0.01394
   D224      -3.13853   0.00004  -0.00404   0.00013  -0.00392   3.14074
   D225       3.14108   0.00003   0.00070   0.00015   0.00085  -3.14125
   D226      -0.01935   0.00004  -0.00032   0.00013  -0.00019  -0.01954
   D227       0.00107  -0.00004   0.00162  -0.00011   0.00151   0.00258
   D228      -3.13013  -0.00008   0.00468  -0.00026   0.00442  -3.12570
   D229      -0.01655   0.00007  -0.00183   0.00021  -0.00162  -0.01818
   D230      -3.11887   0.00002  -0.00066   0.00042  -0.00023  -3.11910
   D231       0.02112  -0.00006   0.00127  -0.00020   0.00108   0.02219
   D232       3.12502  -0.00002   0.00014  -0.00041  -0.00027   3.12475
   D233      -0.98408  -0.00003   0.01572   0.01277   0.02850  -0.95558
   D234       1.10409  -0.00001   0.01634   0.01328   0.02962   1.13371
   D235      -3.07644   0.00000   0.01499   0.01254   0.02753  -3.04891
   D236       3.13526  -0.00001   0.01583   0.01296   0.02879  -3.11913
   D237      -1.05976   0.00002   0.01645   0.01347   0.02992  -1.02985
   D238       1.04290   0.00003   0.01509   0.01273   0.02782   1.07072
   D239       1.06370   0.00002   0.01608   0.01318   0.02926   1.09296
   D240      -3.13133   0.00004   0.01670   0.01369   0.03039  -3.10094
   D241      -1.02866   0.00005   0.01534   0.01295   0.02829  -1.00037
   D242       2.99159  -0.00002   0.00126  -0.00158  -0.00032   2.99127
   D243      -1.21836  -0.00003   0.00185  -0.00152   0.00033  -1.21803
   D244       0.91189  -0.00003   0.00193  -0.00149   0.00044   0.91233
   D245      -1.10417   0.00001   0.00084  -0.00167  -0.00083  -1.10500
   D246       0.96906   0.00000   0.00144  -0.00162  -0.00018   0.96888
   D247       3.09931   0.00000   0.00152  -0.00158  -0.00007   3.09924
   D248       0.96629  -0.00001   0.00137  -0.00162  -0.00025   0.96603
   D249       3.03952  -0.00002   0.00196  -0.00157   0.00039   3.03992
   D250      -1.11341  -0.00002   0.00204  -0.00153   0.00051  -1.11291
   D251       0.00114   0.00000  -0.00071   0.00010  -0.00061   0.00053
   D252       3.13424   0.00000  -0.00105  -0.00059  -0.00164   3.13260
         Item               Value     Threshold  Converged?
 Maximum Force            0.000646     0.000450     NO 
 RMS     Force            0.000075     0.000300     YES
 Maximum Displacement     0.258329     0.001800     NO 
 RMS     Displacement     0.038110     0.001200     NO 
 Predicted change in Energy=-1.138888D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.855836   -1.915723    0.917322
      2          6           0       -9.347771   -0.896865   -0.107257
      3          6           0      -10.070946    0.447454    0.019619
      4          6           0       -7.870068   -0.707756    0.033623
      5          7           0       -6.959204   -0.956360   -0.875869
      6          6           0       -5.645959   -0.669131   -0.418259
      7          6           0       -4.507415   -0.924429   -1.365650
      8          7           0       -3.898761    0.319150   -1.904516
      9          6           0       -4.769225    1.044634   -2.871408
     10          6           0       -3.085219    1.149272   -1.088730
     11          8           0       -2.893767    2.331614   -1.351024
     12          7           0       -2.444131    0.543577    0.033485
     13          6           0       -1.312748    1.297225    0.620605
     14          6           0       -0.023544    1.043686   -0.190031
     15          8           0        0.225153   -0.026494   -0.739121
     16          7           0        0.867549    2.104737   -0.250425
     17          6           0        2.162667    1.999559   -0.977870
     18          6           0        2.461636    3.330304   -1.704104
     19          6           0        2.566471    4.524302   -0.796315
     20          6           0        1.441180    5.331728   -0.565871
     21          6           0        1.534742    6.441299    0.278260
     22          6           0        2.749022    6.755717    0.896209
     23          6           0        3.873792    5.958531    0.661249
     24          6           0        3.786349    4.847909   -0.182250
     25          6           0        3.293588    1.595684   -0.009199
     26          6           0        3.103030    0.169063    0.515667
     27          8           0        2.625223    0.246155    1.876684
     28          6           0        4.415702   -0.655356    0.669793
     29          6           0        5.172210   -0.778307   -0.663096
     30          6           0        6.549749   -1.347855   -0.466816
     31          6           0        6.769493   -2.724137   -0.631189
     32          6           0        8.050204   -3.253134   -0.455725
     33          6           0        9.117740   -2.415444   -0.115263
     34          6           0        8.899605   -1.044555    0.052018
     35          6           0        7.620308   -0.508945   -0.121910
     36          7           0        4.064017   -1.997891    1.231960
     37          6           0        3.233369   -2.834415    0.482394
     38          8           0        3.161239   -2.956577   -0.730289
     39          8           0        2.473381   -3.613914    1.344092
     40          6           0        1.507049   -4.513270    0.710297
     41          6           0        0.453213   -3.736213    0.029629
     42          6           0       -0.896291   -3.689827    0.256600
     43          7           0       -1.618818   -2.819402   -0.584238
     44          6           0       -0.825082   -2.209949   -1.447241
     45         16           0        0.870267   -2.641559   -1.267572
     46          6           0       -1.137195    0.877485    2.109504
     47          6           0       -0.643222   -0.561447    2.260439
     48          6           0       -0.198197    1.850287    2.827480
     49          6           0       -5.565567   -0.190578    0.858150
     50         16           0       -7.155924   -0.082615    1.546621
     51          1           0      -10.919158   -2.131462    0.759001
     52          1           0       -9.313429   -2.866569    0.839528
     53          1           0       -9.748807   -1.559540    1.948690
     54          1           0       -9.543440   -1.307393   -1.139349
     55          1           0       -9.972061    0.881078    1.021864
     56          1           0       -9.680722    1.182086   -0.695972
     57          1           0      -11.143221    0.334227   -0.179123
     58          1           0       -3.723828   -1.550481   -0.866869
     59          1           0       -4.859910   -1.535234   -2.236153
     60          1           0       -4.868097    0.433078   -3.783068
     61          1           0       -4.308514    2.011758   -3.149355
     62          1           0       -5.776052    1.245574   -2.469682
     63          1           0       -2.305363   -0.477635    0.024105
     64          1           0       -1.580616    2.394663    0.577924
     65          1           0        0.687555    2.980982    0.236558
     66          1           0        2.049061    1.193267   -1.760439
     67          1           0        1.670260    3.503367   -2.467883
     68          1           0        3.395775    3.213983   -2.292799
     69          1           0        0.494492    5.104878   -1.056062
     70          1           0        0.658377    7.065197    0.450992
     71          1           0        2.820029    7.620141    1.553171
     72          1           0        4.822940    6.205059    1.135497
     73          1           0        4.669025    4.239075   -0.365072
     74          1           0        3.338751    2.293390    0.854884
     75          1           0        4.270372    1.700072   -0.522102
     76          1           0        2.356229   -0.390955   -0.103942
     77          1           0        1.629458    0.251420    1.892479
     78          1           0        5.072168   -0.163114    1.438842
     79          1           0        4.589310   -1.411682   -1.376304
     80          1           0        5.232167    0.218772   -1.148660
     81          1           0        5.935223   -3.377646   -0.889089
     82          1           0        8.216882   -4.321435   -0.583733
     83          1           0       10.114142   -2.829744    0.019601
     84          1           0        9.728317   -0.391272    0.318740
     85          1           0        7.459149    0.557543    0.011318
     86          1           0        3.877928   -1.974486    2.245181
     87          1           0        1.143411   -5.076876    1.593385
     88          1           0        2.058541   -5.184161    0.020811
     89          1           0       -1.455114   -4.254061    0.995032
     90          1           0       -1.148643   -1.478964   -2.182499
     91          1           0       -2.153047    0.953558    2.581660
     92          1           0       -1.288111   -1.278161    1.734391
     93          1           0        0.372581   -0.704278    1.853828
     94          1           0       -0.616556   -0.865367    3.313655
     95          1           0       -0.188217    1.654526    3.907990
     96          1           0        0.844745    1.759552    2.487579
     97          1           0       -0.504345    2.894082    2.700341
     98          1           0       -4.684530    0.102223    1.406766
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0825198      0.0286884      0.0232408
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3658.2812168277 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258363511947     A.U. after   17 cycles
             Convg  =    0.9098D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009173    0.000007136    0.000002325
      2        6          -0.000022418    0.000015325   -0.000047515
      3        6           0.000004919   -0.000013485    0.000022174
      4        6           0.000087025   -0.000134220    0.000152887
      5        7          -0.000231622   -0.000055593    0.000009201
      6        6           0.000004676    0.000099020   -0.000044530
      7        6          -0.000068246   -0.000090604   -0.000076387
      8        7           0.000132169   -0.000009160    0.000119822
      9        6           0.000027064    0.000040646   -0.000007619
     10        6          -0.000135993    0.000030100    0.000163426
     11        8          -0.000006309   -0.000015901    0.000004134
     12        7          -0.000010070    0.000012235   -0.000103540
     13        6           0.000075353   -0.000018523   -0.000034196
     14        6           0.000023502    0.000394447    0.000091132
     15        8           0.000048400    0.000026584   -0.000011951
     16        7          -0.000071948   -0.000330041    0.000118946
     17        6           0.000191977   -0.000015026   -0.000272888
     18        6          -0.000068380    0.000167467   -0.000054675
     19        6          -0.000054368   -0.000042548    0.000026500
     20        6           0.000040580   -0.000040051   -0.000029347
     21        6           0.000019469    0.000028348   -0.000000081
     22        6          -0.000030847   -0.000015802    0.000016796
     23        6           0.000011968   -0.000029534    0.000001897
     24        6           0.000007782    0.000027141    0.000027466
     25        6          -0.000071149   -0.000140657    0.000069262
     26        6          -0.000036916   -0.000156565    0.000028032
     27        8           0.000363357    0.000339441    0.000059081
     28        6          -0.000021256    0.000156928   -0.000109535
     29        6           0.000197465    0.000018744    0.000020388
     30        6          -0.000089564    0.000025265   -0.000003640
     31        6           0.000039585   -0.000027165   -0.000025794
     32        6          -0.000038654    0.000002301    0.000015119
     33        6          -0.000000419    0.000018065    0.000002255
     34        6           0.000022748   -0.000004756   -0.000003934
     35        6          -0.000006441   -0.000023577   -0.000002275
     36        7          -0.000237899   -0.000041118    0.000186653
     37        6           0.000054666    0.000184189   -0.000636598
     38        8           0.000197138   -0.000149904    0.000167448
     39        8           0.000188410    0.000363799    0.000455282
     40        6          -0.000443289   -0.000393196   -0.000170871
     41        6           0.000509907   -0.000141996    0.000452012
     42        6          -0.000499745    0.000181014   -0.000024193
     43        7           0.000004178    0.000253123   -0.000453110
     44        6           0.000208134   -0.000297859    0.000307990
     45       16          -0.000311768   -0.000000384   -0.000211743
     46        6          -0.000098402    0.000014507   -0.000017917
     47        6          -0.000548738   -0.000351400   -0.000040910
     48        6           0.000085175   -0.000021152    0.000010759
     49        6           0.000222149   -0.000045992    0.000112600
     50       16          -0.000135583    0.000109073   -0.000157421
     51        1          -0.000021932    0.000009746   -0.000004765
     52        1           0.000003602   -0.000013286    0.000013795
     53        1           0.000003390   -0.000009592    0.000009265
     54        1           0.000015043   -0.000016694   -0.000020962
     55        1           0.000017437    0.000003299   -0.000000003
     56        1          -0.000001219    0.000003993   -0.000000439
     57        1           0.000010062    0.000004856   -0.000001175
     58        1          -0.000035633    0.000029895    0.000004724
     59        1           0.000054105    0.000101065   -0.000014907
     60        1          -0.000030302   -0.000012104   -0.000025144
     61        1           0.000012546   -0.000004666   -0.000041505
     62        1          -0.000026745   -0.000009749    0.000007228
     63        1           0.000058361   -0.000068726   -0.000065799
     64        1          -0.000074304    0.000071356   -0.000009769
     65        1          -0.000009289   -0.000017878   -0.000009986
     66        1          -0.000070123    0.000115050    0.000094106
     67        1           0.000007773    0.000011294    0.000008558
     68        1           0.000013042   -0.000022468   -0.000017296
     69        1           0.000006492    0.000015403    0.000010152
     70        1          -0.000000770   -0.000005376   -0.000010137
     71        1           0.000005470    0.000000669   -0.000004905
     72        1           0.000001547    0.000004220    0.000001303
     73        1           0.000000653   -0.000005773   -0.000009106
     74        1          -0.000011121    0.000027738   -0.000024863
     75        1           0.000059811   -0.000116582   -0.000000538
     76        1          -0.000012051    0.000054812    0.000074170
     77        1          -0.000038866   -0.000187062   -0.000143016
     78        1           0.000013123   -0.000038639    0.000083286
     79        1          -0.000010371    0.000071646   -0.000018157
     80        1          -0.000057546   -0.000014116   -0.000028607
     81        1           0.000028127    0.000024311   -0.000001983
     82        1          -0.000003700   -0.000002237    0.000002389
     83        1           0.000002354    0.000006186    0.000007373
     84        1           0.000003372    0.000001698   -0.000004489
     85        1          -0.000002942    0.000009813   -0.000002392
     86        1           0.000099526   -0.000070933    0.000022316
     87        1           0.000061018    0.000113006    0.000035684
     88        1          -0.000032631    0.000097961   -0.000059438
     89        1           0.000117125   -0.000200123    0.000077879
     90        1           0.000015690   -0.000043344   -0.000078573
     91        1           0.000020327    0.000037255    0.000085639
     92        1           0.000073753    0.000111195    0.000088687
     93        1           0.000267001   -0.000097979   -0.000041533
     94        1           0.000103995    0.000060647   -0.000086922
     95        1           0.000018987   -0.000012867    0.000058356
     96        1          -0.000160357    0.000067114    0.000037807
     97        1          -0.000016259   -0.000005452   -0.000077188
     98        1          -0.000014519    0.000012728   -0.000022035
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000636598 RMS     0.000129397

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001730967 RMS     0.000200016
 Search for a local minimum.
 Step number  66 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   58   59   60   61   62
                                                     63   64   65   66
 DE= -1.26D-05 DEPred=-1.14D-05 R= 1.10D+00
 SS=  1.41D+00  RLast= 2.30D-01 DXNew= 1.2520D+00 6.8987D-01
 Trust test= 1.10D+00 RLast= 2.30D-01 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00021   0.00165   0.00192   0.00239   0.00267
     Eigenvalues ---    0.00340   0.00394   0.00451   0.00556   0.00649
     Eigenvalues ---    0.00671   0.00737   0.00808   0.00895   0.00964
     Eigenvalues ---    0.00985   0.01036   0.01123   0.01181   0.01285
     Eigenvalues ---    0.01300   0.01382   0.01413   0.01448   0.01481
     Eigenvalues ---    0.01613   0.01637   0.01697   0.01734   0.01756
     Eigenvalues ---    0.01927   0.01992   0.02091   0.02107   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02251   0.02258   0.02268
     Eigenvalues ---    0.02290   0.02329   0.02372   0.02404   0.02409
     Eigenvalues ---    0.02414   0.02447   0.02482   0.02485   0.02520
     Eigenvalues ---    0.02527   0.02528   0.02659   0.02695   0.02776
     Eigenvalues ---    0.02863   0.02991   0.03346   0.03746   0.03959
     Eigenvalues ---    0.04014   0.04100   0.04170   0.04332   0.04384
     Eigenvalues ---    0.04590   0.04704   0.04932   0.04964   0.05081
     Eigenvalues ---    0.05124   0.05207   0.05238   0.05360   0.05405
     Eigenvalues ---    0.05450   0.05476   0.05534   0.05584   0.05624
     Eigenvalues ---    0.05672   0.05721   0.05788   0.05860   0.05866
     Eigenvalues ---    0.05924   0.05985   0.06092   0.06145   0.06296
     Eigenvalues ---    0.06507   0.06735   0.06880   0.07078   0.07122
     Eigenvalues ---    0.07526   0.07955   0.08344   0.08608   0.08797
     Eigenvalues ---    0.09405   0.09873   0.09881   0.10324   0.11367
     Eigenvalues ---    0.12159   0.12890   0.13121   0.13275   0.13475
     Eigenvalues ---    0.13803   0.13928   0.14486   0.15491   0.15671
     Eigenvalues ---    0.15756   0.15812   0.15964   0.15979   0.15982
     Eigenvalues ---    0.15992   0.15996   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16009   0.16012   0.16018
     Eigenvalues ---    0.16042   0.16067   0.16081   0.16099   0.16135
     Eigenvalues ---    0.16291   0.16339   0.16558   0.16893   0.17261
     Eigenvalues ---    0.17399   0.17965   0.18120   0.18548   0.18918
     Eigenvalues ---    0.19575   0.19956   0.20737   0.20998   0.21752
     Eigenvalues ---    0.21853   0.21976   0.22000   0.22001   0.22013
     Eigenvalues ---    0.22035   0.22368   0.22546   0.23194   0.23278
     Eigenvalues ---    0.23417   0.23503   0.23658   0.23825   0.24214
     Eigenvalues ---    0.24425   0.24771   0.24818   0.24998   0.25049
     Eigenvalues ---    0.25121   0.25209   0.25598   0.26128   0.26884
     Eigenvalues ---    0.28195   0.29302   0.29663   0.29765   0.29858
     Eigenvalues ---    0.29955   0.30119   0.30287   0.30467   0.30636
     Eigenvalues ---    0.30726   0.30888   0.31307   0.31400   0.31428
     Eigenvalues ---    0.31487   0.31506   0.31568   0.31669   0.31889
     Eigenvalues ---    0.32000   0.32025   0.32262   0.32335   0.32533
     Eigenvalues ---    0.32596   0.32673   0.32769   0.32814   0.32868
     Eigenvalues ---    0.32935   0.32995   0.33040   0.33065   0.33150
     Eigenvalues ---    0.33198   0.33232   0.33412   0.33559   0.33673
     Eigenvalues ---    0.33736   0.33785   0.33892   0.33963   0.33984
     Eigenvalues ---    0.34087   0.34185   0.34241   0.34250   0.34403
     Eigenvalues ---    0.34501   0.34527   0.34680   0.34722   0.34837
     Eigenvalues ---    0.35401   0.36244   0.36311   0.36376   0.36464
     Eigenvalues ---    0.36631   0.36837   0.36946   0.37163   0.37317
     Eigenvalues ---    0.38479   0.38914   0.39599   0.39944   0.40871
     Eigenvalues ---    0.41445   0.41767   0.42518   0.42766   0.43016
     Eigenvalues ---    0.43320   0.43589   0.43983   0.44817   0.45254
     Eigenvalues ---    0.45871   0.47036   0.47579   0.48367   0.48549
     Eigenvalues ---    0.48630   0.48848   0.49063   0.49879   0.49957
     Eigenvalues ---    0.50293   0.50974   0.51261   0.51381   0.52190
     Eigenvalues ---    0.56436   0.58773   0.59314   0.61694   0.63377
     Eigenvalues ---    0.64628   0.68615   0.76902   0.79165   0.84936
     Eigenvalues ---    1.53149   2.08214   5.370451000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    66   65   64   63   62
 RFO step:  Lambda=-1.18529750D-05.
 DIIS coeffs:      0.43319      1.79955     -0.58221     -0.37641     -0.27413
 Iteration  1 RMS(Cart)=  0.01752909 RMS(Int)=  0.00011880
 Iteration  2 RMS(Cart)=  0.00021552 RMS(Int)=  0.00000532
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00000532
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89441   0.00002  -0.00002  -0.00002  -0.00004   2.89437
    R2        2.07204  -0.00001   0.00000   0.00001   0.00001   2.07205
    R3        2.07385   0.00000   0.00001   0.00000   0.00001   2.07386
    R4        2.07185   0.00001  -0.00002   0.00001   0.00000   2.07185
    R5        2.89460   0.00002   0.00002   0.00001   0.00003   2.89463
    R6        2.82779   0.00001   0.00006  -0.00008  -0.00001   2.82777
    R7        2.13132   0.00000  -0.00001  -0.00001  -0.00002   2.13129
    R8        2.07208   0.00000   0.00000   0.00000   0.00000   2.07208
    R9        2.07356   0.00000   0.00001  -0.00002  -0.00001   2.07355
   R10        2.07190   0.00001  -0.00002  -0.00002  -0.00005   2.07185
   R11        2.47738   0.00010  -0.00002  -0.00013  -0.00015   2.47723
   R12        3.37514  -0.00014   0.00016   0.00028   0.00044   3.37557
   R13        2.68349  -0.00016   0.00004   0.00002   0.00007   2.68356
   R14        2.84026  -0.00003   0.00020  -0.00014   0.00006   2.84032
   R15        2.58049   0.00006   0.00002  -0.00007  -0.00004   2.58045
   R16        2.80758  -0.00006   0.00013   0.00012   0.00025   2.80783
   R17        2.11677   0.00003   0.00000  -0.00007  -0.00007   2.11670
   R18        2.11709   0.00010  -0.00011  -0.00012  -0.00023   2.11686
   R19        2.81494   0.00004   0.00000   0.00001   0.00001   2.81495
   R20        2.68345   0.00003   0.00003  -0.00013  -0.00010   2.68335
   R21        2.08290   0.00001   0.00000   0.00002   0.00002   2.08293
   R22        2.09141   0.00003  -0.00004  -0.00006  -0.00009   2.09131
   R23        2.08339  -0.00002   0.00003   0.00005   0.00008   2.08346
   R24        2.31704   0.00001  -0.00001   0.00011   0.00010   2.31714
   R25        2.69723  -0.00018   0.00006   0.00056   0.00062   2.69785
   R26        2.79828  -0.00006  -0.00004   0.00044   0.00040   2.79867
   R27        1.94763  -0.00011  -0.00004  -0.00011  -0.00015   1.94748
   R28        2.91745  -0.00030   0.00001   0.00002   0.00003   2.91748
   R29        2.94205   0.00010  -0.00008   0.00006  -0.00001   2.94203
   R30        2.13627  -0.00008   0.00008   0.00023   0.00031   2.13657
   R31        2.32109  -0.00001  -0.00006  -0.00040  -0.00046   2.32063
   R32        2.62088   0.00013  -0.00004   0.00051   0.00048   2.62136
   R33        2.81409  -0.00025  -0.00009   0.00010   0.00001   2.81410
   R34        1.92470   0.00001  -0.00001   0.00002   0.00001   1.92471
   R35        2.92003  -0.00002   0.00000   0.00013   0.00013   2.92016
   R36        2.91559  -0.00010  -0.00020  -0.00023  -0.00043   2.91515
   R37        2.13416   0.00011  -0.00012   0.00001  -0.00011   2.13404
   R38        2.84132   0.00006  -0.00008  -0.00007  -0.00015   2.84118
   R39        2.10396   0.00001  -0.00002   0.00003   0.00002   2.10398
   R40        2.09811  -0.00001   0.00003  -0.00001   0.00002   2.09813
   R41        2.65325   0.00005  -0.00003  -0.00004  -0.00007   2.65318
   R42        2.65229   0.00000   0.00002   0.00004   0.00006   2.65235
   R43        2.64052  -0.00001   0.00001   0.00004   0.00005   2.64058
   R44        2.05969   0.00001  -0.00001   0.00001   0.00000   2.05969
   R45        2.64237   0.00003  -0.00001  -0.00005  -0.00006   2.64231
   R46        2.05894   0.00000   0.00000   0.00001   0.00001   2.05895
   R47        2.64279  -0.00001   0.00002   0.00003   0.00005   2.64284
   R48        2.05613   0.00000   0.00000   0.00000   0.00000   2.05613
   R49        2.64063   0.00003  -0.00001  -0.00006  -0.00007   2.64056
   R50        2.05847   0.00000   0.00000   0.00001   0.00001   2.05849
   R51        2.05557   0.00000   0.00001   0.00002   0.00003   2.05560
   R52        2.89507   0.00005  -0.00011  -0.00003  -0.00014   2.89493
   R53        2.10046  -0.00004   0.00006   0.00001   0.00007   2.10054
   R54        2.09417  -0.00004   0.00006   0.00030   0.00036   2.09453
   R55        2.72973   0.00002   0.00004   0.00003   0.00007   2.72980
   R56        2.94369   0.00000   0.00023  -0.00010   0.00013   2.94381
   R57        2.11721   0.00004  -0.00005  -0.00014  -0.00019   2.11702
   R58        1.88199  -0.00011  -0.00005  -0.00034  -0.00039   1.88159
   R59        2.90552   0.00002  -0.00008  -0.00021  -0.00029   2.90523
   R60        2.82962  -0.00002  -0.00005   0.00004  -0.00001   2.82961
   R61        2.12515   0.00006   0.00002   0.00014   0.00017   2.12532
   R62        2.84121   0.00004  -0.00004  -0.00004  -0.00008   2.84113
   R63        2.11244   0.00007  -0.00005   0.00001  -0.00004   2.11240
   R64        2.09882   0.00002  -0.00001   0.00017   0.00016   2.09898
   R65        2.65199  -0.00003   0.00001  -0.00002  -0.00001   2.65198
   R66        2.65157   0.00000   0.00002  -0.00006  -0.00004   2.65153
   R67        2.63943   0.00003  -0.00001  -0.00007  -0.00008   2.63935
   R68        2.06109   0.00003   0.00000   0.00010   0.00010   2.06120
   R69        2.64377  -0.00001   0.00002   0.00004   0.00006   2.64383
   R70        2.05749   0.00000   0.00000   0.00001   0.00002   2.05751
   R71        2.64217   0.00003  -0.00001  -0.00005  -0.00006   2.64211
   R72        2.05507   0.00000   0.00000  -0.00001  -0.00001   2.05506
   R73        2.64138  -0.00001   0.00001   0.00006   0.00007   2.64145
   R74        2.05684   0.00000   0.00000  -0.00001   0.00000   2.05683
   R75        2.05374  -0.00001   0.00001   0.00000   0.00001   2.05376
   R76        2.63994   0.00000   0.00005   0.00003   0.00008   2.64002
   R77        1.94724   0.00008   0.00001   0.00034   0.00035   1.94759
   R78        2.30727  -0.00025   0.00009   0.00007   0.00015   2.30742
   R79        2.62374   0.00019  -0.00023   0.00003  -0.00021   2.62354
   R80        2.76723  -0.00054   0.00009  -0.00006   0.00003   2.76726
   R81        2.78867  -0.00004  -0.00011  -0.00013  -0.00024   2.78843
   R82        2.09558   0.00006   0.00012   0.00052   0.00064   2.09622
   R83        2.09549   0.00010  -0.00010  -0.00004  -0.00015   2.09535
   R84        2.58750  -0.00025   0.00010  -0.00015  -0.00005   2.58745
   R85        3.30293   0.00021  -0.00008   0.00068   0.00060   3.30354
   R86        2.66357   0.00031  -0.00015   0.00012  -0.00003   2.66354
   R87        2.04922   0.00007  -0.00005   0.00008   0.00003   2.04925
   R88        2.49717  -0.00018   0.00012  -0.00004   0.00008   2.49726
   R89        3.32333   0.00003  -0.00016   0.00009  -0.00007   3.32326
   R90        2.05245   0.00008  -0.00008   0.00000  -0.00008   2.05237
   R91        2.88907  -0.00014   0.00005  -0.00014  -0.00009   2.88898
   R92        2.89292  -0.00001   0.00007   0.00000   0.00007   2.89299
   R93        2.12178   0.00005  -0.00009  -0.00007  -0.00016   2.12162
   R94        2.07551   0.00013  -0.00016  -0.00002  -0.00018   2.07532
   R95        2.08521  -0.00024   0.00020  -0.00028  -0.00008   2.08512
   R96        2.07211  -0.00010   0.00010   0.00000   0.00010   2.07221
   R97        2.07519   0.00006  -0.00005   0.00005   0.00000   2.07519
   R98        2.07998   0.00014  -0.00012   0.00004  -0.00008   2.07990
   R99        2.06957   0.00004   0.00001   0.00009   0.00010   2.06967
   R100       3.28121  -0.00014   0.00014   0.00011   0.00024   3.28145
   R101       2.03787  -0.00001  -0.00003  -0.00008  -0.00011   2.03777
    A1        1.93475   0.00000   0.00000   0.00001   0.00001   1.93476
    A2        1.94441   0.00002  -0.00004   0.00004  -0.00001   1.94440
    A3        1.96144   0.00000   0.00002   0.00011   0.00013   1.96157
    A4        1.87402  -0.00001   0.00001  -0.00002  -0.00001   1.87400
    A5        1.86964   0.00001  -0.00001  -0.00011  -0.00012   1.86952
    A6        1.87540  -0.00001   0.00003  -0.00003  -0.00001   1.87539
    A7        1.95173  -0.00003   0.00005   0.00001   0.00006   1.95179
    A8        1.92693  -0.00002   0.00004   0.00019   0.00023   1.92716
    A9        1.88859   0.00002  -0.00005  -0.00004  -0.00009   1.88849
   A10        1.92571   0.00005  -0.00005  -0.00020  -0.00026   1.92546
   A11        1.88951  -0.00001   0.00000   0.00003   0.00003   1.88954
   A12        1.87913  -0.00001   0.00002   0.00001   0.00003   1.87916
   A13        1.96081   0.00002  -0.00001  -0.00007  -0.00008   1.96073
   A14        1.94514  -0.00001   0.00002   0.00000   0.00002   1.94516
   A15        1.93487   0.00000   0.00000   0.00002   0.00002   1.93489
   A16        1.87471   0.00000  -0.00002  -0.00002  -0.00003   1.87468
   A17        1.86996  -0.00001   0.00004   0.00005   0.00009   1.87005
   A18        1.87416   0.00000  -0.00003   0.00002  -0.00001   1.87415
   A19        2.21035  -0.00002   0.00006   0.00022   0.00028   2.21063
   A20        2.11629   0.00005  -0.00007  -0.00027  -0.00035   2.11594
   A21        1.95655  -0.00003   0.00002   0.00005   0.00006   1.95661
   A22        1.96127   0.00002   0.00000  -0.00004  -0.00004   1.96123
   A23        2.05224  -0.00006   0.00021   0.00040   0.00061   2.05285
   A24        2.01147  -0.00003   0.00004   0.00008   0.00012   2.01159
   A25        2.21946   0.00009  -0.00025  -0.00048  -0.00073   2.21873
   A26        1.97880   0.00001   0.00002  -0.00026  -0.00024   1.97856
   A27        1.92215   0.00001   0.00009   0.00036   0.00045   1.92260
   A28        1.92201  -0.00005   0.00004  -0.00021  -0.00016   1.92185
   A29        1.92063  -0.00003  -0.00007  -0.00024  -0.00031   1.92032
   A30        1.87909   0.00005  -0.00013  -0.00001  -0.00013   1.87895
   A31        1.83524   0.00000   0.00004   0.00039   0.00043   1.83567
   A32        1.98634   0.00006   0.00003   0.00004   0.00008   1.98642
   A33        2.11256  -0.00004  -0.00011  -0.00029  -0.00040   2.11217
   A34        2.00752   0.00001   0.00000  -0.00002  -0.00002   2.00749
   A35        1.89554  -0.00001  -0.00003  -0.00016  -0.00019   1.89535
   A36        1.92341   0.00004   0.00001   0.00014   0.00015   1.92357
   A37        1.96699  -0.00002   0.00004   0.00000   0.00004   1.96703
   A38        1.89069  -0.00003   0.00006   0.00002   0.00008   1.89078
   A39        1.89715   0.00003  -0.00011  -0.00014  -0.00026   1.89689
   A40        1.88852  -0.00001   0.00002   0.00015   0.00017   1.88869
   A41        2.12972   0.00003   0.00008   0.00007   0.00015   2.12987
   A42        2.04985  -0.00003  -0.00013   0.00004  -0.00009   2.04976
   A43        2.10281   0.00000   0.00006  -0.00011  -0.00005   2.10276
   A44        2.02521   0.00014  -0.00011  -0.00040  -0.00051   2.02470
   A45        2.06440  -0.00006   0.00010  -0.00043  -0.00033   2.06406
   A46        1.98781  -0.00008   0.00002  -0.00021  -0.00019   1.98762
   A47        1.92437  -0.00008  -0.00005   0.00020   0.00014   1.92451
   A48        1.90511   0.00034  -0.00014   0.00007  -0.00007   1.90504
   A49        1.87347  -0.00001  -0.00005   0.00007   0.00002   1.87349
   A50        1.94305  -0.00033   0.00006   0.00000   0.00006   1.94311
   A51        1.91503   0.00016   0.00008  -0.00029  -0.00021   1.91482
   A52        1.90134  -0.00006   0.00009  -0.00004   0.00005   1.90139
   A53        2.14946  -0.00004   0.00012   0.00070   0.00082   2.15027
   A54        2.01945  -0.00002  -0.00009  -0.00045  -0.00055   2.01890
   A55        2.11416   0.00005  -0.00003  -0.00027  -0.00029   2.11387
   A56        2.12471  -0.00055   0.00017  -0.00025  -0.00015   2.12456
   A57        2.12213   0.00029   0.00003   0.00047   0.00043   2.12256
   A58        2.03535   0.00025   0.00004   0.00014   0.00010   2.03546
   A59        1.91456   0.00044  -0.00011   0.00053   0.00042   1.91498
   A60        1.92760  -0.00099   0.00016  -0.00067  -0.00050   1.92710
   A61        1.87700   0.00016   0.00002   0.00012   0.00014   1.87713
   A62        1.95918   0.00066  -0.00015   0.00022   0.00007   1.95925
   A63        1.88456  -0.00019  -0.00013  -0.00014  -0.00027   1.88429
   A64        1.89853  -0.00009   0.00021  -0.00005   0.00016   1.89869
   A65        1.99723  -0.00007   0.00009   0.00010   0.00019   1.99742
   A66        1.89522   0.00001  -0.00007  -0.00014  -0.00021   1.89501
   A67        1.89839   0.00004  -0.00005   0.00001  -0.00003   1.89835
   A68        1.91804   0.00002  -0.00003   0.00003   0.00000   1.91804
   A69        1.92268   0.00000   0.00005   0.00001   0.00006   1.92273
   A70        1.82408  -0.00001   0.00000  -0.00003  -0.00003   1.82405
   A71        2.09426  -0.00001   0.00002   0.00001   0.00003   2.09429
   A72        2.10348   0.00002  -0.00002  -0.00002  -0.00004   2.10344
   A73        2.08540  -0.00001   0.00000   0.00001   0.00002   2.08542
   A74        2.09687   0.00000   0.00000  -0.00002  -0.00002   2.09685
   A75        2.09743  -0.00001   0.00001   0.00005   0.00007   2.09750
   A76        2.08878   0.00001  -0.00001  -0.00004  -0.00005   2.08873
   A77        2.09865   0.00000   0.00000   0.00000   0.00001   2.09866
   A78        2.09050   0.00000  -0.00001  -0.00004  -0.00005   2.09045
   A79        2.09402   0.00000   0.00001   0.00003   0.00004   2.09406
   A80        2.08979   0.00000   0.00000   0.00001   0.00001   2.08979
   A81        2.09688  -0.00001   0.00001   0.00004   0.00006   2.09694
   A82        2.09650   0.00001  -0.00001  -0.00005  -0.00006   2.09644
   A83        2.09919   0.00000   0.00000   0.00000   0.00000   2.09918
   A84        2.09282   0.00000  -0.00001  -0.00001  -0.00002   2.09280
   A85        2.09118   0.00000   0.00001   0.00001   0.00003   2.09120
   A86        2.09641   0.00000   0.00000   0.00000  -0.00001   2.09640
   A87        2.09751   0.00000  -0.00001  -0.00005  -0.00005   2.09746
   A88        2.08925  -0.00001   0.00001   0.00005   0.00006   2.08931
   A89        1.94732  -0.00173   0.00044   0.00004   0.00048   1.94780
   A90        1.93216   0.00049  -0.00005   0.00038   0.00033   1.93249
   A91        1.90800   0.00055  -0.00014  -0.00017  -0.00031   1.90768
   A92        1.89995   0.00049   0.00002   0.00017   0.00019   1.90014
   A93        1.93469   0.00062  -0.00028   0.00008  -0.00020   1.93449
   A94        1.83885  -0.00031   0.00000  -0.00054  -0.00054   1.83831
   A95        1.89046  -0.00018   0.00029   0.00149   0.00178   1.89223
   A96        2.00636   0.00054  -0.00015   0.00064   0.00049   2.00685
   A97        1.93789  -0.00022   0.00005   0.00027   0.00032   1.93821
   A98        1.78622   0.00017  -0.00051  -0.00198  -0.00248   1.78373
   A99        1.90420  -0.00002  -0.00007  -0.00030  -0.00038   1.90382
   A100       1.93037  -0.00028   0.00035  -0.00027   0.00008   1.93045
   A101       1.92405  -0.00002   0.00006   0.00098   0.00104   1.92509
   A102       1.95107  -0.00008   0.00027   0.00007   0.00034   1.95141
   A103       1.88993  -0.00013  -0.00037  -0.00053  -0.00090   1.88903
   A104       1.90489   0.00014  -0.00005  -0.00019  -0.00025   1.90464
   A105       1.94908  -0.00005   0.00034   0.00108   0.00142   1.95050
   A106       1.91837   0.00003  -0.00035  -0.00014  -0.00049   1.91788
   A107       1.84711   0.00009   0.00015  -0.00033  -0.00019   1.84692
   A108       1.94757   0.00003  -0.00010  -0.00018  -0.00028   1.94729
   A109       1.91967   0.00000   0.00000   0.00042   0.00043   1.92010
   A110       1.91110   0.00004  -0.00008  -0.00003  -0.00011   1.91099
   A111       1.92454  -0.00005   0.00014  -0.00021  -0.00008   1.92447
   A112       1.92591  -0.00002   0.00010   0.00021   0.00031   1.92621
   A113       1.83162   0.00001  -0.00006  -0.00020  -0.00027   1.83136
   A114       2.09402  -0.00009   0.00010  -0.00013  -0.00003   2.09399
   A115       2.09978   0.00006  -0.00006   0.00006   0.00000   2.09977
   A116       2.08939   0.00003  -0.00003   0.00006   0.00003   2.08942
   A117       2.09473   0.00000   0.00000  -0.00002  -0.00002   2.09471
   A118       2.08924  -0.00002   0.00001  -0.00012  -0.00011   2.08913
   A119       2.09919   0.00001  -0.00001   0.00014   0.00013   2.09932
   A120       2.09841  -0.00002   0.00002   0.00000   0.00002   2.09843
   A121       2.09119   0.00001  -0.00001   0.00003   0.00002   2.09120
   A122       2.09359   0.00000  -0.00001  -0.00003  -0.00004   2.09355
   A123       2.09111   0.00001  -0.00001   0.00001   0.00000   2.09111
   A124       2.09579  -0.00001   0.00001  -0.00005  -0.00004   2.09575
   A125       2.09629   0.00001   0.00000   0.00004   0.00004   2.09633
   A126       2.09858   0.00001  -0.00001  -0.00001  -0.00002   2.09855
   A127       2.09327   0.00000   0.00001   0.00006   0.00006   2.09333
   A128       2.09134  -0.00001   0.00001  -0.00005  -0.00004   2.09130
   A129       2.09416  -0.00002   0.00004  -0.00004  -0.00001   2.09415
   A130       2.09867   0.00001  -0.00001   0.00013   0.00012   2.09879
   A131       2.09036   0.00001  -0.00003  -0.00008  -0.00011   2.09025
   A132       2.06587  -0.00121   0.00023   0.00065   0.00088   2.06674
   A133       1.97275   0.00048  -0.00039  -0.00063  -0.00103   1.97172
   A134       2.01952   0.00044  -0.00017  -0.00059  -0.00076   2.01876
   A135       2.24973  -0.00025   0.00023   0.00015   0.00038   2.25010
   A136       1.90567   0.00069  -0.00018   0.00001  -0.00018   1.90549
   A137       2.12694  -0.00042  -0.00005  -0.00019  -0.00024   2.12670
   A138       2.02351  -0.00170   0.00061   0.00008   0.00068   2.02419
   A139       1.92569  -0.00115   0.00032  -0.00006   0.00027   1.92596
   A140       1.75572   0.00052  -0.00048   0.00009  -0.00039   1.75533
   A141       1.88862   0.00036  -0.00024  -0.00007  -0.00031   1.88831
   A142       1.98314   0.00025  -0.00003  -0.00015  -0.00018   1.98296
   A143       1.96811   0.00010   0.00022   0.00004   0.00027   1.96838
   A144       1.92916  -0.00006   0.00012   0.00015   0.00027   1.92944
   A145       2.27209   0.00061  -0.00021   0.00018  -0.00003   2.27206
   A146       2.09638  -0.00066   0.00028  -0.00007   0.00022   2.09659
   A147       1.91450   0.00005  -0.00008  -0.00010  -0.00018   1.91433
   A148       2.01225  -0.00006   0.00004   0.00018   0.00022   2.01247
   A149       2.21824   0.00007  -0.00013   0.00006  -0.00008   2.21816
   A150       2.05260  -0.00001   0.00008  -0.00023  -0.00016   2.05244
   A151       1.94604   0.00003  -0.00002  -0.00010  -0.00012   1.94592
   A152       1.98137   0.00003  -0.00003   0.00018   0.00016   1.98152
   A153       2.18165   0.00001  -0.00006  -0.00005  -0.00010   2.18155
   A154       2.11944  -0.00004   0.00007  -0.00013  -0.00007   2.11937
   A155       1.57030  -0.00005   0.00007  -0.00014  -0.00007   1.57023
   A156       1.96557   0.00019  -0.00023   0.00020  -0.00003   1.96554
   A157       1.92449  -0.00001   0.00011   0.00009   0.00020   1.92469
   A158       1.85654  -0.00004  -0.00004   0.00015   0.00011   1.85665
   A159       1.93222  -0.00026   0.00022  -0.00063  -0.00041   1.93181
   A160       1.89081   0.00006   0.00013   0.00045   0.00058   1.89140
   A161       1.89091   0.00008  -0.00020  -0.00024  -0.00044   1.89047
   A162       1.95755   0.00008  -0.00014   0.00031   0.00017   1.95773
   A163       1.96372  -0.00020   0.00015   0.00023   0.00039   1.96411
   A164       1.94288  -0.00005   0.00026   0.00024   0.00050   1.94338
   A165       1.85414   0.00010   0.00000   0.00026   0.00026   1.85440
   A166       1.86864  -0.00005   0.00004  -0.00030  -0.00026   1.86837
   A167       1.87096   0.00014  -0.00033  -0.00082  -0.00115   1.86981
   A168       1.93239   0.00000  -0.00003  -0.00022  -0.00025   1.93214
   A169       1.96491  -0.00011   0.00014  -0.00043  -0.00029   1.96461
   A170       1.96031   0.00003  -0.00003   0.00011   0.00008   1.96039
   A171       1.85516   0.00003   0.00010   0.00044   0.00054   1.85570
   A172       1.86154   0.00002  -0.00016  -0.00003  -0.00019   1.86136
   A173       1.88346   0.00005  -0.00003   0.00017   0.00014   1.88360
   A174       1.91611   0.00001  -0.00002   0.00001  -0.00001   1.91610
   A175       2.23798  -0.00003   0.00001  -0.00005  -0.00004   2.23794
   A176       2.12904   0.00002   0.00001   0.00004   0.00005   2.12909
   A177       1.57937   0.00003  -0.00003  -0.00010  -0.00013   1.57924
    D1        1.08435   0.00000  -0.00082  -0.00089  -0.00171   1.08264
    D2       -3.04760   0.00002  -0.00082  -0.00100  -0.00183  -3.04943
    D3       -0.99518   0.00001  -0.00081  -0.00091  -0.00172  -0.99690
    D4       -3.11305  -0.00001  -0.00083  -0.00089  -0.00172  -3.11476
    D5       -0.96181   0.00002  -0.00084  -0.00100  -0.00184  -0.96365
    D6        1.09061   0.00001  -0.00083  -0.00090  -0.00173   1.08888
    D7       -1.00727  -0.00001  -0.00081  -0.00083  -0.00164  -1.00891
    D8        1.14396   0.00002  -0.00082  -0.00094  -0.00176   1.14220
    D9       -3.08680   0.00001  -0.00081  -0.00084  -0.00165  -3.08845
   D10        1.00565  -0.00001  -0.00004  -0.00016  -0.00020   1.00546
   D11        3.11062   0.00000  -0.00005  -0.00022  -0.00028   3.11034
   D12       -1.08603  -0.00001  -0.00008  -0.00019  -0.00026  -1.08630
   D13       -1.14627   0.00000  -0.00008  -0.00027  -0.00035  -1.14662
   D14        0.95869   0.00001  -0.00010  -0.00034  -0.00043   0.95826
   D15        3.04523   0.00000  -0.00012  -0.00030  -0.00042   3.04481
   D16        3.08463  -0.00001  -0.00007  -0.00018  -0.00025   3.08438
   D17       -1.09359   0.00000  -0.00009  -0.00025  -0.00034  -1.09392
   D18        0.99295   0.00000  -0.00011  -0.00021  -0.00032   0.99262
   D19        2.07046   0.00000  -0.00016   0.00331   0.00315   2.07361
   D20       -1.07368   0.00000   0.00046   0.00252   0.00298  -1.07070
   D21       -2.04644  -0.00002  -0.00011   0.00332   0.00321  -2.04323
   D22        1.09260  -0.00002   0.00051   0.00253   0.00304   1.09564
   D23        0.01223  -0.00001  -0.00013   0.00324   0.00312   0.01534
   D24       -3.13192  -0.00001   0.00049   0.00246   0.00295  -3.12897
   D25       -3.13969   0.00000   0.00014  -0.00056  -0.00043  -3.14012
   D26        0.00425   0.00000  -0.00043   0.00016  -0.00027   0.00398
   D27        3.14097  -0.00001  -0.00001   0.00047   0.00046   3.14143
   D28       -0.00283  -0.00001   0.00053  -0.00021   0.00032  -0.00252
   D29        3.13197   0.00001   0.00013   0.00043   0.00056   3.13253
   D30       -0.00401   0.00001   0.00007  -0.00001   0.00006  -0.00395
   D31        1.87998   0.00004  -0.00592  -0.01453  -0.02045   1.85953
   D32       -2.24268   0.00003  -0.00592  -0.01476  -0.02068  -2.26336
   D33       -0.22652   0.00001  -0.00580  -0.01420  -0.01999  -0.24651
   D34       -1.26799   0.00004  -0.00585  -0.01403  -0.01987  -1.28786
   D35        0.89254   0.00003  -0.00585  -0.01425  -0.02011   0.87243
   D36        2.90871   0.00001  -0.00573  -0.01369  -0.01942   2.88929
   D37        0.00174  -0.00001   0.00033  -0.00014   0.00018   0.00192
   D38       -3.12958   0.00000  -0.00005   0.00055   0.00050  -3.12908
   D39       -3.13361  -0.00001   0.00026  -0.00064  -0.00038  -3.13399
   D40        0.01826   0.00000  -0.00012   0.00006  -0.00006   0.01820
   D41       -1.23539  -0.00003  -0.00040  -0.00161  -0.00201  -1.23740
   D42        1.27131   0.00001  -0.00052  -0.00203  -0.00255   1.26877
   D43        2.88644  -0.00004  -0.00048  -0.00171  -0.00219   2.88424
   D44       -0.89004   0.00001  -0.00060  -0.00213  -0.00273  -0.89277
   D45        0.89519  -0.00005  -0.00043  -0.00204  -0.00247   0.89272
   D46       -2.88129   0.00000  -0.00055  -0.00246  -0.00301  -2.88430
   D47       -1.18039  -0.00001  -0.00048  -0.00346  -0.00394  -1.18434
   D48        3.03423   0.00001  -0.00055  -0.00347  -0.00402   3.03022
   D49        0.92269   0.00001  -0.00062  -0.00376  -0.00437   0.91832
   D50        2.55654  -0.00003  -0.00033  -0.00297  -0.00330   2.55324
   D51        0.48798  -0.00002  -0.00040  -0.00297  -0.00337   0.48461
   D52       -1.62357  -0.00002  -0.00046  -0.00326  -0.00372  -1.62729
   D53       -2.76406  -0.00009   0.00110  -0.00036   0.00074  -2.76332
   D54        0.42071  -0.00009   0.00087  -0.00041   0.00046   0.42117
   D55       -0.26449  -0.00003   0.00099  -0.00076   0.00023  -0.26426
   D56        2.92028  -0.00003   0.00076  -0.00081  -0.00005   2.92023
   D57        2.83717  -0.00007   0.00046   0.00096   0.00141   2.83858
   D58        0.38012  -0.00004   0.00044   0.00254   0.00298   0.38310
   D59       -0.26195  -0.00007   0.00023   0.00091   0.00114  -0.26082
   D60       -2.71900  -0.00005   0.00021   0.00249   0.00270  -2.71630
   D61       -1.42789  -0.00012   0.00010  -0.00305  -0.00295  -1.43084
   D62        2.71570   0.00012   0.00014  -0.00322  -0.00308   2.71263
   D63        0.65742   0.00002   0.00014  -0.00325  -0.00311   0.65431
   D64        1.05886  -0.00014   0.00015  -0.00464  -0.00450   1.05437
   D65       -1.08073   0.00010   0.00019  -0.00481  -0.00462  -1.08535
   D66       -3.13902   0.00000   0.00019  -0.00484  -0.00465   3.13952
   D67       -0.58372   0.00002   0.00087   0.00348   0.00434  -0.57938
   D68        2.57414   0.00035   0.00099   0.00520   0.00620   2.58034
   D69        1.53344   0.00017   0.00070   0.00370   0.00439   1.53783
   D70       -1.59188   0.00051   0.00083   0.00542   0.00625  -1.58563
   D71       -2.64363  -0.00002   0.00090   0.00346   0.00436  -2.63927
   D72        0.51423   0.00032   0.00103   0.00518   0.00621   0.52045
   D73        1.19601   0.00010   0.00117   0.00673   0.00790   1.20391
   D74       -2.91936  -0.00011   0.00137   0.00612   0.00750  -2.91186
   D75       -0.87272  -0.00004   0.00116   0.00598   0.00714  -0.86558
   D76       -0.93235   0.00019   0.00129   0.00644   0.00773  -0.92462
   D77        1.23547  -0.00002   0.00149   0.00583   0.00732   1.24279
   D78       -3.00108   0.00005   0.00128   0.00568   0.00696  -2.99411
   D79       -3.04649   0.00024   0.00109   0.00683   0.00792  -3.03858
   D80       -0.87867   0.00003   0.00129   0.00622   0.00751  -0.87117
   D81        1.16797   0.00010   0.00108   0.00607   0.00715   1.17512
   D82        3.12434  -0.00047   0.00032   0.00157   0.00189   3.12623
   D83        0.03219  -0.00011  -0.00137  -0.00740  -0.00878   0.02341
   D84       -0.00134  -0.00013   0.00045   0.00324   0.00369   0.00235
   D85       -3.09349   0.00023  -0.00124  -0.00573  -0.00698  -3.10047
   D86        2.46906   0.00026  -0.00109  -0.00905  -0.01014   2.45892
   D87       -1.64568   0.00072  -0.00124  -0.00886  -0.01010  -1.65578
   D88        0.42366   0.00016  -0.00088  -0.00923  -0.01011   0.41355
   D89       -0.71964  -0.00008   0.00053  -0.00049   0.00004  -0.71960
   D90        1.44881   0.00038   0.00038  -0.00030   0.00007   1.44888
   D91       -2.76504  -0.00018   0.00073  -0.00067   0.00006  -2.76498
   D92        1.04558  -0.00027  -0.00002  -0.00056  -0.00058   1.04500
   D93       -1.10415  -0.00027   0.00001  -0.00056  -0.00056  -1.10470
   D94       -3.07938  -0.00028   0.00007  -0.00047  -0.00040  -3.07978
   D95       -1.10437   0.00022  -0.00005  -0.00023  -0.00029  -1.10465
   D96        3.02909   0.00022  -0.00002  -0.00024  -0.00026   3.02883
   D97        1.05385   0.00020   0.00004  -0.00014  -0.00010   1.05374
   D98        3.08624   0.00005  -0.00013  -0.00021  -0.00034   3.08589
   D99        0.93651   0.00005  -0.00011  -0.00021  -0.00032   0.93619
   D100      -1.03873   0.00004  -0.00004  -0.00012  -0.00016  -1.03889
   D101       1.17221  -0.00035  -0.00174  -0.00610  -0.00785   1.16437
   D102      -0.94664  -0.00012  -0.00203  -0.00662  -0.00865  -0.95529
   D103      -2.96476  -0.00035  -0.00191  -0.00609  -0.00799  -2.97275
   D104      -2.96837  -0.00003  -0.00187  -0.00575  -0.00762  -2.97599
   D105       1.19596   0.00020  -0.00215  -0.00627  -0.00842   1.18754
   D106      -0.82215  -0.00003  -0.00203  -0.00574  -0.00777  -0.82992
   D107      -0.88394   0.00009  -0.00199  -0.00583  -0.00781  -0.89175
   D108      -3.00279   0.00031  -0.00227  -0.00634  -0.00861  -3.01141
   D109       1.26228   0.00008  -0.00215  -0.00581  -0.00796   1.25432
   D110      -1.64224  -0.00001   0.00045   0.00025   0.00070  -1.64154
   D111       1.50833  -0.00001   0.00043   0.00021   0.00064   1.50897
   D112       0.49514  -0.00002   0.00040   0.00016   0.00056   0.49570
   D113      -2.63747  -0.00002   0.00038   0.00012   0.00050  -2.63697
   D114       2.49581  -0.00001   0.00041   0.00015   0.00056   2.49637
   D115      -0.63680  -0.00001   0.00039   0.00011   0.00050  -0.63630
   D116       3.14045   0.00000  -0.00004  -0.00006  -0.00010   3.14035
   D117      -0.01711   0.00000  -0.00007  -0.00012  -0.00019  -0.01731
   D118      -0.01003   0.00000  -0.00002  -0.00002  -0.00004  -0.01007
   D119       3.11559   0.00001  -0.00005  -0.00008  -0.00014   3.11546
   D120      -3.14016   0.00000  -0.00001   0.00007   0.00006  -3.14010
   D121       0.00756   0.00001  -0.00001   0.00017   0.00016   0.00772
   D122       0.01036   0.00000  -0.00003   0.00003   0.00000   0.01037
   D123      -3.12510   0.00000  -0.00003   0.00013   0.00010  -3.12499
   D124       0.00211   0.00000   0.00005  -0.00001   0.00004   0.00215
   D125       3.13901  -0.00001   0.00008  -0.00001   0.00007   3.13908
   D126      -3.12359  -0.00001   0.00008   0.00006   0.00014  -3.12345
   D127       0.01331  -0.00001   0.00011   0.00005   0.00016   0.01347
   D128       0.00552   0.00000  -0.00003   0.00003   0.00000   0.00551
   D129       3.14154   0.00000   0.00001  -0.00002  -0.00001   3.14153
   D130      -3.13137   0.00000  -0.00006   0.00003  -0.00003  -3.13140
   D131       0.00465   0.00000  -0.00002  -0.00001  -0.00003   0.00461
   D132      -0.00518   0.00000  -0.00002  -0.00002  -0.00003  -0.00521
   D133       3.13389   0.00000   0.00000  -0.00005  -0.00005   3.13384
   D134      -3.14120   0.00000  -0.00006   0.00003  -0.00003  -3.14123
   D135      -0.00213   0.00000  -0.00004  -0.00001  -0.00005  -0.00218
   D136      -0.00279   0.00000   0.00005  -0.00001   0.00004  -0.00276
   D137       3.13270   0.00000   0.00005  -0.00011  -0.00006   3.13263
   D138       3.14132   0.00000   0.00003   0.00003   0.00005   3.14137
   D139      -0.00638   0.00000   0.00003  -0.00008  -0.00004  -0.00642
   D140      -1.82215   0.00027  -0.00020  -0.00440  -0.00460  -1.82676
   D141       2.47610  -0.00013   0.00032  -0.00328  -0.00296   2.47314
   D142       0.26834   0.00000  -0.00009  -0.00367  -0.00375   0.26459
   D143       0.31528   0.00008   0.00003  -0.00377  -0.00374   0.31154
   D144      -1.66964  -0.00032   0.00055  -0.00265  -0.00210  -1.67174
   D145       2.40578  -0.00019   0.00015  -0.00304  -0.00289   2.40289
   D146       2.33012   0.00034  -0.00012  -0.00427  -0.00440   2.32573
   D147       0.34519  -0.00006   0.00040  -0.00315  -0.00276   0.34244
   D148      -1.86257   0.00007  -0.00001  -0.00354  -0.00354  -1.86612
   D149       1.58894  -0.00046  -0.00490  -0.03822  -0.04312   1.54582
   D150      -2.56793   0.00017  -0.00519  -0.03784  -0.04304  -2.61097
   D151      -0.52254  -0.00008  -0.00509  -0.03927  -0.04435  -0.56689
   D152      -1.02037   0.00007  -0.00064   0.00756   0.00693  -1.01345
   D153       3.10849   0.00027  -0.00099   0.00652   0.00553   3.11402
   D154       1.10554   0.00015  -0.00094   0.00730   0.00636   1.11190
   D155      -3.06538  -0.00008  -0.00059   0.00672   0.00612  -3.05925
   D156       1.06348   0.00012  -0.00095   0.00568   0.00473   1.06821
   D157      -0.93947   0.00000  -0.00089   0.00645   0.00556  -0.93391
   D158       1.19124  -0.00003  -0.00039   0.00822   0.00783   1.19907
   D159      -0.96309   0.00017  -0.00075   0.00718   0.00644  -0.95665
   D160      -2.96604   0.00005  -0.00069   0.00796   0.00727  -2.95877
   D161       2.95799   0.00018  -0.00141  -0.00170  -0.00311   2.95488
   D162      -1.18354   0.00014  -0.00130  -0.00179  -0.00310  -1.18663
   D163       0.82059   0.00016  -0.00142  -0.00182  -0.00324   0.81736
   D164      -1.20468  -0.00007  -0.00145  -0.00156  -0.00301  -1.20769
   D165       0.93698  -0.00012  -0.00134  -0.00166  -0.00300   0.93399
   D166       2.94111  -0.00009  -0.00146  -0.00168  -0.00314   2.93797
   D167       0.83986   0.00003  -0.00128  -0.00140  -0.00269   0.83717
   D168       2.98152  -0.00001  -0.00117  -0.00150  -0.00267   2.97884
   D169      -1.29754   0.00002  -0.00129  -0.00153  -0.00281  -1.30035
   D170       1.09016  -0.00027   0.00095   0.00604   0.00699   1.09715
   D171      -1.35202  -0.00010   0.00146   0.00707   0.00854  -1.34348
   D172      -1.06536  -0.00005   0.00064   0.00560   0.00624  -1.05912
   D173       2.77565   0.00013   0.00115   0.00664   0.00779   2.78344
   D174       3.13071  -0.00012   0.00078   0.00539   0.00617   3.13688
   D175       0.68853   0.00006   0.00130   0.00642   0.00772   0.69625
   D176       1.66175  -0.00003   0.00018  -0.00040  -0.00022   1.66153
   D177      -1.48202  -0.00002   0.00017  -0.00035  -0.00018  -1.48220
   D178      -0.47711  -0.00001   0.00014  -0.00067  -0.00052  -0.47763
   D179       2.66230  -0.00001   0.00013  -0.00061  -0.00048   2.66182
   D180      -2.49255   0.00003   0.00009  -0.00042  -0.00034  -2.49288
   D181       0.64687   0.00003   0.00007  -0.00037  -0.00030   0.64657
   D182       3.13591   0.00001  -0.00006   0.00016   0.00010   3.13601
   D183      -0.01326   0.00000  -0.00004   0.00031   0.00027  -0.01299
   D184      -0.00352   0.00000  -0.00005   0.00011   0.00006  -0.00346
   D185       3.13050   0.00000  -0.00003   0.00026   0.00023   3.13073
   D186      -3.13571  -0.00001   0.00005  -0.00014  -0.00009  -3.13580
   D187       0.00631  -0.00001   0.00005  -0.00014  -0.00009   0.00621
   D188       0.00371   0.00000   0.00003  -0.00009  -0.00006   0.00366
   D189      -3.13746   0.00000   0.00004  -0.00009  -0.00005  -3.13751
   D190       0.00061   0.00000   0.00003  -0.00005  -0.00003   0.00059
   D191       3.14122   0.00000   0.00003  -0.00005  -0.00001   3.14121
   D192      -3.13336   0.00000   0.00000  -0.00020  -0.00019  -3.13355
   D193       0.00725   0.00000   0.00001  -0.00019  -0.00018   0.00707
   D194       0.00211   0.00000   0.00001  -0.00003  -0.00002   0.00209
   D195      -3.14032   0.00000   0.00002  -0.00002   0.00000  -3.14032
   D196      -3.13850   0.00000   0.00001  -0.00004  -0.00003  -3.13853
   D197       0.00225   0.00000   0.00001  -0.00003  -0.00001   0.00224
   D198      -0.00191   0.00000  -0.00003   0.00005   0.00002  -0.00189
   D199       3.13957   0.00000  -0.00004   0.00006   0.00002   3.13959
   D200       3.14052   0.00000  -0.00004   0.00004   0.00001   3.14052
   D201      -0.00118   0.00000  -0.00005   0.00005   0.00000  -0.00118
   D202      -0.00100   0.00000   0.00001   0.00001   0.00001  -0.00099
   D203       3.14017   0.00000   0.00000   0.00001   0.00001   3.14018
   D204       3.14070   0.00000   0.00002   0.00000   0.00002   3.14072
   D205      -0.00131   0.00000   0.00001   0.00000   0.00001  -0.00130
   D206       0.59362  -0.00013   0.00163  -0.00007   0.00156   0.59518
   D207      -2.59230   0.00014   0.00149  -0.00089   0.00060  -2.59170
   D208       3.01764  -0.00032   0.00102  -0.00113  -0.00011   3.01753
   D209      -0.16828  -0.00005   0.00088  -0.00195  -0.00107  -0.16935
   D210       3.10109  -0.00043   0.00048   0.00115   0.00164   3.10273
   D211      -0.08112  -0.00018   0.00036   0.00041   0.00078  -0.08034
   D212      -1.15189   0.00028  -0.00054  -0.00035  -0.00089  -1.15277
   D213       3.03213   0.00021  -0.00039  -0.00019  -0.00058   3.03155
   D214       1.00887  -0.00009  -0.00021  -0.00038  -0.00059   1.00828
   D215      -2.05524  -0.00014  -0.00185  -0.00127  -0.00312  -2.05836
   D216       1.06186  -0.00019  -0.00231  -0.00062  -0.00293   1.05893
   D217      -0.09882  -0.00007  -0.00226  -0.00129  -0.00355  -0.10237
   D218       3.01827  -0.00012  -0.00271  -0.00064  -0.00335   3.01492
   D219       2.11389   0.00015  -0.00193  -0.00117  -0.00310   2.11080
   D220      -1.05220   0.00010  -0.00238  -0.00052  -0.00290  -1.05510
   D221       3.13302  -0.00010  -0.00038  -0.00006  -0.00043   3.13259
   D222      -0.02336   0.00006  -0.00203   0.00009  -0.00194  -0.02530
   D223       0.01394  -0.00004   0.00004  -0.00065  -0.00061   0.01333
   D224       3.14074   0.00011  -0.00162  -0.00050  -0.00212   3.13862
   D225      -3.14125   0.00014  -0.00004   0.00013   0.00009  -3.14116
   D226      -0.01954   0.00011  -0.00041   0.00065   0.00024  -0.01929
   D227       0.00258  -0.00008   0.00051   0.00025   0.00077   0.00334
   D228      -3.12570  -0.00022   0.00201   0.00011   0.00212  -3.12358
   D229      -0.01818   0.00017  -0.00083   0.00027  -0.00056  -0.01873
   D230      -3.11910   0.00003  -0.00029   0.00014  -0.00015  -3.11926
   D231       0.02219  -0.00017   0.00073  -0.00054   0.00019   0.02238
   D232       3.12475  -0.00003   0.00021  -0.00041  -0.00020   3.12455
   D233      -0.95558  -0.00008   0.00051   0.01436   0.01488  -0.94070
   D234       1.13371  -0.00004   0.00052   0.01508   0.01560   1.14931
   D235      -3.04891  -0.00004   0.00038   0.01437   0.01475  -3.03416
   D236      -3.11913   0.00000   0.00038   0.01457   0.01495  -3.10418
   D237      -1.02985   0.00004   0.00038   0.01529   0.01568  -1.01417
   D238       1.07072   0.00004   0.00024   0.01458   0.01482   1.08554
   D239       1.09296   0.00001   0.00042   0.01496   0.01537   1.10833
   D240      -3.10094   0.00005   0.00042   0.01568   0.01610  -3.08484
   D241      -1.00037   0.00005   0.00028   0.01496   0.01525  -0.98513
   D242       2.99127  -0.00002   0.00095  -0.00290  -0.00194   2.98933
   D243      -1.21803  -0.00007   0.00116  -0.00277  -0.00161  -1.21965
   D244       0.91233  -0.00007   0.00120  -0.00279  -0.00159   0.91074
   D245      -1.10500   0.00002   0.00090  -0.00303  -0.00213  -1.10713
   D246       0.96888  -0.00002   0.00110  -0.00290  -0.00180   0.96708
   D247       3.09924  -0.00002   0.00114  -0.00292  -0.00178   3.09746
   D248       0.96603  -0.00001   0.00106  -0.00299  -0.00193   0.96410
   D249       3.03992  -0.00006   0.00126  -0.00287  -0.00160   3.03831
   D250      -1.11291  -0.00006   0.00130  -0.00288  -0.00158  -1.11449
   D251       0.00053   0.00001  -0.00046   0.00019  -0.00027   0.00026
   D252       3.13260   0.00000  -0.00011  -0.00046  -0.00057   3.13204
         Item               Value     Threshold  Converged?
 Maximum Force            0.001731     0.000450     NO 
 RMS     Force            0.000200     0.000300     YES
 Maximum Displacement     0.117977     0.001800     NO 
 RMS     Displacement     0.017562     0.001200     NO 
 Predicted change in Energy=-5.336236D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.867790   -1.898633    0.901216
      2          6           0       -9.347267   -0.869349   -0.106520
      3          6           0      -10.051947    0.482312    0.044365
      4          6           0       -7.866993   -0.702341    0.035220
      5          7           0       -6.960796   -0.944242   -0.880606
      6          6           0       -5.643314   -0.682732   -0.419661
      7          6           0       -4.508934   -0.932469   -1.373557
      8          7           0       -3.903817    0.314537   -1.908835
      9          6           0       -4.778195    1.042872   -2.870043
     10          6           0       -3.089876    1.142390   -1.091236
     11          8           0       -2.901531    2.326464   -1.348145
     12          7           0       -2.444661    0.532438    0.026715
     13          6           0       -1.314378    1.286979    0.615335
     14          6           0       -0.025023    1.038678   -0.196716
     15          8           0        0.224559   -0.027330   -0.752929
     16          7           0        0.866849    2.099895   -0.247729
     17          6           0        2.161285    2.000626   -0.977225
     18          6           0        2.454107    3.332888   -1.703333
     19          6           0        2.554852    4.527129   -0.795528
     20          6           0        1.426299    5.329397   -0.563260
     21          6           0        1.516102    6.439175    0.281054
     22          6           0        2.729829    6.758907    0.897283
     23          6           0        3.857865    5.966865    0.660450
     24          6           0        3.774191    4.856086   -0.183163
     25          6           0        3.294695    1.600898   -0.010108
     26          6           0        3.105223    0.177313    0.523109
     27          8           0        2.637786    0.259447    1.887466
     28          6           0        4.417242   -0.648907    0.673794
     29          6           0        5.170987   -0.772139   -0.660458
     30          6           0        6.549610   -1.339625   -0.466159
     31          6           0        6.770785   -2.715830   -0.629191
     32          6           0        8.052459   -3.242945   -0.455453
     33          6           0        9.119603   -2.403455   -0.118082
     34          6           0        8.900068   -1.032655    0.047809
     35          6           0        7.619726   -0.498894   -0.124407
     36          7           0        4.064029   -1.990330    1.237643
     37          6           0        3.236499   -2.829722    0.487752
     38          8           0        3.169182   -2.956869   -0.724776
     39          8           0        2.473875   -3.606584    1.349326
     40          6           0        1.511410   -4.510427    0.715993
     41          6           0        0.458375   -3.738630    0.028412
     42          6           0       -0.892390   -3.696611    0.248476
     43          7           0       -1.613955   -2.830223   -0.597317
     44          6           0       -0.818202   -2.220046   -1.458015
     45         16           0        0.877791   -2.645142   -1.269442
     46          6           0       -1.137151    0.863458    2.102959
     47          6           0       -0.629555   -0.571145    2.249354
     48          6           0       -0.208289    1.842158    2.826164
     49          6           0       -5.554811   -0.230802    0.865859
     50         16           0       -7.142659   -0.116826    1.559457
     51          1           0      -10.934549   -2.095937    0.741934
     52          1           0       -9.339607   -2.855802    0.805168
     53          1           0       -9.753184   -1.562478    1.938473
     54          1           0       -9.549819   -1.259532   -1.145141
     55          1           0       -9.946041    0.897195    1.053803
     56          1           0       -9.652493    1.223798   -0.658948
     57          1           0      -11.125844    0.387135   -0.154947
     58          1           0       -3.722262   -1.560203   -0.881883
     59          1           0       -4.865238   -1.538702   -2.245546
     60          1           0       -4.875304    0.436861   -3.785601
     61          1           0       -4.321925    2.013745   -3.141983
     62          1           0       -5.785640    1.236622   -2.466229
     63          1           0       -2.301724   -0.488034    0.010603
     64          1           0       -1.584604    2.384123    0.575796
     65          1           0        0.683809    2.975049    0.240094
     66          1           0        2.050016    1.194438   -1.760149
     67          1           0        1.661217    3.502728   -2.466277
     68          1           0        3.388103    3.220527   -2.293042
     69          1           0        0.479931    5.098523   -1.052188
     70          1           0        0.637146    7.059022    0.455241
     71          1           0        2.797956    7.623459    1.554378
     72          1           0        4.806594    6.217609    1.133342
     73          1           0        4.659333    4.251283   -0.367537
     74          1           0        3.343911    2.303354    0.849945
     75          1           0        4.269969    1.701787   -0.526983
     76          1           0        2.353396   -0.384695   -0.088388
     77          1           0        1.643449    0.306485    1.909710
     78          1           0        5.076121   -0.157474    1.441424
     79          1           0        4.587770   -1.406935   -1.372111
     80          1           0        5.228372    0.224640   -1.147144
     81          1           0        5.936774   -3.370633   -0.884863
     82          1           0        8.220283   -4.311203   -0.582395
     83          1           0       10.116755   -2.816368    0.015431
     84          1           0        9.728418   -0.377931    0.312102
     85          1           0        7.457573    0.567586    0.007739
     86          1           0        3.872953   -1.963449    2.250040
     87          1           0        1.145713   -5.070733    1.600754
     88          1           0        2.066824   -5.183153    0.031585
     89          1           0       -1.453066   -4.262579    0.984196
     90          1           0       -1.140824   -1.491723   -2.196256
     91          1           0       -2.154170    0.928717    2.574017
     92          1           0       -1.257979   -1.290422    1.707322
     93          1           0        0.394200   -0.699464    1.858260
     94          1           0       -0.615545   -0.884337    3.300148
     95          1           0       -0.199929    1.643446    3.906149
     96          1           0        0.836148    1.760975    2.488588
     97          1           0       -0.522886    2.883756    2.701199
     98          1           0       -4.669310    0.040235    1.418347
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0825124      0.0287016      0.0232542
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3658.2721818289 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258368943035     A.U. after   17 cycles
             Convg  =    0.4643D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000008308    0.000010132    0.000006742
      2        6          -0.000027544    0.000020154   -0.000055954
      3        6           0.000000582   -0.000012757    0.000035117
      4        6           0.000123951   -0.000181753    0.000222052
      5        7          -0.000277437   -0.000059832    0.000004090
      6        6          -0.000027854    0.000075436   -0.000061369
      7        6          -0.000076440   -0.000099694   -0.000106905
      8        7           0.000152001   -0.000031071    0.000177994
      9        6           0.000019862    0.000072037   -0.000012502
     10        6          -0.000156161   -0.000045016    0.000283517
     11        8          -0.000045121    0.000025593    0.000067923
     12        7          -0.000059225   -0.000116724   -0.000283574
     13        6           0.000125354    0.000039100   -0.000086799
     14        6           0.000060097    0.000490260    0.000192608
     15        8           0.000094497    0.000053064   -0.000007116
     16        7          -0.000082880   -0.000429435    0.000065748
     17        6           0.000268590   -0.000035368   -0.000345556
     18        6          -0.000084930    0.000226270   -0.000046318
     19        6          -0.000064557   -0.000061967    0.000042695
     20        6           0.000059238   -0.000055749   -0.000027807
     21        6           0.000030275    0.000043415   -0.000000300
     22        6          -0.000044136   -0.000024920    0.000023349
     23        6           0.000015340   -0.000044519    0.000002375
     24        6           0.000003201    0.000045561    0.000023251
     25        6          -0.000095278   -0.000247410    0.000064621
     26        6          -0.000078095   -0.000213566    0.000076776
     27        8           0.000413052    0.000376991    0.000078508
     28        6           0.000101488    0.000208432   -0.000112456
     29        6           0.000202331    0.000072950    0.000045752
     30        6          -0.000112766    0.000001575   -0.000022467
     31        6           0.000060424   -0.000004424   -0.000032087
     32        6          -0.000068185    0.000001272    0.000023847
     33        6           0.000000057    0.000037998    0.000009716
     34        6           0.000046760   -0.000010967   -0.000014190
     35        6          -0.000029323   -0.000037832   -0.000000472
     36        7          -0.000319896   -0.000056180    0.000206956
     37        6           0.000021969    0.000331683   -0.000844128
     38        8           0.000280156   -0.000251941    0.000247514
     39        8           0.000250932    0.000355687    0.000549660
     40        6          -0.000492979   -0.000484396   -0.000025234
     41        6           0.000533151   -0.000158664    0.000234960
     42        6          -0.000497996    0.000259465    0.000013593
     43        7          -0.000066951    0.000292002   -0.000555002
     44        6           0.000254348   -0.000381919    0.000361254
     45       16          -0.000340898    0.000005845   -0.000045681
     46        6          -0.000164604    0.000100662   -0.000001790
     47        6          -0.000691667   -0.000432808   -0.000032425
     48        6           0.000157170   -0.000060941    0.000012754
     49        6           0.000267765   -0.000042014    0.000134803
     50       16          -0.000176878    0.000151598   -0.000215229
     51        1          -0.000023010    0.000013982   -0.000008163
     52        1           0.000003318   -0.000018981    0.000013662
     53        1           0.000005224   -0.000013752    0.000006826
     54        1           0.000015753   -0.000015890   -0.000030460
     55        1           0.000020543    0.000002738   -0.000001172
     56        1          -0.000004712    0.000002599   -0.000006011
     57        1           0.000019684    0.000007497    0.000000580
     58        1          -0.000034407    0.000030179   -0.000001187
     59        1           0.000052141    0.000143430   -0.000018295
     60        1          -0.000031992   -0.000014637   -0.000028852
     61        1           0.000017299   -0.000008804   -0.000057365
     62        1          -0.000026982   -0.000017195    0.000007786
     63        1           0.000058739   -0.000059989   -0.000040819
     64        1          -0.000090125    0.000133555    0.000022211
     65        1          -0.000025801   -0.000003306   -0.000003565
     66        1          -0.000099517    0.000164392    0.000111432
     67        1           0.000004358    0.000005481    0.000000044
     68        1           0.000015812   -0.000027615   -0.000014480
     69        1           0.000005862    0.000018115    0.000010610
     70        1          -0.000002281   -0.000007826   -0.000013426
     71        1           0.000009851   -0.000001130   -0.000006906
     72        1           0.000002314    0.000005353    0.000001131
     73        1           0.000004024   -0.000008556   -0.000009592
     74        1          -0.000017624    0.000060794   -0.000048882
     75        1           0.000081768   -0.000116117   -0.000004543
     76        1           0.000019620    0.000069485    0.000083939
     77        1          -0.000012472   -0.000175650   -0.000186463
     78        1           0.000029880   -0.000056168    0.000116614
     79        1           0.000004024    0.000099977   -0.000014923
     80        1          -0.000089432   -0.000024042   -0.000027577
     81        1           0.000026130    0.000020165    0.000005762
     82        1          -0.000001816   -0.000003863    0.000001377
     83        1          -0.000000949    0.000003963    0.000008303
     84        1           0.000001356    0.000003428   -0.000003222
     85        1           0.000002391    0.000019060    0.000000562
     86        1           0.000080692   -0.000089654    0.000038251
     87        1           0.000014753    0.000123856   -0.000103130
     88        1          -0.000035395    0.000144923   -0.000064889
     89        1           0.000132380   -0.000264848    0.000091023
     90        1           0.000016952   -0.000051817   -0.000091330
     91        1           0.000058050    0.000082093    0.000100595
     92        1           0.000093037    0.000128436    0.000090805
     93        1           0.000400510   -0.000103989   -0.000056006
     94        1           0.000125723    0.000036497   -0.000147992
     95        1           0.000015168   -0.000028947    0.000094134
     96        1          -0.000276538    0.000081249    0.000029083
     97        1          -0.000021513   -0.000009984   -0.000092330
     98        1          -0.000011885    0.000006196   -0.000025965
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000844128 RMS     0.000157634

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002342683 RMS     0.000270069
 Search for a local minimum.
 Step number  67 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   60   61   62   63   64
                                                     65   66   67
 DE= -5.43D-06 DEPred=-5.34D-06 R= 1.02D+00
 SS=  1.41D+00  RLast= 1.15D-01 DXNew= 1.2520D+00 3.4541D-01
 Trust test= 1.02D+00 RLast= 1.15D-01 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00022   0.00166   0.00189   0.00232   0.00267
     Eigenvalues ---    0.00340   0.00388   0.00450   0.00557   0.00646
     Eigenvalues ---    0.00675   0.00736   0.00808   0.00895   0.00960
     Eigenvalues ---    0.00984   0.01015   0.01129   0.01182   0.01273
     Eigenvalues ---    0.01296   0.01364   0.01417   0.01448   0.01481
     Eigenvalues ---    0.01607   0.01637   0.01695   0.01733   0.01756
     Eigenvalues ---    0.01927   0.01989   0.02091   0.02107   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02251   0.02258   0.02268
     Eigenvalues ---    0.02290   0.02329   0.02372   0.02404   0.02409
     Eigenvalues ---    0.02414   0.02447   0.02482   0.02485   0.02520
     Eigenvalues ---    0.02527   0.02528   0.02657   0.02695   0.02755
     Eigenvalues ---    0.02857   0.02994   0.03345   0.03746   0.03943
     Eigenvalues ---    0.04013   0.04095   0.04170   0.04359   0.04387
     Eigenvalues ---    0.04589   0.04706   0.04933   0.04965   0.05082
     Eigenvalues ---    0.05124   0.05204   0.05239   0.05366   0.05400
     Eigenvalues ---    0.05449   0.05467   0.05535   0.05581   0.05626
     Eigenvalues ---    0.05669   0.05720   0.05790   0.05856   0.05867
     Eigenvalues ---    0.05923   0.05987   0.06094   0.06131   0.06297
     Eigenvalues ---    0.06508   0.06736   0.06886   0.07077   0.07122
     Eigenvalues ---    0.07526   0.07946   0.08337   0.08610   0.08789
     Eigenvalues ---    0.09386   0.09818   0.09882   0.10322   0.11363
     Eigenvalues ---    0.12149   0.12890   0.13121   0.13275   0.13466
     Eigenvalues ---    0.13793   0.13917   0.14467   0.15497   0.15655
     Eigenvalues ---    0.15756   0.15805   0.15964   0.15979   0.15982
     Eigenvalues ---    0.15992   0.15993   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16009   0.16011   0.16016
     Eigenvalues ---    0.16041   0.16067   0.16078   0.16098   0.16136
     Eigenvalues ---    0.16321   0.16337   0.16528   0.16894   0.17251
     Eigenvalues ---    0.17386   0.17965   0.18113   0.18516   0.18921
     Eigenvalues ---    0.19559   0.19990   0.20731   0.21058   0.21754
     Eigenvalues ---    0.21852   0.21942   0.22000   0.22001   0.22009
     Eigenvalues ---    0.22037   0.22373   0.22535   0.23118   0.23254
     Eigenvalues ---    0.23434   0.23503   0.23650   0.23815   0.24207
     Eigenvalues ---    0.24384   0.24772   0.24836   0.24994   0.25030
     Eigenvalues ---    0.25099   0.25220   0.25606   0.26121   0.26879
     Eigenvalues ---    0.28051   0.29308   0.29665   0.29769   0.29862
     Eigenvalues ---    0.29956   0.30120   0.30284   0.30467   0.30634
     Eigenvalues ---    0.30722   0.30905   0.31316   0.31381   0.31428
     Eigenvalues ---    0.31447   0.31500   0.31601   0.31669   0.31907
     Eigenvalues ---    0.31929   0.32005   0.32265   0.32328   0.32544
     Eigenvalues ---    0.32591   0.32673   0.32753   0.32812   0.32874
     Eigenvalues ---    0.32936   0.33001   0.33042   0.33068   0.33156
     Eigenvalues ---    0.33216   0.33228   0.33419   0.33558   0.33674
     Eigenvalues ---    0.33738   0.33794   0.33896   0.33967   0.33984
     Eigenvalues ---    0.34122   0.34180   0.34234   0.34252   0.34381
     Eigenvalues ---    0.34503   0.34526   0.34621   0.34712   0.34876
     Eigenvalues ---    0.35398   0.36244   0.36311   0.36376   0.36474
     Eigenvalues ---    0.36631   0.36836   0.36945   0.37162   0.37303
     Eigenvalues ---    0.38481   0.38943   0.39524   0.39855   0.40872
     Eigenvalues ---    0.41554   0.41772   0.42516   0.42715   0.43084
     Eigenvalues ---    0.43323   0.43641   0.43985   0.44818   0.45255
     Eigenvalues ---    0.45951   0.47063   0.47584   0.48367   0.48541
     Eigenvalues ---    0.48629   0.48861   0.49064   0.49740   0.49988
     Eigenvalues ---    0.50279   0.50993   0.51258   0.51368   0.51928
     Eigenvalues ---    0.56436   0.58778   0.59327   0.62068   0.63397
     Eigenvalues ---    0.64155   0.68501   0.76941   0.79141   0.84970
     Eigenvalues ---    1.52558   2.10829   5.823051000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    67   66   65   64   63
 RFO step:  Lambda=-1.99811114D-05.
 DIIS coeffs:      3.24566     -4.07388      2.52759     -0.48995     -0.20941
 Iteration  1 RMS(Cart)=  0.00848891 RMS(Int)=  0.00003312
 Iteration  2 RMS(Cart)=  0.00003804 RMS(Int)=  0.00000697
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000697
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89437   0.00001   0.00005  -0.00004   0.00001   2.89438
    R2        2.07205  -0.00001  -0.00005   0.00004  -0.00002   2.07204
    R3        2.07386  -0.00001   0.00004  -0.00004  -0.00001   2.07386
    R4        2.07185   0.00002   0.00001   0.00001   0.00001   2.07186
    R5        2.89463   0.00002   0.00000   0.00003   0.00004   2.89467
    R6        2.82777   0.00001   0.00004  -0.00004   0.00001   2.82778
    R7        2.13129   0.00000  -0.00005   0.00002  -0.00003   2.13127
    R8        2.07208   0.00000  -0.00002   0.00001  -0.00001   2.07208
    R9        2.07355   0.00001  -0.00004   0.00002  -0.00002   2.07353
   R10        2.07185   0.00002   0.00000  -0.00001  -0.00002   2.07183
   R11        2.47723   0.00014   0.00012  -0.00011   0.00001   2.47724
   R12        3.37557  -0.00020  -0.00023   0.00027   0.00004   3.37562
   R13        2.68356  -0.00018  -0.00014   0.00009  -0.00004   2.68351
   R14        2.84032  -0.00005   0.00024  -0.00012   0.00012   2.84044
   R15        2.58045   0.00006   0.00013  -0.00007   0.00006   2.58051
   R16        2.80783  -0.00010  -0.00022   0.00022   0.00000   2.80783
   R17        2.11670   0.00002   0.00017  -0.00012   0.00005   2.11675
   R18        2.11686   0.00014   0.00021  -0.00021   0.00000   2.11687
   R19        2.81495   0.00006  -0.00005   0.00003  -0.00002   2.81493
   R20        2.68335   0.00002  -0.00002  -0.00021  -0.00023   2.68312
   R21        2.08293   0.00000   0.00000   0.00000   0.00000   2.08293
   R22        2.09131   0.00004   0.00009  -0.00009   0.00000   2.09132
   R23        2.08346  -0.00002  -0.00015   0.00015   0.00000   2.08346
   R24        2.31714  -0.00007   0.00011   0.00002   0.00014   2.31727
   R25        2.69785  -0.00038   0.00000   0.00015   0.00015   2.69801
   R26        2.79867  -0.00026   0.00035  -0.00014   0.00021   2.79889
   R27        1.94748  -0.00009  -0.00032   0.00007  -0.00025   1.94722
   R28        2.91748  -0.00044   0.00022  -0.00024  -0.00002   2.91746
   R29        2.94203   0.00008   0.00011  -0.00007   0.00005   2.94208
   R30        2.13657  -0.00015   0.00000   0.00013   0.00013   2.13670
   R31        2.32063  -0.00001   0.00033  -0.00055  -0.00021   2.32041
   R32        2.62136   0.00021  -0.00030   0.00097   0.00067   2.62203
   R33        2.81410  -0.00032   0.00011   0.00008   0.00019   2.81428
   R34        1.92471  -0.00001   0.00009  -0.00006   0.00003   1.92474
   R35        2.92016  -0.00004  -0.00024   0.00006  -0.00019   2.91997
   R36        2.91515  -0.00012   0.00025  -0.00016   0.00009   2.91524
   R37        2.13404   0.00016  -0.00001   0.00009   0.00008   2.13412
   R38        2.84118   0.00010   0.00000  -0.00003  -0.00004   2.84114
   R39        2.10398   0.00001   0.00000   0.00001   0.00001   2.10398
   R40        2.09813  -0.00001  -0.00001  -0.00001  -0.00002   2.09812
   R41        2.65318   0.00007   0.00002  -0.00003   0.00000   2.65317
   R42        2.65235  -0.00001  -0.00005   0.00007   0.00002   2.65237
   R43        2.64058  -0.00001  -0.00003   0.00005   0.00002   2.64060
   R44        2.05969   0.00001   0.00001   0.00001   0.00002   2.05970
   R45        2.64231   0.00004   0.00002  -0.00003  -0.00001   2.64230
   R46        2.05895   0.00000   0.00000   0.00001   0.00001   2.05896
   R47        2.64284  -0.00001  -0.00002   0.00004   0.00001   2.64285
   R48        2.05613   0.00000  -0.00001   0.00001   0.00000   2.05613
   R49        2.64056   0.00004   0.00002  -0.00004  -0.00001   2.64055
   R50        2.05849  -0.00001  -0.00001   0.00001   0.00001   2.05850
   R51        2.05560  -0.00001  -0.00001   0.00003   0.00002   2.05562
   R52        2.89493   0.00009  -0.00021   0.00021   0.00000   2.89493
   R53        2.10054  -0.00007   0.00023  -0.00019   0.00004   2.10057
   R54        2.09453  -0.00005  -0.00045   0.00049   0.00004   2.09456
   R55        2.72980   0.00002  -0.00006  -0.00010  -0.00016   2.72964
   R56        2.94381   0.00000   0.00021  -0.00002   0.00019   2.94400
   R57        2.11702   0.00006   0.00015  -0.00017  -0.00002   2.11700
   R58        1.88159  -0.00008   0.00009  -0.00027  -0.00018   1.88141
   R59        2.90523   0.00005  -0.00016   0.00000  -0.00016   2.90507
   R60        2.82961  -0.00011   0.00028  -0.00013   0.00015   2.82976
   R61        2.12532   0.00008  -0.00026   0.00040   0.00014   2.12546
   R62        2.84113   0.00006   0.00005  -0.00001   0.00004   2.84117
   R63        2.11240   0.00010  -0.00003   0.00010   0.00007   2.11247
   R64        2.09898   0.00002  -0.00017   0.00023   0.00006   2.09903
   R65        2.65198  -0.00001  -0.00003   0.00002  -0.00001   2.65197
   R66        2.65153   0.00000  -0.00002  -0.00002  -0.00004   2.65149
   R67        2.63935   0.00005  -0.00005   0.00000  -0.00004   2.63931
   R68        2.06120   0.00003   0.00011   0.00003   0.00014   2.06134
   R69        2.64383  -0.00002   0.00005  -0.00001   0.00005   2.64388
   R70        2.05751   0.00000   0.00001   0.00001   0.00001   2.05752
   R71        2.64211   0.00005  -0.00004   0.00001  -0.00003   2.64208
   R72        2.05506   0.00000  -0.00002   0.00000  -0.00001   2.05504
   R73        2.64145  -0.00002   0.00005   0.00001   0.00006   2.64151
   R74        2.05683   0.00000   0.00000   0.00000  -0.00001   2.05683
   R75        2.05376  -0.00001   0.00000  -0.00001  -0.00001   2.05375
   R76        2.64002  -0.00004   0.00007   0.00008   0.00015   2.64017
   R77        1.94759   0.00010   0.00009   0.00037   0.00046   1.94805
   R78        2.30742  -0.00039   0.00004  -0.00001   0.00003   2.30745
   R79        2.62354   0.00017   0.00050  -0.00021   0.00029   2.62383
   R80        2.76726  -0.00065  -0.00051   0.00018  -0.00033   2.76693
   R81        2.78843  -0.00001  -0.00007  -0.00002  -0.00010   2.78834
   R82        2.09622  -0.00009   0.00075  -0.00014   0.00061   2.09683
   R83        2.09535   0.00013   0.00008  -0.00002   0.00007   2.09541
   R84        2.58745  -0.00025  -0.00071   0.00029  -0.00042   2.58703
   R85        3.30354   0.00006   0.00189  -0.00074   0.00116   3.30469
   R86        2.66354   0.00035   0.00060  -0.00027   0.00032   2.66387
   R87        2.04925   0.00008   0.00021  -0.00006   0.00014   2.04940
   R88        2.49726  -0.00024  -0.00032   0.00015  -0.00017   2.49709
   R89        3.32326   0.00001   0.00037  -0.00010   0.00027   3.32353
   R90        2.05237   0.00009   0.00016  -0.00006   0.00010   2.05247
   R91        2.88898  -0.00024   0.00034  -0.00027   0.00006   2.88904
   R92        2.89299   0.00005  -0.00022   0.00029   0.00007   2.89306
   R93        2.12162   0.00010  -0.00012   0.00003  -0.00008   2.12153
   R94        2.07532   0.00015   0.00024  -0.00018   0.00005   2.07537
   R95        2.08512  -0.00036   0.00008  -0.00072  -0.00064   2.08449
   R96        2.07221  -0.00015   0.00004  -0.00012  -0.00008   2.07212
   R97        2.07519   0.00010  -0.00015   0.00019   0.00004   2.07523
   R98        2.07990   0.00025  -0.00008   0.00040   0.00032   2.08022
   R99        2.06967   0.00005  -0.00005   0.00011   0.00006   2.06973
   R100       3.28145  -0.00018  -0.00025   0.00020  -0.00005   3.28140
   R101       2.03777   0.00000   0.00008  -0.00013  -0.00005   2.03772
    A1        1.93476  -0.00001   0.00000   0.00000   0.00000   1.93476
    A2        1.94440   0.00002   0.00009  -0.00004   0.00005   1.94445
    A3        1.96157  -0.00001  -0.00006   0.00013   0.00007   1.96164
    A4        1.87400  -0.00001  -0.00010   0.00004  -0.00006   1.87394
    A5        1.86952   0.00001   0.00016  -0.00018  -0.00002   1.86950
    A6        1.87539  -0.00001  -0.00009   0.00005  -0.00004   1.87535
    A7        1.95179  -0.00003  -0.00004  -0.00001  -0.00005   1.95175
    A8        1.92716  -0.00003  -0.00026   0.00032   0.00006   1.92722
    A9        1.88849   0.00003   0.00007  -0.00007   0.00000   1.88849
   A10        1.92546   0.00006   0.00030  -0.00028   0.00001   1.92547
   A11        1.88954  -0.00001  -0.00010   0.00007  -0.00003   1.88951
   A12        1.87916  -0.00002   0.00004  -0.00004   0.00000   1.87916
   A13        1.96073   0.00002   0.00010  -0.00009   0.00001   1.96074
   A14        1.94516  -0.00001   0.00001   0.00000   0.00001   1.94517
   A15        1.93489   0.00000  -0.00010   0.00007  -0.00003   1.93486
   A16        1.87468   0.00000   0.00009  -0.00007   0.00002   1.87470
   A17        1.87005  -0.00001  -0.00006   0.00009   0.00003   1.87008
   A18        1.87415   0.00000  -0.00004   0.00001  -0.00003   1.87411
   A19        2.21063  -0.00004  -0.00007   0.00014   0.00007   2.21071
   A20        2.11594   0.00009   0.00007  -0.00016  -0.00009   2.11585
   A21        1.95661  -0.00005  -0.00001   0.00002   0.00001   1.95662
   A22        1.96123   0.00003   0.00001   0.00000   0.00001   1.96124
   A23        2.05285  -0.00008  -0.00079   0.00082   0.00003   2.05289
   A24        2.01159  -0.00004  -0.00009   0.00005  -0.00003   2.01155
   A25        2.21873   0.00012   0.00087  -0.00087   0.00000   2.21873
   A26        1.97856  -0.00002   0.00104  -0.00072   0.00031   1.97887
   A27        1.92260   0.00002  -0.00052   0.00059   0.00007   1.92267
   A28        1.92185  -0.00004  -0.00043   0.00007  -0.00035   1.92150
   A29        1.92032  -0.00003   0.00047  -0.00064  -0.00018   1.92015
   A30        1.87895   0.00007  -0.00032   0.00032  -0.00001   1.87895
   A31        1.83567  -0.00001  -0.00034   0.00047   0.00014   1.83581
   A32        1.98642   0.00008   0.00013   0.00025   0.00039   1.98681
   A33        2.11217  -0.00009   0.00077  -0.00054   0.00023   2.11240
   A34        2.00749   0.00004  -0.00014   0.00027   0.00013   2.00762
   A35        1.89535  -0.00001   0.00014  -0.00018  -0.00004   1.89531
   A36        1.92357   0.00006  -0.00017   0.00026   0.00010   1.92367
   A37        1.96703  -0.00003  -0.00008   0.00000  -0.00007   1.96696
   A38        1.89078  -0.00004  -0.00028   0.00018  -0.00010   1.89068
   A39        1.89689   0.00003   0.00044  -0.00037   0.00007   1.89696
   A40        1.88869  -0.00002  -0.00006   0.00010   0.00005   1.88874
   A41        2.12987   0.00008  -0.00045   0.00039  -0.00006   2.12980
   A42        2.04976  -0.00008   0.00034  -0.00016   0.00019   2.04995
   A43        2.10276   0.00000   0.00017  -0.00026  -0.00010   2.10266
   A44        2.02470   0.00020   0.00012  -0.00034  -0.00022   2.02449
   A45        2.06406  -0.00007   0.00014  -0.00021  -0.00007   2.06399
   A46        1.98762  -0.00012   0.00005  -0.00002   0.00003   1.98765
   A47        1.92451  -0.00012   0.00062  -0.00042   0.00021   1.92472
   A48        1.90504   0.00040   0.00033  -0.00032   0.00001   1.90505
   A49        1.87349   0.00000  -0.00006   0.00016   0.00009   1.87358
   A50        1.94311  -0.00040  -0.00057   0.00071   0.00015   1.94326
   A51        1.91482   0.00021  -0.00036  -0.00017  -0.00053   1.91429
   A52        1.90139  -0.00007   0.00004   0.00002   0.00007   1.90146
   A53        2.15027  -0.00009  -0.00026   0.00080   0.00054   2.15081
   A54        2.01890  -0.00002   0.00011  -0.00050  -0.00038   2.01852
   A55        2.11387   0.00011   0.00015  -0.00031  -0.00017   2.11370
   A56        2.12456  -0.00066  -0.00027  -0.00014  -0.00032   2.12424
   A57        2.12256   0.00034  -0.00015   0.00045   0.00039   2.12295
   A58        2.03546   0.00030  -0.00001   0.00003   0.00012   2.03557
   A59        1.91498   0.00058  -0.00001   0.00053   0.00053   1.91551
   A60        1.92710  -0.00129  -0.00030  -0.00061  -0.00090   1.92620
   A61        1.87713   0.00021  -0.00035   0.00045   0.00009   1.87722
   A62        1.95925   0.00086   0.00068  -0.00019   0.00049   1.95975
   A63        1.88429  -0.00024   0.00002  -0.00008  -0.00006   1.88423
   A64        1.89869  -0.00011  -0.00009  -0.00007  -0.00016   1.89853
   A65        1.99742  -0.00010  -0.00024   0.00005  -0.00019   1.99722
   A66        1.89501   0.00003  -0.00029   0.00006  -0.00023   1.89477
   A67        1.89835   0.00005   0.00035  -0.00014   0.00021   1.89856
   A68        1.91804   0.00003   0.00011  -0.00002   0.00009   1.91813
   A69        1.92273   0.00001   0.00000   0.00007   0.00007   1.92280
   A70        1.82405  -0.00001   0.00011  -0.00002   0.00009   1.82414
   A71        2.09429  -0.00001  -0.00019   0.00012  -0.00007   2.09422
   A72        2.10344   0.00002   0.00020  -0.00014   0.00006   2.10350
   A73        2.08542  -0.00001  -0.00001   0.00002   0.00001   2.08543
   A74        2.09685   0.00001   0.00001  -0.00003  -0.00001   2.09684
   A75        2.09750  -0.00001  -0.00004   0.00005   0.00001   2.09751
   A76        2.08873   0.00001   0.00003  -0.00003   0.00000   2.08872
   A77        2.09866   0.00000  -0.00001   0.00001   0.00000   2.09866
   A78        2.09045   0.00001   0.00001  -0.00003  -0.00002   2.09044
   A79        2.09406  -0.00001   0.00000   0.00002   0.00002   2.09408
   A80        2.08979   0.00000   0.00000   0.00001   0.00001   2.08980
   A81        2.09694  -0.00001  -0.00001   0.00002   0.00001   2.09695
   A82        2.09644   0.00001   0.00001  -0.00003  -0.00002   2.09642
   A83        2.09918   0.00000   0.00000   0.00000   0.00000   2.09918
   A84        2.09280   0.00000   0.00001  -0.00001   0.00000   2.09279
   A85        2.09120   0.00000  -0.00001   0.00002   0.00001   2.09121
   A86        2.09640   0.00000   0.00000  -0.00001  -0.00001   2.09640
   A87        2.09746   0.00000   0.00004  -0.00006  -0.00002   2.09744
   A88        2.08931  -0.00001  -0.00004   0.00007   0.00002   2.08933
   A89        1.94780  -0.00231  -0.00114   0.00021  -0.00093   1.94687
   A90        1.93249   0.00064  -0.00020   0.00048   0.00028   1.93277
   A91        1.90768   0.00073   0.00110  -0.00072   0.00038   1.90806
   A92        1.90014   0.00067  -0.00030   0.00077   0.00047   1.90062
   A93        1.93449   0.00082   0.00104  -0.00051   0.00053   1.93502
   A94        1.83831  -0.00040  -0.00046  -0.00025  -0.00071   1.83761
   A95        1.89223  -0.00021  -0.00182   0.00256   0.00074   1.89298
   A96        2.00685   0.00078  -0.00010   0.00090   0.00079   2.00764
   A97        1.93821  -0.00034   0.00024  -0.00021   0.00003   1.93824
   A98        1.78373   0.00016   0.00268  -0.00241   0.00027   1.78400
   A99        1.90382  -0.00002  -0.00021  -0.00107  -0.00127   1.90255
   A100       1.93045  -0.00036  -0.00069   0.00005  -0.00063   1.92982
   A101       1.92509  -0.00009  -0.00061   0.00073   0.00013   1.92522
   A102       1.95141   0.00000  -0.00137   0.00074  -0.00063   1.95078
   A103       1.88903  -0.00020  -0.00011  -0.00009  -0.00019   1.88885
   A104       1.90464   0.00016   0.00096  -0.00052   0.00044   1.90508
   A105       1.95050  -0.00014   0.00055   0.00023   0.00078   1.95129
   A106       1.91788   0.00003   0.00013  -0.00007   0.00006   1.91794
   A107       1.84692   0.00017  -0.00008  -0.00037  -0.00045   1.84647
   A108       1.94729   0.00006   0.00010  -0.00015  -0.00005   1.94724
   A109       1.92010  -0.00002  -0.00002   0.00028   0.00025   1.92035
   A110       1.91099   0.00005   0.00003   0.00018   0.00021   1.91120
   A111       1.92447  -0.00006  -0.00036  -0.00011  -0.00047   1.92400
   A112       1.92621  -0.00005   0.00014   0.00009   0.00023   1.92644
   A113       1.83136   0.00002   0.00011  -0.00028  -0.00017   1.83118
   A114       2.09399  -0.00011  -0.00005  -0.00017  -0.00021   2.09378
   A115       2.09977   0.00008   0.00002   0.00011   0.00013   2.09991
   A116       2.08942   0.00003   0.00002   0.00005   0.00008   2.08949
   A117       2.09471   0.00000   0.00001  -0.00003  -0.00002   2.09469
   A118       2.08913  -0.00001  -0.00010  -0.00005  -0.00015   2.08898
   A119       2.09932   0.00001   0.00009   0.00008   0.00017   2.09949
   A120       2.09843  -0.00003  -0.00001  -0.00001  -0.00002   2.09841
   A121       2.09120   0.00002   0.00005   0.00000   0.00005   2.09125
   A122       2.09355   0.00001  -0.00004   0.00001  -0.00003   2.09353
   A123       2.09111   0.00001   0.00001   0.00002   0.00002   2.09113
   A124       2.09575  -0.00001  -0.00007   0.00000  -0.00007   2.09568
   A125       2.09633   0.00000   0.00006  -0.00002   0.00005   2.09638
   A126       2.09855   0.00001   0.00000   0.00001   0.00000   2.09856
   A127       2.09333  -0.00001   0.00006  -0.00001   0.00005   2.09338
   A128       2.09130  -0.00001  -0.00006   0.00000  -0.00005   2.09125
   A129       2.09415  -0.00002  -0.00002  -0.00004  -0.00006   2.09408
   A130       2.09879   0.00000   0.00009   0.00003   0.00012   2.09891
   A131       2.09025   0.00003  -0.00007   0.00001  -0.00006   2.09019
   A132       2.06674  -0.00177  -0.00009   0.00073   0.00064   2.06738
   A133       1.97172   0.00067  -0.00011  -0.00041  -0.00052   1.97120
   A134       2.01876   0.00067   0.00003  -0.00042  -0.00039   2.01837
   A135       2.25010  -0.00036   0.00004   0.00024   0.00028   2.25038
   A136       1.90549   0.00092   0.00029  -0.00034  -0.00005   1.90544
   A137       2.12670  -0.00055  -0.00035   0.00009  -0.00026   2.12644
   A138       2.02419  -0.00234  -0.00052   0.00029  -0.00023   2.02396
   A139       1.92596  -0.00156  -0.00015  -0.00022  -0.00038   1.92558
   A140       1.75533   0.00068   0.00040   0.00003   0.00043   1.75576
   A141       1.88831   0.00051   0.00012  -0.00005   0.00007   1.88838
   A142       1.98296   0.00040  -0.00035   0.00017  -0.00017   1.98279
   A143       1.96838   0.00011   0.00000   0.00000   0.00000   1.96837
   A144       1.92944  -0.00010   0.00003   0.00006   0.00010   1.92953
   A145       2.27206   0.00078   0.00183  -0.00105   0.00079   2.27285
   A146       2.09659  -0.00088  -0.00147   0.00085  -0.00061   2.09598
   A147       1.91433   0.00010  -0.00033   0.00017  -0.00016   1.91417
   A148       2.01247  -0.00012   0.00038  -0.00013   0.00025   2.01272
   A149       2.21816   0.00010   0.00031  -0.00014   0.00017   2.21833
   A150       2.05244   0.00003  -0.00069   0.00028  -0.00041   2.05203
   A151       1.94592   0.00004  -0.00001  -0.00005  -0.00006   1.94586
   A152       1.98152   0.00002   0.00020  -0.00001   0.00019   1.98171
   A153       2.18155   0.00003   0.00031  -0.00028   0.00003   2.18158
   A154       2.11937  -0.00004  -0.00048   0.00028  -0.00020   2.11917
   A155       1.57023  -0.00003  -0.00023   0.00003  -0.00020   1.57003
   A156       1.96554   0.00024  -0.00009   0.00025   0.00016   1.96571
   A157       1.92469  -0.00002  -0.00005   0.00017   0.00012   1.92481
   A158       1.85665  -0.00006   0.00019  -0.00018   0.00001   1.85667
   A159       1.93181  -0.00033   0.00076  -0.00061   0.00015   1.93196
   A160       1.89140   0.00006  -0.00052   0.00048  -0.00004   1.89135
   A161       1.89047   0.00012  -0.00034  -0.00010  -0.00044   1.89003
   A162       1.95773   0.00009  -0.00022   0.00012  -0.00010   1.95763
   A163       1.96411  -0.00026   0.00019   0.00025   0.00044   1.96455
   A164       1.94338  -0.00010   0.00009   0.00008   0.00017   1.94355
   A165       1.85440   0.00013  -0.00007   0.00023   0.00016   1.85456
   A166       1.86837  -0.00002  -0.00088   0.00023  -0.00065   1.86772
   A167       1.86981   0.00019   0.00087  -0.00095  -0.00008   1.86974
   A168       1.93214   0.00000  -0.00011  -0.00018  -0.00029   1.93185
   A169       1.96461  -0.00016   0.00024  -0.00062  -0.00037   1.96424
   A170       1.96039   0.00004   0.00009   0.00011   0.00019   1.96058
   A171       1.85570   0.00003  -0.00023   0.00047   0.00024   1.85595
   A172       1.86136   0.00002   0.00024  -0.00009   0.00015   1.86151
   A173       1.88360   0.00007  -0.00025   0.00037   0.00012   1.88372
   A174       1.91610   0.00001   0.00004   0.00000   0.00005   1.91615
   A175       2.23794  -0.00003  -0.00019   0.00008  -0.00010   2.23783
   A176       2.12909   0.00002   0.00015  -0.00009   0.00006   2.12915
   A177       1.57924   0.00005   0.00005  -0.00008  -0.00003   1.57921
    D1        1.08264  -0.00001   0.00380  -0.00391  -0.00011   1.08253
    D2       -3.04943   0.00003   0.00397  -0.00405  -0.00008  -3.04951
    D3       -0.99690   0.00001   0.00391  -0.00396  -0.00005  -0.99694
    D4       -3.11476  -0.00001   0.00373  -0.00389  -0.00016  -3.11492
    D5       -0.96365   0.00003   0.00390  -0.00403  -0.00013  -0.96378
    D6        1.08888   0.00001   0.00384  -0.00394  -0.00010   1.08878
    D7       -1.00891  -0.00001   0.00364  -0.00377  -0.00013  -1.00904
    D8        1.14220   0.00002   0.00381  -0.00391  -0.00010   1.14210
    D9       -3.08845   0.00001   0.00375  -0.00381  -0.00007  -3.08852
   D10        1.00546  -0.00001  -0.00020  -0.00047  -0.00067   1.00479
   D11        3.11034  -0.00001   0.00000  -0.00063  -0.00063   3.10971
   D12       -1.08630  -0.00001  -0.00012  -0.00057  -0.00069  -1.08699
   D13       -1.14662   0.00000  -0.00005  -0.00067  -0.00072  -1.14734
   D14        0.95826   0.00001   0.00015  -0.00083  -0.00069   0.95758
   D15        3.04481   0.00000   0.00003  -0.00077  -0.00074   3.04406
   D16        3.08438  -0.00001  -0.00020  -0.00051  -0.00071   3.08367
   D17       -1.09392   0.00000  -0.00001  -0.00067  -0.00068  -1.09460
   D18        0.99262   0.00000  -0.00012  -0.00061  -0.00074   0.99189
   D19        2.07361   0.00000  -0.00395   0.00495   0.00099   2.07461
   D20       -1.07070   0.00000  -0.00320   0.00435   0.00115  -1.06955
   D21       -2.04323  -0.00002  -0.00398   0.00496   0.00099  -2.04225
   D22        1.09564  -0.00002  -0.00322   0.00437   0.00115   1.09679
   D23        0.01534  -0.00001  -0.00391   0.00487   0.00096   0.01630
   D24       -3.12897  -0.00001  -0.00315   0.00428   0.00112  -3.12785
   D25       -3.14012   0.00000   0.00040  -0.00059  -0.00019  -3.14031
   D26        0.00398   0.00001  -0.00029  -0.00004  -0.00033   0.00365
   D27        3.14143  -0.00001  -0.00051   0.00060   0.00009   3.14153
   D28       -0.00252  -0.00001   0.00015   0.00008   0.00023  -0.00228
   D29        3.13253   0.00000  -0.00023   0.00042   0.00019   3.13271
   D30       -0.00395   0.00001   0.00034  -0.00004   0.00030  -0.00365
   D31        1.85953   0.00007   0.02326  -0.02568  -0.00243   1.85710
   D32       -2.26336   0.00003   0.02422  -0.02660  -0.00238  -2.26574
   D33       -0.24651   0.00001   0.02327  -0.02564  -0.00238  -0.24888
   D34       -1.28786   0.00007   0.02259  -0.02515  -0.00256  -1.29042
   D35        0.87243   0.00003   0.02356  -0.02607  -0.00251   0.86993
   D36        2.88929   0.00001   0.02260  -0.02511  -0.00251   2.88678
   D37        0.00192  -0.00001  -0.00022   0.00010  -0.00011   0.00181
   D38       -3.12908   0.00001  -0.00154   0.00127  -0.00027  -3.12935
   D39       -3.13399  -0.00001   0.00043  -0.00042   0.00001  -3.13397
   D40        0.01820   0.00001  -0.00088   0.00074  -0.00014   0.01805
   D41       -1.23740  -0.00006   0.00176  -0.00385  -0.00209  -1.23949
   D42        1.26877   0.00001   0.00290  -0.00376  -0.00086   1.26791
   D43        2.88424  -0.00005   0.00133  -0.00360  -0.00227   2.88197
   D44       -0.89277   0.00003   0.00247  -0.00351  -0.00104  -0.89381
   D45        0.89272  -0.00007   0.00166  -0.00400  -0.00234   0.89038
   D46       -2.88430   0.00001   0.00280  -0.00391  -0.00111  -2.88541
   D47       -1.18434  -0.00001   0.00208  -0.00344  -0.00135  -1.18569
   D48        3.03022   0.00001   0.00243  -0.00370  -0.00126   3.02896
   D49        0.91832   0.00001   0.00268  -0.00402  -0.00134   0.91698
   D50        2.55324  -0.00003   0.00068  -0.00321  -0.00254   2.55070
   D51        0.48461  -0.00001   0.00103  -0.00347  -0.00245   0.48216
   D52       -1.62729  -0.00001   0.00127  -0.00380  -0.00253  -1.62982
   D53       -2.76332  -0.00013  -0.00185  -0.00013  -0.00198  -2.76530
   D54        0.42117  -0.00011  -0.00337   0.00071  -0.00266   0.41851
   D55       -0.26426  -0.00004  -0.00060  -0.00005  -0.00065  -0.26491
   D56        2.92023  -0.00002  -0.00212   0.00079  -0.00133   2.91890
   D57        2.83858  -0.00011   0.00025   0.00071   0.00097   2.83955
   D58        0.38310  -0.00008  -0.00022   0.00155   0.00132   0.38442
   D59       -0.26082  -0.00009  -0.00123   0.00152   0.00030  -0.26052
   D60       -2.71630  -0.00005  -0.00170   0.00235   0.00065  -2.71565
   D61       -1.43084  -0.00016   0.00410  -0.00605  -0.00196  -1.43279
   D62        2.71263   0.00016   0.00418  -0.00646  -0.00229   2.71034
   D63        0.65431   0.00003   0.00398  -0.00641  -0.00242   0.65189
   D64        1.05437  -0.00018   0.00459  -0.00692  -0.00233   1.05204
   D65       -1.08535   0.00013   0.00467  -0.00733  -0.00266  -1.08801
   D66        3.13952   0.00001   0.00447  -0.00727  -0.00280   3.13672
   D67       -0.57938   0.00004  -0.00291   0.00652   0.00361  -0.57576
   D68        2.58034   0.00047  -0.00339   0.00751   0.00411   2.58445
   D69        1.53783   0.00019  -0.00244   0.00631   0.00387   1.54171
   D70       -1.58563   0.00063  -0.00293   0.00730   0.00437  -1.58127
   D71       -2.63927  -0.00001  -0.00299   0.00669   0.00370  -2.63557
   D72        0.52045   0.00042  -0.00348   0.00767   0.00419   0.52464
   D73        1.20391   0.00011  -0.00691   0.00898   0.00207   1.20598
   D74       -2.91186  -0.00017  -0.00603   0.00851   0.00248  -2.90938
   D75       -0.86558  -0.00007  -0.00634   0.00837   0.00203  -0.86355
   D76       -0.92462   0.00025  -0.00755   0.00926   0.00171  -0.92292
   D77        1.24279  -0.00003  -0.00667   0.00878   0.00211   1.24490
   D78       -2.99411   0.00008  -0.00698   0.00865   0.00166  -2.99245
   D79       -3.03858   0.00029  -0.00678   0.00901   0.00223  -3.03635
   D80       -0.87117   0.00001  -0.00589   0.00853   0.00264  -0.86853
   D81        1.17512   0.00011  -0.00621   0.00839   0.00219   1.17730
   D82        3.12623  -0.00062  -0.00221   0.00267   0.00046   3.12669
   D83        0.02341  -0.00013   0.00235  -0.00835  -0.00599   0.01742
   D84        0.00235  -0.00019  -0.00268   0.00362   0.00093   0.00329
   D85       -3.10047   0.00030   0.00188  -0.00740  -0.00552  -3.10598
   D86        2.45892   0.00036   0.00637  -0.01227  -0.00590   2.45302
   D87       -1.65578   0.00096   0.00703  -0.01256  -0.00553  -1.66131
   D88        0.41355   0.00022   0.00655  -0.01272  -0.00617   0.40737
   D89       -0.71960  -0.00010   0.00201  -0.00176   0.00025  -0.71936
   D90        1.44888   0.00050   0.00267  -0.00205   0.00062   1.44950
   D91       -2.76498  -0.00024   0.00219  -0.00221  -0.00002  -2.76500
   D92        1.04500  -0.00036  -0.00106  -0.00037  -0.00143   1.04358
   D93       -1.10470  -0.00035  -0.00081  -0.00042  -0.00123  -1.10593
   D94       -3.07978  -0.00038  -0.00097  -0.00035  -0.00132  -3.08110
   D95       -1.10465   0.00029  -0.00115   0.00015  -0.00099  -1.10565
   D96        3.02883   0.00029  -0.00090   0.00011  -0.00080   3.02803
   D97        1.05374   0.00027  -0.00106   0.00017  -0.00089   1.05286
   D98        3.08589   0.00007  -0.00147   0.00041  -0.00106   3.08483
   D99        0.93619   0.00007  -0.00123   0.00037  -0.00086   0.93532
   D100      -1.03889   0.00005  -0.00138   0.00043  -0.00095  -1.03984
   D101       1.16437  -0.00045   0.00902  -0.01125  -0.00223   1.16214
   D102      -0.95529  -0.00016   0.01031  -0.01270  -0.00240  -0.95768
   D103      -2.97275  -0.00046   0.01033  -0.01225  -0.00193  -2.97468
   D104      -2.97599  -0.00004   0.00927  -0.01113  -0.00186  -2.97784
   D105       1.18754   0.00025   0.01056  -0.01259  -0.00202   1.18552
   D106      -0.82992  -0.00006   0.01059  -0.01214  -0.00155  -0.83147
   D107      -0.89175   0.00011   0.00967  -0.01140  -0.00173  -0.89348
   D108      -3.01141   0.00041   0.01096  -0.01285  -0.00189  -3.01330
   D109       1.25432   0.00010   0.01098  -0.01240  -0.00142   1.25290
   D110      -1.64154  -0.00001  -0.00319   0.00262  -0.00057  -1.64211
   D111       1.50897  -0.00001  -0.00352   0.00268  -0.00084   1.50813
   D112       0.49570  -0.00002  -0.00366   0.00271  -0.00095   0.49475
   D113      -2.63697  -0.00002  -0.00399   0.00277  -0.00122  -2.63819
   D114       2.49637  -0.00001  -0.00347   0.00272  -0.00075   2.49562
   D115      -0.63630  -0.00001  -0.00380   0.00277  -0.00103  -0.63733
   D116       3.14035   0.00000  -0.00011  -0.00002  -0.00013   3.14022
   D117      -0.01731   0.00000   0.00031  -0.00031  -0.00001  -0.01731
   D118      -0.01007   0.00000   0.00022  -0.00008   0.00014  -0.00993
   D119       3.11546   0.00001   0.00063  -0.00037   0.00026   3.11572
   D120      -3.14010   0.00000   0.00021  -0.00003   0.00018  -3.13992
   D121       0.00772   0.00001   0.00036   0.00003   0.00039   0.00812
   D122       0.01037   0.00000  -0.00012   0.00003  -0.00009   0.01028
   D123      -3.12499   0.00000   0.00003   0.00009   0.00012  -3.12487
   D124       0.00215   0.00000  -0.00016   0.00005  -0.00010   0.00205
   D125       3.13908  -0.00001  -0.00007  -0.00002  -0.00009   3.13899
   D126      -3.12345  -0.00001  -0.00057   0.00034  -0.00023  -3.12368
   D127       0.01347  -0.00001  -0.00048   0.00027  -0.00022   0.01326
   D128       0.00551   0.00000   0.00000   0.00002   0.00002   0.00553
   D129       3.14153   0.00000   0.00006  -0.00008  -0.00002   3.14151
   D130      -3.13140   0.00001  -0.00009   0.00010   0.00001  -3.13139
   D131       0.00461   0.00000  -0.00003   0.00000  -0.00003   0.00459
   D132      -0.00521   0.00000   0.00010  -0.00007   0.00002  -0.00519
   D133       3.13384   0.00000   0.00011  -0.00013  -0.00002   3.13382
   D134      -3.14123   0.00001   0.00003   0.00003   0.00006  -3.14117
   D135      -0.00218   0.00000   0.00005  -0.00003   0.00002  -0.00216
   D136      -0.00276   0.00000  -0.00004   0.00004   0.00001  -0.00275
   D137       3.13263  -0.00001  -0.00019  -0.00001  -0.00020   3.13243
   D138       3.14137   0.00000  -0.00005   0.00010   0.00006   3.14143
   D139      -0.00642   0.00000  -0.00020   0.00005  -0.00015  -0.00658
   D140      -1.82676   0.00037   0.00183  -0.00206  -0.00023  -1.82698
   D141       2.47314  -0.00014  -0.00024  -0.00125  -0.00150   2.47164
   D142       0.26459   0.00000   0.00058  -0.00188  -0.00130   0.26328
   D143       0.31154   0.00010   0.00063  -0.00079  -0.00016   0.31139
   D144      -1.67174  -0.00041  -0.00144   0.00001  -0.00142  -1.67317
   D145       2.40289  -0.00026  -0.00062  -0.00061  -0.00123   2.40166
   D146       2.32573   0.00046   0.00048  -0.00092  -0.00044   2.32529
   D147       0.34244  -0.00005  -0.00158  -0.00012  -0.00170   0.34073
   D148      -1.86612   0.00010  -0.00076  -0.00075  -0.00151  -1.86763
   D149       1.54582  -0.00062   0.02589  -0.05376  -0.02787   1.51795
   D150      -2.61097   0.00027   0.02632  -0.05281  -0.02648  -2.63745
   D151      -0.56689  -0.00007   0.02681  -0.05441  -0.02760  -0.59449
   D152      -1.01345   0.00008  -0.00919   0.01234   0.00315  -1.01029
   D153       3.11402   0.00041  -0.00891   0.01162   0.00271   3.11673
   D154       1.11190   0.00023  -0.00927   0.01238   0.00311   1.11501
   D155      -3.05925  -0.00015  -0.00864   0.01035   0.00171  -3.05755
   D156       1.06821   0.00018  -0.00836   0.00963   0.00126   1.06947
   D157      -0.93391   0.00000  -0.00872   0.01039   0.00167  -0.93224
   D158       1.19907  -0.00006  -0.00953   0.01282   0.00329   1.20237
   D159      -0.95665   0.00026  -0.00925   0.01210   0.00285  -0.95380
   D160      -2.95877   0.00009  -0.00961   0.01287   0.00326  -2.95551
   D161       2.95488   0.00025   0.00436  -0.00368   0.00069   2.95557
   D162      -1.18663   0.00020   0.00396  -0.00373   0.00023  -1.18640
   D163       0.81736   0.00024   0.00409  -0.00381   0.00028   0.81764
   D164      -1.20769  -0.00011   0.00365  -0.00309   0.00055  -1.20713
   D165       0.93399  -0.00016   0.00324  -0.00314   0.00010   0.93409
   D166       2.93797  -0.00013   0.00338  -0.00323   0.00015   2.93812
   D167       0.83717   0.00003   0.00397  -0.00346   0.00051   0.83768
   D168       2.97884  -0.00002   0.00357  -0.00351   0.00006   2.97890
   D169      -1.30035   0.00002   0.00370  -0.00359   0.00011  -1.30024
   D170       1.09715  -0.00033  -0.00134   0.00646   0.00512   1.10227
   D171      -1.34348  -0.00009  -0.00112   0.00679   0.00567  -1.33781
   D172      -1.05912  -0.00009   0.00010   0.00543   0.00553  -1.05359
   D173       2.78344   0.00015   0.00032   0.00576   0.00608   2.78951
   D174       3.13688  -0.00016  -0.00032   0.00562   0.00530  -3.14100
   D175       0.69625   0.00008  -0.00010   0.00595   0.00585   0.70210
   D176       1.66153  -0.00004  -0.00167   0.00043  -0.00123   1.66030
   D177      -1.48220  -0.00004  -0.00162   0.00046  -0.00116  -1.48336
   D178      -0.47763  -0.00001  -0.00146   0.00026  -0.00119  -0.47883
   D179       2.66182  -0.00001  -0.00141   0.00029  -0.00112   2.66070
   D180      -2.49288   0.00003  -0.00146   0.00061  -0.00084  -2.49373
   D181       0.64657   0.00004  -0.00141   0.00065  -0.00077   0.64580
   D182       3.13601   0.00001   0.00033  -0.00006   0.00027   3.13628
   D183      -0.01299   0.00000   0.00047  -0.00009   0.00038  -0.01261
   D184      -0.00346   0.00000   0.00028  -0.00009   0.00019  -0.00326
   D185       3.13073   0.00000   0.00042  -0.00012   0.00030   3.13103
   D186      -3.13580  -0.00001  -0.00026   0.00004  -0.00022  -3.13602
   D187       0.00621  -0.00001  -0.00031   0.00006  -0.00025   0.00597
   D188       0.00366   0.00000  -0.00021   0.00007  -0.00015   0.00351
   D189      -3.13751   0.00000  -0.00026   0.00009  -0.00017  -3.13768
   D190       0.00059   0.00000  -0.00014   0.00004  -0.00010   0.00049
   D191       3.14121   0.00000  -0.00014   0.00003  -0.00010   3.14111
   D192      -3.13355   0.00000  -0.00028   0.00007  -0.00021  -3.13376
   D193       0.00707   0.00000  -0.00028   0.00006  -0.00021   0.00686
   D194       0.00209   0.00000  -0.00007   0.00002  -0.00005   0.00204
   D195      -3.14032   0.00000  -0.00007   0.00002  -0.00005  -3.14037
   D196      -3.13853   0.00000  -0.00007   0.00003  -0.00004  -3.13857
   D197       0.00224   0.00000  -0.00008   0.00003  -0.00004   0.00220
   D198      -0.00189   0.00000   0.00014  -0.00004   0.00010  -0.00179
   D199       3.13959   0.00000   0.00016  -0.00006   0.00010   3.13969
   D200       3.14052   0.00000   0.00014  -0.00004   0.00010   3.14062
   D201      -0.00118   0.00000   0.00017  -0.00006   0.00011  -0.00108
   D202      -0.00099   0.00000   0.00000   0.00000   0.00000  -0.00099
   D203       3.14018   0.00000   0.00005  -0.00003   0.00002   3.14021
   D204       3.14072   0.00000  -0.00002   0.00002  -0.00001   3.14071
   D205      -0.00130   0.00000   0.00003  -0.00001   0.00002  -0.00128
   D206       0.59518  -0.00015  -0.00357   0.00073  -0.00284   0.59234
   D207      -2.59170   0.00031  -0.00409   0.00047  -0.00361  -2.59531
   D208       3.01753  -0.00043  -0.00385   0.00041  -0.00344   3.01409
   D209      -0.16935   0.00003  -0.00437   0.00016  -0.00421  -0.17356
   D210       3.10273  -0.00060  -0.00457   0.00357  -0.00100   3.10173
   D211      -0.08034  -0.00018  -0.00503   0.00334  -0.00169  -0.08203
   D212      -1.15277   0.00044   0.00051  -0.00078  -0.00027  -1.15304
   D213       3.03155   0.00030   0.00076  -0.00090  -0.00014   3.03141
   D214       1.00828  -0.00009   0.00049  -0.00096  -0.00047   1.00781
   D215      -2.05836  -0.00018   0.00235  -0.00204   0.00031  -2.05804
   D216       1.05893  -0.00027   0.00460  -0.00347   0.00113   1.06005
   D217      -0.10237  -0.00008   0.00255  -0.00204   0.00051  -0.10186
   D218       3.01492  -0.00017   0.00480  -0.00347   0.00132   3.01624
   D219       2.11080   0.00021   0.00230  -0.00181   0.00049   2.11129
   D220      -1.05510   0.00012   0.00455  -0.00324   0.00131  -1.05380
   D221       3.13259  -0.00014   0.00207  -0.00169   0.00038   3.13297
   D222      -0.02530   0.00006   0.00287  -0.00158   0.00128  -0.02402
   D223       0.01333  -0.00005   0.00002  -0.00038  -0.00036   0.01296
   D224       3.13862   0.00016   0.00082  -0.00028   0.00054   3.13916
   D225      -3.14116   0.00019  -0.00149   0.00144  -0.00005  -3.14121
   D226      -0.01929   0.00013   0.00036   0.00026   0.00062  -0.01867
   D227       0.00334  -0.00010  -0.00056   0.00032  -0.00023   0.00311
   D228      -3.12358  -0.00029  -0.00129   0.00024  -0.00105  -3.12463
   D229      -0.01873   0.00021   0.00083  -0.00010   0.00072  -0.01801
   D230      -3.11926   0.00004   0.00013   0.00026   0.00039  -3.11887
   D231       0.02238  -0.00020  -0.00071  -0.00009  -0.00079   0.02159
   D232       3.12455  -0.00004  -0.00001  -0.00045  -0.00047   3.12408
   D233      -0.94070  -0.00010  -0.01061   0.01381   0.00320  -0.93750
   D234       1.14931  -0.00006  -0.01072   0.01437   0.00365   1.15297
   D235      -3.03416  -0.00006  -0.00940   0.01338   0.00398  -3.03018
   D236      -3.10418   0.00000  -0.01105   0.01385   0.00281  -3.10138
   D237      -1.01417   0.00004  -0.01116   0.01442   0.00326  -1.01091
   D238       1.08554   0.00004  -0.00984   0.01343   0.00359   1.08913
   D239       1.10833   0.00001  -0.01076   0.01404   0.00328   1.11161
   D240      -3.08484   0.00005  -0.01087   0.01461   0.00373  -3.08110
   D241      -0.98513   0.00004  -0.00956   0.01362   0.00406  -0.98107
   D242       2.98933  -0.00002  -0.00381  -0.00112  -0.00493   2.98440
   D243      -1.21965  -0.00008  -0.00401  -0.00105  -0.00506  -1.22471
   D244       0.91074  -0.00008  -0.00410  -0.00095  -0.00504   0.90569
   D245      -1.10713   0.00003  -0.00342  -0.00110  -0.00452  -1.11165
   D246       0.96708  -0.00003  -0.00362  -0.00104  -0.00465   0.96242
   D247       3.09746  -0.00003  -0.00370  -0.00093  -0.00464   3.09283
   D248       0.96410  -0.00001  -0.00382  -0.00094  -0.00476   0.95935
   D249       3.03831  -0.00007  -0.00402  -0.00087  -0.00489   3.03342
   D250      -1.11449  -0.00007  -0.00410  -0.00077  -0.00487  -1.11936
   D251       0.00026   0.00001   0.00004  -0.00010  -0.00006   0.00020
   D252       3.13204  -0.00001   0.00126  -0.00118   0.00008   3.13212
         Item               Value     Threshold  Converged?
 Maximum Force            0.002343     0.000450     NO 
 RMS     Force            0.000270     0.000300     YES
 Maximum Displacement     0.051913     0.001800     NO 
 RMS     Displacement     0.008494     0.001200     NO 
 Predicted change in Energy=-8.615797D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.860988   -1.905082    0.905999
      2          6           0       -9.342617   -0.870943   -0.097874
      3          6           0      -10.045885    0.480425    0.062152
      4          6           0       -7.861804   -0.705735    0.040333
      5          7           0       -6.958512   -0.942496   -0.879703
      6          6           0       -5.639523   -0.684414   -0.421210
      7          6           0       -4.508113   -0.928652   -1.380148
      8          7           0       -3.905957    0.321145   -1.912245
      9          6           0       -4.782745    1.051666   -2.869573
     10          6           0       -3.090810    1.146954   -1.093990
     11          8           0       -2.903087    2.331765   -1.348283
     12          7           0       -2.444161    0.534629    0.021938
     13          6           0       -1.313747    1.288703    0.611186
     14          6           0       -0.024273    1.041201   -0.200894
     15          8           0        0.224322   -0.022751   -0.761224
     16          7           0        0.869748    2.101330   -0.246357
     17          6           0        2.164411    2.002770   -0.975749
     18          6           0        2.456844    3.334510   -1.702760
     19          6           0        2.554885    4.529616   -0.795833
     20          6           0        1.425210    5.331166   -0.566564
     21          6           0        1.512377    6.441693    0.277058
     22          6           0        2.724530    6.762799    0.895652
     23          6           0        3.853671    5.971408    0.661882
     24          6           0        3.772654    4.859929   -0.181058
     25          6           0        3.297107    1.603929   -0.007359
     26          6           0        3.104934    0.181453    0.527854
     27          8           0        2.636932    0.265317    1.891823
     28          6           0        4.414705   -0.648395    0.679193
     29          6           0        5.169118   -0.771371   -0.654606
     30          6           0        6.545855   -1.343438   -0.460195
     31          6           0        6.762385   -2.720254   -0.624250
     32          6           0        8.042113   -3.251901   -0.450150
     33          6           0        9.111939   -2.416307   -0.111509
     34          6           0        8.897043   -1.044892    0.055223
     35          6           0        7.618610   -0.506585   -0.117297
     36          7           0        4.057089   -1.989381    1.241519
     37          6           0        3.233110   -2.828979    0.487813
     38          8           0        3.170202   -2.955438   -0.725040
     39          8           0        2.468663   -3.608017    1.346049
     40          6           0        1.508776   -4.511214    0.708296
     41          6           0        0.457220   -3.738392    0.019712
     42          6           0       -0.893999   -3.696639    0.235624
     43          7           0       -1.613271   -2.828808   -0.610928
     44          6           0       -0.815030   -2.216994   -1.468018
     45         16           0        0.880536   -2.642810   -1.275931
     46          6           0       -1.136786    0.864324    2.098623
     47          6           0       -0.626684   -0.569479    2.244492
     48          6           0       -0.210660    1.844388    2.823569
     49          6           0       -5.546895   -0.240681    0.866905
     50         16           0       -7.132519   -0.130338    1.566090
     51          1           0      -10.928371   -2.100679    0.748864
     52          1           0       -9.333950   -2.862195    0.803362
     53          1           0       -9.743032   -1.574545    1.944691
     54          1           0       -9.548537   -1.255525   -1.137905
     55          1           0       -9.937304    0.889623    1.073622
     56          1           0       -9.647518    1.225479   -0.637984
     57          1           0      -11.120301    0.387163   -0.135204
     58          1           0       -3.719005   -1.557706   -0.894038
     59          1           0       -4.867120   -1.531404   -2.253444
     60          1           0       -4.879243    0.449364   -3.787640
     61          1           0       -4.328901    2.024700   -3.137833
     62          1           0       -5.790256    1.241400   -2.464024
     63          1           0       -2.300386   -0.485542    0.002999
     64          1           0       -1.583640    2.386016    0.572132
     65          1           0        0.685725    2.976634    0.240858
     66          1           0        2.054072    1.195874   -1.758136
     67          1           0        1.664673    3.502572   -2.466851
     68          1           0        3.391750    3.222735   -2.291120
     69          1           0        0.480006    5.099087   -1.057189
     70          1           0        0.632577    7.061025    0.448845
     71          1           0        2.790626    7.627931    1.552189
     72          1           0        4.801194    6.223247    1.136615
     73          1           0        4.658683    4.255730   -0.363207
     74          1           0        3.346975    2.308000    0.851360
     75          1           0        4.272913    1.703079   -0.523606
     76          1           0        2.351659   -0.379829   -0.082507
     77          1           0        1.644338    0.339784    1.912580
     78          1           0        5.074259   -0.159925    1.448244
     79          1           0        4.584957   -1.403399   -1.368001
     80          1           0        5.229691    0.226015   -1.139728
     81          1           0        5.926143   -3.371861   -0.881115
     82          1           0        8.206385   -4.320637   -0.577778
     83          1           0       10.107550   -2.832802    0.022318
     84          1           0        9.727470   -0.393170    0.320404
     85          1           0        7.460131    0.560360    0.015502
     86          1           0        3.859814   -1.961348    2.252944
     87          1           0        1.140677   -5.074020    1.590879
     88          1           0        2.066514   -5.181941    0.023761
     89          1           0       -1.457086   -4.263147    0.969197
     90          1           0       -1.135444   -1.487133   -2.205780
     91          1           0       -2.154195    0.927407    2.569026
     92          1           0       -1.251618   -1.289100    1.698839
     93          1           0        0.398643   -0.695293    1.857683
     94          1           0       -0.616630   -0.884856    3.294631
     95          1           0       -0.206887    1.647653    3.903962
     96          1           0        0.835194    1.761946    2.490152
     97          1           0       -0.524361    2.885878    2.695214
     98          1           0       -4.659535    0.026274    1.418348
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0824009      0.0287339      0.0232699
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3658.4219423125 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258392239205     A.U. after   14 cycles
             Convg  =    0.6900D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004614    0.000011629    0.000009751
      2        6          -0.000025345    0.000015389   -0.000048694
      3        6          -0.000009208   -0.000008637    0.000038909
      4        6           0.000123137   -0.000173390    0.000241561
      5        7          -0.000247703   -0.000068137   -0.000018312
      6        6          -0.000065159    0.000032027   -0.000069273
      7        6          -0.000036947   -0.000093400   -0.000114179
      8        7           0.000147517   -0.000051002    0.000206234
      9        6           0.000016831    0.000087073    0.000005774
     10        6          -0.000095630   -0.000082225    0.000278882
     11        8          -0.000074426    0.000065188    0.000110679
     12        7          -0.000124438   -0.000232660   -0.000347047
     13        6           0.000113063    0.000075367   -0.000091909
     14        6           0.000051011    0.000461510    0.000099659
     15        8           0.000132216   -0.000033216    0.000009546
     16        7          -0.000070375   -0.000297615    0.000062066
     17        6           0.000278917   -0.000047504   -0.000292259
     18        6          -0.000066232    0.000215673   -0.000026483
     19        6          -0.000058760   -0.000077908    0.000045332
     20        6           0.000062918   -0.000063534   -0.000018574
     21        6           0.000031965    0.000051494   -0.000000422
     22        6          -0.000048814   -0.000025946    0.000023080
     23        6           0.000016144   -0.000045273    0.000000954
     24        6           0.000000465    0.000053211    0.000004442
     25        6          -0.000083543   -0.000266841    0.000009670
     26        6          -0.000110057   -0.000195827    0.000114943
     27        8           0.000199576    0.000338348    0.000156218
     28        6           0.000282595    0.000178028   -0.000058779
     29        6           0.000133106    0.000104366    0.000058901
     30        6          -0.000094790   -0.000031413   -0.000035150
     31        6           0.000054875    0.000019343   -0.000027349
     32        6          -0.000073017    0.000000734    0.000024250
     33        6           0.000004221    0.000048698    0.000013686
     34        6           0.000061232   -0.000011609   -0.000021605
     35        6          -0.000047415   -0.000035407    0.000005390
     36        7          -0.000251043   -0.000022343    0.000195848
     37        6           0.000016542    0.000242664   -0.000769737
     38        8           0.000267611   -0.000256368    0.000241831
     39        8           0.000201896    0.000232867    0.000508086
     40        6          -0.000421640   -0.000427438    0.000103583
     41        6           0.000432334   -0.000109286   -0.000040746
     42        6          -0.000329345    0.000247275    0.000057610
     43        7          -0.000134413    0.000207755   -0.000511859
     44        6           0.000229575   -0.000334994    0.000315763
     45       16          -0.000237804   -0.000001464    0.000137979
     46        6          -0.000155354    0.000157247    0.000011337
     47        6          -0.000568857   -0.000383408   -0.000063630
     48        6           0.000157416   -0.000045944    0.000017663
     49        6           0.000245096   -0.000009073    0.000117676
     50       16          -0.000170825    0.000155902   -0.000231141
     51        1          -0.000016359    0.000015453   -0.000009942
     52        1          -0.000001798   -0.000020058    0.000010142
     53        1           0.000005013   -0.000014101   -0.000000364
     54        1           0.000013343   -0.000011098   -0.000034002
     55        1           0.000016363    0.000002655   -0.000001472
     56        1          -0.000007626   -0.000000380   -0.000010457
     57        1           0.000024924    0.000008372    0.000003280
     58        1          -0.000018062    0.000031226   -0.000003207
     59        1           0.000032138    0.000146374   -0.000019667
     60        1          -0.000028035   -0.000009556   -0.000028526
     61        1           0.000017402   -0.000013022   -0.000059177
     62        1          -0.000026839   -0.000015034    0.000014624
     63        1           0.000019782   -0.000023348   -0.000005130
     64        1          -0.000063217    0.000157216    0.000045270
     65        1          -0.000044805    0.000023579    0.000020232
     66        1          -0.000096898    0.000161861    0.000101823
     67        1          -0.000001781   -0.000005975   -0.000019103
     68        1           0.000014507   -0.000027414   -0.000008817
     69        1           0.000002387    0.000014066    0.000005341
     70        1          -0.000004358   -0.000008105   -0.000012892
     71        1           0.000012095   -0.000002780   -0.000006527
     72        1           0.000003368    0.000006583    0.000001516
     73        1           0.000008825   -0.000009271   -0.000005889
     74        1          -0.000018791    0.000102117   -0.000055225
     75        1           0.000088566   -0.000069920   -0.000003892
     76        1           0.000015726    0.000124840    0.000056238
     77        1           0.000008618   -0.000181853   -0.000150732
     78        1           0.000062070   -0.000038133    0.000090063
     79        1           0.000030203    0.000101673   -0.000020233
     80        1          -0.000101009   -0.000040140   -0.000003482
     81        1           0.000010480    0.000009081    0.000010836
     82        1           0.000002537   -0.000005455   -0.000001780
     83        1          -0.000005290   -0.000000653    0.000006740
     84        1          -0.000001440    0.000004271   -0.000000605
     85        1           0.000009960    0.000023458    0.000003735
     86        1           0.000021203   -0.000052904   -0.000009787
     87        1          -0.000050374    0.000083819   -0.000250632
     88        1          -0.000020710    0.000147348   -0.000044641
     89        1           0.000102175   -0.000244722    0.000071921
     90        1           0.000005115   -0.000049210   -0.000070635
     91        1           0.000098233    0.000108120    0.000096708
     92        1           0.000083155    0.000125487    0.000066269
     93        1           0.000341370   -0.000126037   -0.000085758
     94        1           0.000110569   -0.000012171   -0.000141856
     95        1           0.000004150   -0.000044947    0.000093788
     96        1          -0.000285150    0.000077500    0.000025661
     97        1          -0.000030656   -0.000008699   -0.000075267
     98        1          -0.000004813   -0.000010037   -0.000024645
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000769737 RMS     0.000141962

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002343462 RMS     0.000260448
 Search for a local minimum.
 Step number  68 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   61   62   63   64   65
                                                     66   67   68
 DE= -2.33D-05 DEPred=-8.62D-06 R= 2.70D+00
 SS=  1.41D+00  RLast= 5.85D-02 DXNew= 1.2520D+00 1.7539D-01
 Trust test= 2.70D+00 RLast= 5.85D-02 DXMaxT set to 7.44D-01
     Eigenvalues ---    0.00004   0.00158   0.00170   0.00217   0.00267
     Eigenvalues ---    0.00336   0.00376   0.00442   0.00557   0.00602
     Eigenvalues ---    0.00664   0.00735   0.00809   0.00858   0.00895
     Eigenvalues ---    0.00983   0.00989   0.01101   0.01184   0.01292
     Eigenvalues ---    0.01304   0.01387   0.01424   0.01449   0.01531
     Eigenvalues ---    0.01578   0.01644   0.01695   0.01748   0.01759
     Eigenvalues ---    0.01927   0.02078   0.02091   0.02113   0.02194
     Eigenvalues ---    0.02203   0.02221   0.02254   0.02258   0.02269
     Eigenvalues ---    0.02290   0.02330   0.02373   0.02404   0.02409
     Eigenvalues ---    0.02415   0.02447   0.02482   0.02485   0.02522
     Eigenvalues ---    0.02527   0.02528   0.02595   0.02671   0.02705
     Eigenvalues ---    0.02862   0.02988   0.03359   0.03752   0.03921
     Eigenvalues ---    0.04014   0.04128   0.04175   0.04307   0.04433
     Eigenvalues ---    0.04590   0.04739   0.04941   0.04972   0.05080
     Eigenvalues ---    0.05143   0.05200   0.05246   0.05362   0.05389
     Eigenvalues ---    0.05449   0.05513   0.05526   0.05587   0.05624
     Eigenvalues ---    0.05659   0.05720   0.05835   0.05857   0.05868
     Eigenvalues ---    0.05972   0.06024   0.06098   0.06116   0.06284
     Eigenvalues ---    0.06507   0.06756   0.06896   0.07056   0.07082
     Eigenvalues ---    0.07527   0.08086   0.08321   0.08593   0.08798
     Eigenvalues ---    0.09304   0.09678   0.09888   0.10325   0.11368
     Eigenvalues ---    0.12123   0.12896   0.13132   0.13311   0.13467
     Eigenvalues ---    0.13801   0.14132   0.14433   0.15504   0.15696
     Eigenvalues ---    0.15768   0.15854   0.15962   0.15977   0.15980
     Eigenvalues ---    0.15982   0.15993   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16008   0.16015   0.16023
     Eigenvalues ---    0.16036   0.16071   0.16095   0.16106   0.16140
     Eigenvalues ---    0.16234   0.16359   0.16688   0.16882   0.17243
     Eigenvalues ---    0.17689   0.17978   0.18122   0.18784   0.18914
     Eigenvalues ---    0.19709   0.19914   0.20182   0.20833   0.21723
     Eigenvalues ---    0.21859   0.22000   0.22001   0.22003   0.22033
     Eigenvalues ---    0.22172   0.22339   0.22596   0.23062   0.23438
     Eigenvalues ---    0.23481   0.23584   0.23683   0.23815   0.24184
     Eigenvalues ---    0.24335   0.24729   0.24820   0.24996   0.25071
     Eigenvalues ---    0.25137   0.25252   0.25667   0.26208   0.26896
     Eigenvalues ---    0.27832   0.29322   0.29685   0.29846   0.29910
     Eigenvalues ---    0.30044   0.30163   0.30276   0.30470   0.30637
     Eigenvalues ---    0.30732   0.30852   0.31312   0.31404   0.31427
     Eigenvalues ---    0.31480   0.31500   0.31661   0.31712   0.31814
     Eigenvalues ---    0.31959   0.32086   0.32294   0.32324   0.32577
     Eigenvalues ---    0.32602   0.32674   0.32715   0.32813   0.32885
     Eigenvalues ---    0.32924   0.33001   0.33062   0.33140   0.33159
     Eigenvalues ---    0.33199   0.33373   0.33476   0.33550   0.33673
     Eigenvalues ---    0.33718   0.33774   0.33845   0.33939   0.33969
     Eigenvalues ---    0.34049   0.34204   0.34238   0.34317   0.34360
     Eigenvalues ---    0.34478   0.34509   0.34549   0.34716   0.35344
     Eigenvalues ---    0.35843   0.36247   0.36312   0.36374   0.36521
     Eigenvalues ---    0.36632   0.36837   0.36959   0.37176   0.37270
     Eigenvalues ---    0.38505   0.38649   0.39381   0.40181   0.40935
     Eigenvalues ---    0.41422   0.41707   0.42503   0.42547   0.43280
     Eigenvalues ---    0.43369   0.43987   0.44708   0.45188   0.45384
     Eigenvalues ---    0.46293   0.47482   0.47783   0.48369   0.48470
     Eigenvalues ---    0.48620   0.49004   0.49269   0.49584   0.50252
     Eigenvalues ---    0.50792   0.51206   0.51275   0.51434   0.55776
     Eigenvalues ---    0.56445   0.58758   0.59482   0.62761   0.63346
     Eigenvalues ---    0.65057   0.69391   0.77756   0.80216   0.86357
     Eigenvalues ---    1.29197   1.99118   5.164891000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 Eigenvalue     1 is   4.24D-05 Eigenvector:
                         D151      D149      D150       D32       D31
   1                    0.42476   0.41858   0.41101   0.14846   0.14637
                          D35       D33       D34       D36      D240
   1                    0.14560   0.14390   0.14352   0.14105  -0.11730
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    68   67   66   65   64
 RFO step:  Lambda=-2.79558832D-05.
 DIIS coeffs:      3.15743     -4.00338      0.00000      6.38151     -4.53555
 Maximum step size (   0.744) exceeded in Quadratic search.
    -- Step size scaled by   0.579
 Iteration  1 RMS(Cart)=  0.09070465 RMS(Int)=  0.00992928
 Iteration  2 RMS(Cart)=  0.01228486 RMS(Int)=  0.00061871
 Iteration  3 RMS(Cart)=  0.00064276 RMS(Int)=  0.00006134
 Iteration  4 RMS(Cart)=  0.00000178 RMS(Int)=  0.00006133
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00006133
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89438   0.00001   0.00005  -0.00016  -0.00012   2.89426
    R2        2.07204  -0.00001  -0.00006   0.00006   0.00000   2.07203
    R3        2.07386  -0.00001   0.00000  -0.00002  -0.00002   2.07383
    R4        2.07186   0.00001   0.00002   0.00003   0.00005   2.07191
    R5        2.89467   0.00001   0.00001   0.00031   0.00032   2.89499
    R6        2.82778   0.00000   0.00012  -0.00013   0.00000   2.82778
    R7        2.13127   0.00001  -0.00005  -0.00011  -0.00016   2.13111
    R8        2.07208   0.00000  -0.00001   0.00002   0.00001   2.07208
    R9        2.07353   0.00001  -0.00002  -0.00006  -0.00008   2.07345
   R10        2.07183   0.00003  -0.00001  -0.00019  -0.00020   2.07163
   R11        2.47724   0.00012   0.00019  -0.00069  -0.00050   2.47674
   R12        3.37562  -0.00020  -0.00027   0.00188   0.00161   3.37723
   R13        2.68351  -0.00017  -0.00007   0.00017   0.00010   2.68361
   R14        2.84044  -0.00010   0.00074  -0.00030   0.00044   2.84089
   R15        2.58051   0.00004   0.00029  -0.00026   0.00003   2.58055
   R16        2.80783  -0.00014  -0.00008   0.00091   0.00083   2.80866
   R17        2.11675   0.00001   0.00026  -0.00035  -0.00009   2.11666
   R18        2.11687   0.00014   0.00020  -0.00092  -0.00072   2.11615
   R19        2.81493   0.00005  -0.00018   0.00029   0.00011   2.81504
   R20        2.68312   0.00001  -0.00017  -0.00123  -0.00140   2.68172
   R21        2.08293   0.00001  -0.00004   0.00016   0.00012   2.08304
   R22        2.09132   0.00005   0.00005  -0.00031  -0.00027   2.09105
   R23        2.08346  -0.00002  -0.00010   0.00045   0.00035   2.08381
   R24        2.31727  -0.00013   0.00010   0.00080   0.00090   2.31817
   R25        2.69801  -0.00040  -0.00038   0.00301   0.00263   2.70064
   R26        2.79889  -0.00037  -0.00013   0.00160   0.00146   2.80035
   R27        1.94722  -0.00003  -0.00033  -0.00123  -0.00156   1.94566
   R28        2.91746  -0.00046  -0.00005  -0.00049  -0.00055   2.91691
   R29        2.94208   0.00001   0.00001   0.00023   0.00024   2.94232
   R30        2.13670  -0.00016  -0.00004   0.00155   0.00151   2.13821
   R31        2.32041  -0.00010   0.00026  -0.00348  -0.00323   2.31719
   R32        2.62203   0.00010   0.00016   0.00485   0.00501   2.62704
   R33        2.81428  -0.00033   0.00007   0.00059   0.00067   2.81495
   R34        1.92474  -0.00004   0.00008  -0.00010  -0.00002   1.92472
   R35        2.91997  -0.00002  -0.00051   0.00036  -0.00015   2.91982
   R36        2.91524  -0.00004   0.00036  -0.00142  -0.00106   2.91418
   R37        2.13412   0.00016   0.00005   0.00009   0.00014   2.13426
   R38        2.84114   0.00011  -0.00002  -0.00046  -0.00049   2.84065
   R39        2.10398   0.00001  -0.00005   0.00014   0.00009   2.10407
   R40        2.09812  -0.00001   0.00003  -0.00002   0.00001   2.09813
   R41        2.65317   0.00007   0.00004  -0.00025  -0.00021   2.65296
   R42        2.65237  -0.00001  -0.00002   0.00033   0.00031   2.65268
   R43        2.64060  -0.00002  -0.00001   0.00029   0.00028   2.64088
   R44        2.05970   0.00001   0.00001   0.00006   0.00007   2.05978
   R45        2.64230   0.00004   0.00006  -0.00032  -0.00026   2.64203
   R46        2.05896   0.00000   0.00001   0.00010   0.00011   2.05907
   R47        2.64285  -0.00001   0.00000   0.00023   0.00023   2.64308
   R48        2.05613   0.00001   0.00000   0.00000   0.00000   2.05613
   R49        2.64055   0.00004   0.00007  -0.00034  -0.00027   2.64028
   R50        2.05850  -0.00001   0.00000   0.00010   0.00010   2.05860
   R51        2.05562  -0.00001   0.00001   0.00021   0.00021   2.05583
   R52        2.89493   0.00013  -0.00007   0.00012   0.00005   2.89498
   R53        2.10057  -0.00011   0.00009  -0.00021  -0.00012   2.10045
   R54        2.09456  -0.00007  -0.00036   0.00206   0.00169   2.09626
   R55        2.72964   0.00003  -0.00031  -0.00017  -0.00049   2.72915
   R56        2.94400  -0.00016   0.00049  -0.00006   0.00043   2.94444
   R57        2.11700   0.00011   0.00012  -0.00052  -0.00039   2.11661
   R58        1.88141  -0.00005   0.00013  -0.00244  -0.00231   1.87911
   R59        2.90507   0.00007  -0.00008  -0.00156  -0.00164   2.90343
   R60        2.82976  -0.00024   0.00034   0.00009   0.00043   2.83019
   R61        2.12546   0.00004  -0.00003   0.00146   0.00143   2.12689
   R62        2.84117   0.00007   0.00013  -0.00014  -0.00001   2.84116
   R63        2.11247   0.00011   0.00009   0.00036   0.00045   2.11292
   R64        2.09903   0.00000  -0.00015   0.00104   0.00090   2.09993
   R65        2.65197   0.00002   0.00002  -0.00001   0.00001   2.65198
   R66        2.65149  -0.00001   0.00004  -0.00040  -0.00036   2.65112
   R67        2.63931   0.00004   0.00004  -0.00045  -0.00041   2.63890
   R68        2.06134   0.00001   0.00011   0.00085   0.00096   2.06229
   R69        2.64388  -0.00002   0.00004   0.00032   0.00036   2.64424
   R70        2.05752  -0.00001   0.00001   0.00009   0.00010   2.05762
   R71        2.64208   0.00005   0.00003  -0.00034  -0.00031   2.64177
   R72        2.05504   0.00001  -0.00001  -0.00007  -0.00007   2.05497
   R73        2.64151  -0.00003   0.00004   0.00043   0.00047   2.64199
   R74        2.05683   0.00000   0.00000  -0.00004  -0.00004   2.05679
   R75        2.05375  -0.00001   0.00000  -0.00001  -0.00002   2.05373
   R76        2.64017  -0.00021   0.00047   0.00028   0.00075   2.64092
   R77        1.94805   0.00002   0.00036   0.00294   0.00331   1.95136
   R78        2.30745  -0.00038  -0.00005   0.00057   0.00051   2.30796
   R79        2.62383   0.00007   0.00056  -0.00037   0.00020   2.62402
   R80        2.76693  -0.00060  -0.00050  -0.00086  -0.00136   2.76557
   R81        2.78834   0.00005   0.00009  -0.00094  -0.00084   2.78749
   R82        2.09683  -0.00025   0.00054   0.00352   0.00405   2.10088
   R83        2.09541   0.00012   0.00022  -0.00040  -0.00017   2.09524
   R84        2.58703  -0.00016  -0.00049  -0.00128  -0.00177   2.58526
   R85        3.30469  -0.00011   0.00122   0.00484   0.00606   3.31076
   R86        2.66387   0.00030   0.00039   0.00077   0.00116   2.66502
   R87        2.04940   0.00005   0.00019   0.00043   0.00062   2.05002
   R88        2.49709  -0.00024  -0.00019  -0.00034  -0.00053   2.49656
   R89        3.32353  -0.00003   0.00036   0.00041   0.00077   3.32431
   R90        2.05247   0.00007   0.00019  -0.00006   0.00013   2.05260
   R91        2.88904  -0.00033   0.00042  -0.00129  -0.00088   2.88817
   R92        2.89306   0.00006   0.00015   0.00081   0.00095   2.89401
   R93        2.12153   0.00013  -0.00009  -0.00056  -0.00065   2.12088
   R94        2.07537   0.00014   0.00031  -0.00060  -0.00029   2.07509
   R95        2.08449  -0.00030  -0.00052  -0.00338  -0.00389   2.08059
   R96        2.07212  -0.00013  -0.00018  -0.00012  -0.00030   2.07183
   R97        2.07523   0.00010  -0.00004   0.00046   0.00042   2.07566
   R98        2.08022   0.00026   0.00027   0.00171   0.00197   2.08220
   R99        2.06973   0.00003   0.00004   0.00061   0.00065   2.07039
   R100       3.28140  -0.00017  -0.00019   0.00081   0.00062   3.28203
   R101       2.03772   0.00000   0.00004  -0.00066  -0.00062   2.03710
    A1        1.93476  -0.00001  -0.00003   0.00005   0.00001   1.93477
    A2        1.94445   0.00001   0.00005   0.00015   0.00020   1.94466
    A3        1.96164  -0.00001  -0.00002   0.00074   0.00073   1.96237
    A4        1.87394   0.00000  -0.00008  -0.00018  -0.00026   1.87368
    A5        1.86950   0.00001   0.00012  -0.00069  -0.00056   1.86893
    A6        1.87535   0.00000  -0.00005  -0.00015  -0.00020   1.87515
    A7        1.95175  -0.00003  -0.00009   0.00009   0.00000   1.95174
    A8        1.92722  -0.00003  -0.00020   0.00139   0.00119   1.92842
    A9        1.88849   0.00003   0.00007  -0.00043  -0.00037   1.88813
   A10        1.92547   0.00005   0.00038  -0.00124  -0.00086   1.92461
   A11        1.88951  -0.00001  -0.00013   0.00012  -0.00002   1.88949
   A12        1.87916  -0.00001  -0.00003   0.00007   0.00004   1.87920
   A13        1.96074   0.00002   0.00015  -0.00038  -0.00024   1.96050
   A14        1.94517  -0.00001   0.00001   0.00009   0.00010   1.94527
   A15        1.93486   0.00000  -0.00011   0.00009  -0.00002   1.93484
   A16        1.87470   0.00000   0.00008  -0.00016  -0.00009   1.87461
   A17        1.87008  -0.00001  -0.00006   0.00044   0.00038   1.87046
   A18        1.87411   0.00000  -0.00007  -0.00006  -0.00012   1.87399
   A19        2.21071  -0.00004  -0.00012   0.00143   0.00131   2.21202
   A20        2.11585   0.00010   0.00017  -0.00165  -0.00149   2.11437
   A21        1.95662  -0.00006  -0.00004   0.00022   0.00018   1.95680
   A22        1.96124   0.00003   0.00012  -0.00012   0.00000   1.96124
   A23        2.05289  -0.00011  -0.00059   0.00301   0.00243   2.05532
   A24        2.01155  -0.00004  -0.00024   0.00042   0.00019   2.01174
   A25        2.21873   0.00015   0.00082  -0.00342  -0.00261   2.21613
   A26        1.97887  -0.00008   0.00102  -0.00137  -0.00035   1.97852
   A27        1.92267   0.00004  -0.00019   0.00276   0.00257   1.92524
   A28        1.92150  -0.00002  -0.00048  -0.00170  -0.00218   1.91931
   A29        1.92015  -0.00001   0.00013  -0.00208  -0.00195   1.91820
   A30        1.87895   0.00009  -0.00025   0.00009  -0.00016   1.87879
   A31        1.83581  -0.00002  -0.00034   0.00251   0.00217   1.83798
   A32        1.98681   0.00001   0.00059   0.00113   0.00172   1.98853
   A33        2.11240  -0.00005   0.00091  -0.00125  -0.00034   2.11206
   A34        2.00762   0.00007   0.00007   0.00088   0.00095   2.00857
   A35        1.89531   0.00000   0.00012  -0.00110  -0.00098   1.89433
   A36        1.92367   0.00006  -0.00015   0.00159   0.00144   1.92511
   A37        1.96696  -0.00004  -0.00013  -0.00018  -0.00031   1.96665
   A38        1.89068  -0.00004  -0.00014  -0.00003  -0.00018   1.89050
   A39        1.89696   0.00003   0.00040  -0.00118  -0.00078   1.89618
   A40        1.88874  -0.00001  -0.00009   0.00087   0.00078   1.88952
   A41        2.12980   0.00008  -0.00040   0.00083   0.00043   2.13023
   A42        2.04995  -0.00006   0.00034   0.00047   0.00081   2.05076
   A43        2.10266  -0.00003   0.00013  -0.00126  -0.00113   2.10153
   A44        2.02449   0.00018   0.00036  -0.00295  -0.00260   2.02189
   A45        2.06399  -0.00006   0.00049  -0.00147  -0.00099   2.06301
   A46        1.98765  -0.00012   0.00017  -0.00036  -0.00020   1.98745
   A47        1.92472  -0.00016   0.00010   0.00052   0.00062   1.92534
   A48        1.90505   0.00036  -0.00007  -0.00011  -0.00018   1.90488
   A49        1.87358   0.00000   0.00029  -0.00007   0.00022   1.87380
   A50        1.94326  -0.00035  -0.00006   0.00104   0.00098   1.94424
   A51        1.91429   0.00023  -0.00045  -0.00205  -0.00249   1.91180
   A52        1.90146  -0.00006   0.00019   0.00063   0.00083   1.90228
   A53        2.15081  -0.00017  -0.00010   0.00596   0.00583   2.15665
   A54        2.01852   0.00013   0.00009  -0.00406  -0.00399   2.01452
   A55        2.11370   0.00003   0.00004  -0.00212  -0.00210   2.11160
   A56        2.12424  -0.00073  -0.00023  -0.00179  -0.00283   2.12141
   A57        2.12295   0.00037   0.00020   0.00316   0.00255   2.12550
   A58        2.03557   0.00035   0.00015   0.00064  -0.00002   2.03555
   A59        1.91551   0.00050  -0.00002   0.00432   0.00431   1.91982
   A60        1.92620  -0.00102  -0.00031  -0.00548  -0.00579   1.92041
   A61        1.87722   0.00012  -0.00015   0.00108   0.00093   1.87816
   A62        1.95975   0.00068   0.00045   0.00162   0.00208   1.96183
   A63        1.88423  -0.00017   0.00015  -0.00102  -0.00087   1.88336
   A64        1.89853  -0.00012  -0.00015  -0.00050  -0.00065   1.89789
   A65        1.99722  -0.00008  -0.00048   0.00047  -0.00001   1.99722
   A66        1.89477   0.00004  -0.00027  -0.00109  -0.00136   1.89342
   A67        1.89856   0.00004   0.00037   0.00029   0.00066   1.89922
   A68        1.91813   0.00001   0.00008   0.00020   0.00027   1.91840
   A69        1.92280   0.00001   0.00016   0.00013   0.00029   1.92309
   A70        1.82414  -0.00001   0.00021  -0.00007   0.00014   1.82427
   A71        2.09422   0.00000  -0.00016   0.00008  -0.00008   2.09414
   A72        2.10350   0.00001   0.00016  -0.00016  -0.00001   2.10349
   A73        2.08543  -0.00002   0.00001   0.00009   0.00010   2.08553
   A74        2.09684   0.00001   0.00001  -0.00012  -0.00011   2.09674
   A75        2.09751  -0.00001  -0.00005   0.00036   0.00031   2.09782
   A76        2.08872   0.00000   0.00005  -0.00025  -0.00021   2.08852
   A77        2.09866   0.00000  -0.00001   0.00003   0.00002   2.09868
   A78        2.09044   0.00001   0.00002  -0.00025  -0.00023   2.09021
   A79        2.09408  -0.00001  -0.00001   0.00021   0.00021   2.09429
   A80        2.08980   0.00000   0.00001   0.00005   0.00006   2.08987
   A81        2.09695  -0.00001  -0.00003   0.00026   0.00023   2.09719
   A82        2.09642   0.00001   0.00002  -0.00032  -0.00030   2.09612
   A83        2.09918   0.00000  -0.00001  -0.00001  -0.00002   2.09916
   A84        2.09279   0.00000   0.00001  -0.00010  -0.00009   2.09270
   A85        2.09121   0.00000   0.00000   0.00012   0.00011   2.09132
   A86        2.09640   0.00001  -0.00001  -0.00004  -0.00005   2.09635
   A87        2.09744   0.00000   0.00004  -0.00031  -0.00027   2.09717
   A88        2.08933  -0.00001  -0.00004   0.00035   0.00032   2.08964
   A89        1.94687  -0.00198  -0.00130  -0.00013  -0.00143   1.94544
   A90        1.93277   0.00061  -0.00010   0.00312   0.00301   1.93578
   A91        1.90806   0.00055   0.00076  -0.00167  -0.00091   1.90715
   A92        1.90062   0.00052   0.00033   0.00312   0.00345   1.90407
   A93        1.93502   0.00075   0.00079   0.00010   0.00088   1.93590
   A94        1.83761  -0.00033  -0.00041  -0.00473  -0.00513   1.83247
   A95        1.89298  -0.00013  -0.00134   0.01346   0.01214   1.90511
   A96        2.00764   0.00086   0.00036   0.00561   0.00598   2.01363
   A97        1.93824  -0.00037  -0.00004   0.00122   0.00120   1.93943
   A98        1.78400  -0.00003   0.00302  -0.01400  -0.01103   1.77296
   A99        1.90255   0.00006  -0.00124  -0.00562  -0.00693   1.89563
   A100       1.92982  -0.00038  -0.00066  -0.00196  -0.00267   1.92714
   A101       1.92522  -0.00003  -0.00100   0.00610   0.00510   1.93032
   A102       1.95078   0.00006  -0.00128   0.00080  -0.00047   1.95031
   A103       1.88885  -0.00034   0.00051  -0.00402  -0.00352   1.88533
   A104       1.90508   0.00019   0.00093  -0.00071   0.00021   1.90529
   A105       1.95129  -0.00009  -0.00015   0.00809   0.00794   1.95923
   A106       1.91794  -0.00001   0.00044  -0.00185  -0.00140   1.91654
   A107       1.84647   0.00020  -0.00037  -0.00266  -0.00303   1.84344
   A108       1.94724   0.00007   0.00010  -0.00119  -0.00109   1.94615
   A109       1.92035  -0.00003  -0.00020   0.00300   0.00281   1.92316
   A110       1.91120   0.00004   0.00035   0.00001   0.00036   1.91155
   A111       1.92400  -0.00004  -0.00045  -0.00158  -0.00203   1.92197
   A112       1.92644  -0.00006   0.00021   0.00155   0.00176   1.92820
   A113       1.83118   0.00002  -0.00001  -0.00177  -0.00178   1.82940
   A114       2.09378  -0.00009  -0.00017  -0.00098  -0.00115   2.09263
   A115       2.09991   0.00007   0.00013   0.00055   0.00067   2.10058
   A116       2.08949   0.00002   0.00004   0.00044   0.00047   2.08997
   A117       2.09469   0.00000   0.00001  -0.00017  -0.00017   2.09453
   A118       2.08898   0.00000  -0.00008  -0.00091  -0.00099   2.08799
   A119       2.09949   0.00000   0.00008   0.00109   0.00116   2.10065
   A120       2.09841  -0.00003  -0.00003  -0.00002  -0.00005   2.09836
   A121       2.09125   0.00001   0.00005   0.00020   0.00025   2.09150
   A122       2.09353   0.00001  -0.00002  -0.00018  -0.00020   2.09333
   A123       2.09113   0.00001   0.00002   0.00010   0.00012   2.09125
   A124       2.09568  -0.00001  -0.00006  -0.00034  -0.00041   2.09527
   A125       2.09638   0.00000   0.00004   0.00024   0.00028   2.09666
   A126       2.09856   0.00002   0.00001  -0.00004  -0.00003   2.09853
   A127       2.09338  -0.00001   0.00003   0.00033   0.00036   2.09373
   A128       2.09125  -0.00001  -0.00004  -0.00029  -0.00033   2.09092
   A129       2.09408  -0.00002  -0.00004  -0.00030  -0.00035   2.09374
   A130       2.09891  -0.00001   0.00005   0.00079   0.00084   2.09975
   A131       2.09019   0.00003  -0.00001  -0.00049  -0.00049   2.08970
   A132       2.06738  -0.00193   0.00005   0.00544   0.00548   2.07286
   A133       1.97120   0.00073  -0.00003  -0.00575  -0.00578   1.96542
   A134       2.01837   0.00069   0.00012  -0.00445  -0.00434   2.01402
   A135       2.25038  -0.00034   0.00012   0.00237   0.00248   2.25287
   A136       1.90544   0.00086   0.00013  -0.00091  -0.00079   1.90465
   A137       2.12644  -0.00050  -0.00026  -0.00174  -0.00201   2.12444
   A138       2.02396  -0.00234  -0.00066   0.00109   0.00043   2.02438
   A139       1.92558  -0.00162  -0.00071   0.00029  -0.00042   1.92515
   A140       1.75576   0.00066   0.00083  -0.00066   0.00017   1.75592
   A141       1.88838   0.00054   0.00019  -0.00058  -0.00039   1.88799
   A142       1.98279   0.00041  -0.00020  -0.00105  -0.00125   1.98153
   A143       1.96837   0.00015   0.00000   0.00063   0.00063   1.96901
   A144       1.92953  -0.00011  -0.00002   0.00123   0.00121   1.93074
   A145       2.27285   0.00073   0.00113   0.00148   0.00261   2.27546
   A146       2.09598  -0.00083  -0.00092  -0.00061  -0.00154   2.09444
   A147       1.91417   0.00011  -0.00020  -0.00083  -0.00103   1.91314
   A148       2.01272  -0.00016   0.00027   0.00121   0.00148   2.01420
   A149       2.21833   0.00010   0.00022   0.00032   0.00053   2.21886
   A150       2.05203   0.00006  -0.00047  -0.00154  -0.00201   2.05002
   A151       1.94586   0.00006  -0.00001  -0.00056  -0.00056   1.94529
   A152       1.98171   0.00000   0.00011   0.00110   0.00121   1.98292
   A153       2.18158   0.00004   0.00010  -0.00046  -0.00036   2.18122
   A154       2.11917  -0.00003  -0.00019  -0.00072  -0.00091   2.11826
   A155       1.57003   0.00000  -0.00017  -0.00088  -0.00105   1.56897
   A156       1.96571   0.00019  -0.00004   0.00087   0.00082   1.96653
   A157       1.92481   0.00002   0.00008   0.00132   0.00140   1.92621
   A158       1.85667  -0.00006  -0.00021   0.00059   0.00038   1.85705
   A159       1.93196  -0.00035   0.00124  -0.00364  -0.00240   1.92956
   A160       1.89135   0.00008  -0.00076   0.00338   0.00261   1.89397
   A161       1.89003   0.00013  -0.00041  -0.00243  -0.00283   1.88720
   A162       1.95763   0.00009  -0.00039   0.00114   0.00074   1.95837
   A163       1.96455  -0.00029   0.00046   0.00242   0.00287   1.96742
   A164       1.94355  -0.00013   0.00001   0.00192   0.00193   1.94547
   A165       1.85456   0.00014  -0.00026   0.00238   0.00211   1.85667
   A166       1.86772   0.00001  -0.00081  -0.00266  -0.00346   1.86426
   A167       1.86974   0.00020   0.00098  -0.00572  -0.00474   1.86500
   A168       1.93185   0.00003  -0.00022  -0.00188  -0.00211   1.92974
   A169       1.96424  -0.00016   0.00017  -0.00379  -0.00362   1.96062
   A170       1.96058   0.00005   0.00019   0.00139   0.00158   1.96216
   A171       1.85595   0.00002  -0.00031   0.00327   0.00296   1.85890
   A172       1.86151   0.00001   0.00024  -0.00016   0.00008   1.86159
   A173       1.88372   0.00006  -0.00009   0.00152   0.00143   1.88514
   A174       1.91615   0.00000   0.00009   0.00008   0.00017   1.91632
   A175       2.23783  -0.00002  -0.00006  -0.00035  -0.00040   2.23743
   A176       2.12915   0.00001  -0.00002   0.00024   0.00022   2.12937
   A177       1.57921   0.00006   0.00007  -0.00060  -0.00053   1.57868
    D1        1.08253   0.00000   0.00168  -0.00839  -0.00671   1.07582
    D2       -3.04951   0.00003   0.00196  -0.00892  -0.00696  -3.05647
    D3       -0.99694   0.00001   0.00186  -0.00831  -0.00645  -1.00340
    D4       -3.11492   0.00000   0.00160  -0.00849  -0.00690  -3.12182
    D5       -0.96378   0.00003   0.00187  -0.00902  -0.00714  -0.97092
    D6        1.08878   0.00001   0.00177  -0.00841  -0.00664   1.08215
    D7       -1.00904  -0.00001   0.00156  -0.00805  -0.00649  -1.01554
    D8        1.14210   0.00002   0.00184  -0.00858  -0.00674   1.13536
    D9       -3.08852   0.00001   0.00173  -0.00797  -0.00624  -3.09476
   D10        1.00479  -0.00001  -0.00068  -0.00181  -0.00249   1.00230
   D11        3.10971  -0.00001  -0.00047  -0.00223  -0.00270   3.10701
   D12       -1.08699  -0.00001  -0.00063  -0.00218  -0.00281  -1.08979
   D13       -1.14734   0.00000  -0.00063  -0.00277  -0.00341  -1.15075
   D14        0.95758   0.00001  -0.00043  -0.00319  -0.00361   0.95396
   D15        3.04406   0.00001  -0.00058  -0.00314  -0.00372   3.04034
   D16        3.08367   0.00000  -0.00074  -0.00222  -0.00296   3.08071
   D17       -1.09460   0.00000  -0.00053  -0.00264  -0.00316  -1.09776
   D18        0.99189   0.00000  -0.00068  -0.00259  -0.00327   0.98862
   D19        2.07461   0.00000  -0.00349   0.01979   0.01631   2.09091
   D20       -1.06955  -0.00001  -0.00157   0.01789   0.01632  -1.05323
   D21       -2.04225  -0.00002  -0.00348   0.02001   0.01653  -2.02571
   D22        1.09679  -0.00002  -0.00156   0.01810   0.01654   1.11333
   D23        0.01630  -0.00001  -0.00344   0.01950   0.01606   0.03236
   D24       -3.12785  -0.00002  -0.00153   0.01759   0.01607  -3.11178
   D25       -3.14031   0.00001   0.00056  -0.00263  -0.00206   3.14082
   D26        0.00365   0.00001  -0.00120  -0.00086  -0.00207   0.00158
   D27        3.14153  -0.00001  -0.00057   0.00259   0.00201  -3.13965
   D28       -0.00228  -0.00002   0.00109   0.00094   0.00202  -0.00026
   D29        3.13271   0.00000  -0.00018   0.00310   0.00293   3.13564
   D30       -0.00365   0.00000   0.00074   0.00030   0.00104  -0.00261
   D31        1.85710   0.00006   0.01651  -0.10984  -0.09332   1.76378
   D32       -2.26574   0.00002   0.01728  -0.11145  -0.09417  -2.35991
   D33       -0.24888   0.00002   0.01648  -0.10779  -0.09131  -0.34020
   D34       -1.29042   0.00006   0.01547  -0.10665  -0.09118  -1.38159
   D35        0.86993   0.00003   0.01624  -0.10826  -0.09202   0.77791
   D36        2.88678   0.00002   0.01543  -0.10460  -0.08917   2.79761
   D37        0.00181  -0.00001   0.00010   0.00042   0.00052   0.00233
   D38       -3.12935   0.00002  -0.00148   0.00340   0.00192  -3.12743
   D39       -3.13397  -0.00001   0.00113  -0.00272  -0.00159  -3.13556
   D40        0.01805   0.00001  -0.00046   0.00027  -0.00019   0.01787
   D41       -1.23949  -0.00004  -0.00050  -0.01780  -0.01830  -1.25779
   D42        1.26791   0.00003   0.00201  -0.01619  -0.01419   1.25372
   D43        2.88197  -0.00003  -0.00109  -0.01883  -0.01992   2.86205
   D44       -0.89381   0.00004   0.00141  -0.01722  -0.01581  -0.90962
   D45        0.89038  -0.00006  -0.00062  -0.02078  -0.02140   0.86898
   D46       -2.88541   0.00002   0.00189  -0.01918  -0.01729  -2.90269
   D47       -1.18569   0.00000   0.00248  -0.02623  -0.02375  -1.20944
   D48        3.02896   0.00001   0.00267  -0.02646  -0.02379   3.00516
   D49        0.91698   0.00001   0.00297  -0.02858  -0.02561   0.89137
   D50        2.55070  -0.00003  -0.00018  -0.02693  -0.02710   2.52360
   D51        0.48216  -0.00002   0.00001  -0.02715  -0.02714   0.45502
   D52       -1.62982  -0.00002   0.00032  -0.02927  -0.02895  -1.65877
   D53       -2.76530  -0.00011  -0.00203  -0.00266  -0.00469  -2.77000
   D54        0.41851  -0.00005  -0.00418  -0.00353  -0.00771   0.41080
   D55       -0.26491  -0.00005   0.00068  -0.00096  -0.00028  -0.26519
   D56        2.91890   0.00001  -0.00147  -0.00183  -0.00330   2.91560
   D57        2.83955  -0.00012   0.00019   0.00992   0.01010   2.84965
   D58        0.38442  -0.00008  -0.00133   0.01692   0.01558   0.40000
   D59       -0.26052  -0.00006  -0.00191   0.00901   0.00710  -0.25342
   D60       -2.71565  -0.00002  -0.00343   0.01601   0.01258  -2.70307
   D61       -1.43279  -0.00015   0.00167  -0.02629  -0.02462  -1.45741
   D62        2.71034   0.00015   0.00172  -0.02786  -0.02614   2.68420
   D63        0.65189   0.00003   0.00136  -0.02851  -0.02715   0.62474
   D64        1.05204  -0.00017   0.00324  -0.03336  -0.03012   1.02192
   D65       -1.08801   0.00013   0.00329  -0.03493  -0.03163  -1.11965
   D66        3.13672   0.00001   0.00294  -0.03558  -0.03264   3.10408
   D67       -0.57576   0.00005   0.00072   0.03414   0.03485  -0.54091
   D68        2.58445   0.00044  -0.00076   0.04759   0.04684   2.63129
   D69        1.54171   0.00016   0.00067   0.03505   0.03571   1.57742
   D70       -1.58127   0.00056  -0.00081   0.04851   0.04771  -1.53356
   D71       -2.63557   0.00000   0.00057   0.03516   0.03572  -2.59985
   D72        0.52464   0.00040  -0.00090   0.04861   0.04772   0.57236
   D73        1.20598   0.00011  -0.00649   0.05070   0.04421   1.25020
   D74       -2.90938  -0.00019  -0.00484   0.04757   0.04273  -2.86665
   D75       -0.86355  -0.00007  -0.00540   0.04572   0.04032  -0.82324
   D76       -0.92292   0.00029  -0.00653   0.04944   0.04290  -0.88001
   D77        1.24490  -0.00001  -0.00488   0.04631   0.04143   1.28633
   D78       -2.99245   0.00012  -0.00545   0.04445   0.03901  -2.95345
   D79       -3.03635   0.00027  -0.00606   0.05091   0.04484  -2.99151
   D80       -0.86853  -0.00003  -0.00441   0.04778   0.04336  -0.82517
   D81        1.17730   0.00010  -0.00498   0.04592   0.04095   1.21825
   D82        3.12669  -0.00053  -0.00184   0.01035   0.00856   3.13525
   D83        0.01742  -0.00011   0.00036  -0.06631  -0.06597  -0.04855
   D84        0.00329  -0.00014  -0.00328   0.02339   0.02013   0.02341
   D85       -3.10598   0.00028  -0.00108  -0.05327  -0.05440   3.12280
   D86        2.45302   0.00032   0.00352  -0.07368  -0.07013   2.38289
   D87       -1.66131   0.00083   0.00386  -0.07238  -0.06849  -1.72980
   D88        0.40737   0.00018   0.00343  -0.07542  -0.07196   0.33542
   D89       -0.71936  -0.00008   0.00144  -0.00062   0.00079  -0.71857
   D90        1.44950   0.00043   0.00179   0.00068   0.00243   1.45193
   D91       -2.76500  -0.00022   0.00135  -0.00236  -0.00104  -2.76604
   D92        1.04358  -0.00026  -0.00168  -0.00689  -0.00857   1.03501
   D93       -1.10593  -0.00026  -0.00124  -0.00664  -0.00788  -1.11382
   D94       -3.08110  -0.00028  -0.00154  -0.00615  -0.00769  -3.08879
   D95       -1.10565   0.00021  -0.00159  -0.00411  -0.00570  -1.11135
   D96        3.02803   0.00021  -0.00115  -0.00386  -0.00501   3.02301
   D97        1.05286   0.00019  -0.00144  -0.00337  -0.00482   1.04804
   D98        3.08483   0.00006  -0.00178  -0.00381  -0.00559   3.07924
   D99        0.93532   0.00006  -0.00134  -0.00356  -0.00491   0.93042
   D100      -1.03984   0.00004  -0.00164  -0.00307  -0.00471  -1.04455
   D101       1.16214  -0.00046   0.00569  -0.05128  -0.04558   1.11656
   D102      -0.95768  -0.00019   0.00624  -0.05733  -0.05109  -1.00878
   D103      -2.97468  -0.00046   0.00635  -0.05240  -0.04605  -3.02073
   D104      -2.97784  -0.00007   0.00576  -0.04853  -0.04277  -3.02061
   D105       1.18552   0.00020   0.00631  -0.05459  -0.04828   1.13724
   D106      -0.83147  -0.00007   0.00642  -0.04966  -0.04324  -0.87471
   D107      -0.89348   0.00006   0.00613  -0.04912  -0.04299  -0.93646
   D108      -3.01330   0.00033   0.00668  -0.05518  -0.04850  -3.06180
   D109       1.25290   0.00006   0.00679  -0.05025  -0.04346   1.20944
   D110      -1.64211  -0.00001  -0.00155   0.00289   0.00134  -1.64077
   D111       1.50813  -0.00001  -0.00204   0.00231   0.00027   1.50840
   D112       0.49475   0.00000  -0.00219   0.00195  -0.00024   0.49452
   D113      -2.63819   0.00000  -0.00268   0.00137  -0.00131  -2.63950
   D114       2.49562  -0.00001  -0.00181   0.00205   0.00025   2.49586
   D115      -0.63733  -0.00001  -0.00230   0.00147  -0.00083  -0.63815
   D116       3.14022   0.00000  -0.00021  -0.00061  -0.00083   3.13939
   D117      -0.01731   0.00000   0.00019  -0.00114  -0.00096  -0.01827
   D118      -0.00993   0.00000   0.00028  -0.00004   0.00024  -0.00970
   D119       3.11572   0.00000   0.00067  -0.00057   0.00010   3.11582
   D120      -3.13992   0.00000   0.00026   0.00067   0.00093  -3.13899
   D121       0.00812   0.00000   0.00044   0.00169   0.00214   0.01025
   D122       0.01028   0.00000  -0.00023   0.00009  -0.00014   0.01014
   D123      -3.12487   0.00000  -0.00004   0.00111   0.00107  -3.12380
   D124       0.00205   0.00000  -0.00015  -0.00011  -0.00026   0.00179
   D125       3.13899  -0.00001  -0.00007  -0.00022  -0.00029   3.13870
   D126      -3.12368   0.00000  -0.00054   0.00041  -0.00013  -3.12381
   D127       0.01326  -0.00001  -0.00046   0.00031  -0.00016   0.01310
   D128       0.00553   0.00000  -0.00003   0.00022   0.00019   0.00572
   D129       3.14151   0.00000   0.00003  -0.00019  -0.00016   3.14135
   D130      -3.13139   0.00001  -0.00010   0.00032   0.00022  -3.13118
   D131       0.00459   0.00000  -0.00005  -0.00009  -0.00013   0.00445
   D132      -0.00519   0.00000   0.00007  -0.00017  -0.00010  -0.00528
   D133       3.13382   0.00000   0.00009  -0.00050  -0.00041   3.13340
   D134      -3.14117   0.00001   0.00001   0.00024   0.00025  -3.14092
   D135      -0.00216   0.00000   0.00003  -0.00009  -0.00007  -0.00223
   D136      -0.00275   0.00000   0.00006   0.00002   0.00007  -0.00267
   D137       3.13243   0.00000  -0.00013  -0.00101  -0.00114   3.13130
   D138       3.14143   0.00000   0.00004   0.00035   0.00039  -3.14136
   D139      -0.00658   0.00000  -0.00014  -0.00068  -0.00082  -0.00739
   D140      -1.82698   0.00018   0.00461  -0.03068  -0.02606  -1.85305
   D141       2.47164  -0.00019   0.00154  -0.02532  -0.02380   2.44784
   D142       0.26328  -0.00006   0.00219  -0.02831  -0.02612   0.23716
   D143       0.31139   0.00000   0.00384  -0.02469  -0.02083   0.29055
   D144      -1.67317  -0.00037   0.00077  -0.01934  -0.01858  -1.69174
   D145       2.40166  -0.00023   0.00143  -0.02233  -0.02090   2.38076
   D146       2.32529   0.00032   0.00399  -0.02852  -0.02452   2.30077
   D147       0.34073  -0.00004   0.00091  -0.02317  -0.02227   0.31847
   D148      -1.86763   0.00009   0.00157  -0.02616  -0.02458  -1.89221
   D149       1.51795  -0.00061   0.01149  -0.33372  -0.32221   1.19574
   D150      -2.63745   0.00031   0.01288  -0.32842  -0.31559  -2.95304
   D151      -0.59449  -0.00011   0.01310  -0.33996  -0.32682  -0.92131
   D152      -1.01029   0.00007  -0.00647   0.05630   0.04982  -0.96047
   D153       3.11673   0.00038  -0.00580   0.04836   0.04255  -3.12390
   D154       1.11501   0.00022  -0.00612   0.05401   0.04789   1.16290
   D155      -3.05755  -0.00018  -0.00695   0.04628   0.03936  -3.01819
   D156       1.06947   0.00013  -0.00627   0.03834   0.03209   1.10156
   D157      -0.93224  -0.00002  -0.00659   0.04399   0.03742  -0.89482
   D158       1.20237  -0.00007  -0.00681   0.06088   0.05406   1.25643
   D159      -0.95380   0.00024  -0.00614   0.05294   0.04679  -0.90700
   D160      -2.95551   0.00009  -0.00645   0.05859   0.05212  -2.90338
   D161       2.95557   0.00029   0.00335  -0.01197  -0.00863   2.94694
   D162      -1.18640   0.00027   0.00270  -0.01270  -0.01000  -1.19640
   D163       0.81764   0.00030   0.00278  -0.01314  -0.01037   0.80727
   D164      -1.20713  -0.00016   0.00299  -0.01082  -0.00783  -1.21496
   D165       0.93409  -0.00019   0.00234  -0.01154  -0.00920   0.92489
   D166       2.93812  -0.00016   0.00242  -0.01199  -0.00957   2.92855
   D167       0.83768   0.00002   0.00272  -0.01034  -0.00762   0.83007
   D168       2.97890  -0.00001   0.00207  -0.01106  -0.00899   2.96992
   D169      -1.30024   0.00002   0.00215  -0.01151  -0.00936  -1.30960
   D170       1.10227  -0.00043  -0.00001   0.05084   0.05083   1.15310
   D171      -1.33781  -0.00010  -0.00022   0.05918   0.05895  -1.27886
   D172      -1.05359  -0.00020   0.00135   0.04729   0.04864  -1.00495
   D173       2.78951   0.00012   0.00113   0.05563   0.05676   2.84628
   D174      -3.14100  -0.00026   0.00112   0.04671   0.04784  -3.09316
   D175       0.70210   0.00006   0.00091   0.05505   0.05596   0.75807
   D176       1.66030  -0.00003  -0.00164  -0.00392  -0.00556   1.65474
   D177      -1.48336  -0.00003  -0.00154  -0.00375  -0.00528  -1.48864
   D178      -0.47883  -0.00001  -0.00114  -0.00582  -0.00696  -0.48579
   D179       2.66070   0.00000  -0.00103  -0.00565  -0.00668   2.65402
   D180      -2.49373   0.00003  -0.00098  -0.00364  -0.00462  -2.49835
   D181       0.64580   0.00003  -0.00088  -0.00347  -0.00435   0.64146
   D182       3.13628   0.00000   0.00031   0.00103   0.00134   3.13762
   D183      -0.01261   0.00000   0.00031   0.00206   0.00237  -0.01024
   D184      -0.00326   0.00000   0.00021   0.00086   0.00107  -0.00219
   D185       3.13103   0.00000   0.00021   0.00189   0.00210   3.13313
   D186      -3.13602   0.00000  -0.00025  -0.00087  -0.00112  -3.13714
   D187       0.00597   0.00000  -0.00029  -0.00081  -0.00110   0.00487
   D188       0.00351   0.00000  -0.00014  -0.00070  -0.00084   0.00267
   D189      -3.13768   0.00000  -0.00019  -0.00064  -0.00083  -3.13851
   D190       0.00049   0.00000  -0.00012  -0.00040  -0.00052  -0.00003
   D191       3.14111   0.00000  -0.00014  -0.00036  -0.00050   3.14061
   D192      -3.13376   0.00001  -0.00012  -0.00143  -0.00154  -3.13530
   D193       0.00686   0.00000  -0.00014  -0.00139  -0.00153   0.00533
   D194       0.00204   0.00000  -0.00003  -0.00023  -0.00026   0.00178
   D195      -3.14037   0.00000  -0.00005  -0.00017  -0.00023  -3.14060
   D196      -3.13857   0.00000  -0.00002  -0.00027  -0.00028  -3.13886
   D197       0.00220   0.00000  -0.00004  -0.00021  -0.00025   0.00195
   D198      -0.00179   0.00000   0.00010   0.00040   0.00049  -0.00130
   D199       3.13969   0.00000   0.00010   0.00037   0.00046   3.14016
   D200       3.14062   0.00000   0.00012   0.00034   0.00046   3.14108
   D201      -0.00108   0.00000   0.00012   0.00031   0.00043  -0.00065
   D202      -0.00099   0.00000  -0.00001   0.00007   0.00006  -0.00093
   D203       3.14021   0.00000   0.00003   0.00001   0.00005   3.14026
   D204       3.14071   0.00000  -0.00001   0.00010   0.00009   3.14080
   D205      -0.00128   0.00000   0.00003   0.00004   0.00008  -0.00120
   D206       0.59234  -0.00014  -0.00404  -0.00242  -0.00646   0.58588
   D207      -2.59531   0.00043  -0.00438  -0.00953  -0.01391  -2.60922
   D208       3.01409  -0.00050  -0.00388  -0.01133  -0.01521   2.99889
   D209      -0.17356   0.00007  -0.00421  -0.01845  -0.02266  -0.19622
   D210       3.10173  -0.00079  -0.00366   0.00945   0.00578   3.10751
   D211      -0.08203  -0.00027  -0.00396   0.00306  -0.00088  -0.08291
   D212      -1.15304   0.00039   0.00004  -0.00315  -0.00311  -1.15615
   D213       3.03141   0.00027   0.00013  -0.00171  -0.00158   3.02984
   D214       1.00781  -0.00011  -0.00029  -0.00257  -0.00286   1.00496
   D215      -2.05804  -0.00013   0.00243  -0.01157  -0.00913  -2.06718
   D216       1.06005  -0.00026   0.00290  -0.00911  -0.00621   1.05384
   D217      -0.10186  -0.00009   0.00290  -0.01281  -0.00991  -0.11177
   D218       3.01624  -0.00022   0.00337  -0.01036  -0.00699   3.00925
   D219       2.11129   0.00022   0.00270  -0.01146  -0.00876   2.10253
   D220      -1.05380   0.00010   0.00316  -0.00901  -0.00584  -1.05964
   D221       3.13297  -0.00017   0.00142  -0.00133   0.00009   3.13306
   D222      -0.02402   0.00003   0.00204  -0.00217  -0.00013  -0.02415
   D223       0.01296  -0.00004   0.00101  -0.00359  -0.00258   0.01038
   D224       3.13916   0.00016   0.00163  -0.00443  -0.00280   3.13636
   D225      -3.14121   0.00021  -0.00068   0.00049  -0.00019  -3.14140
   D226      -0.01867   0.00011  -0.00028   0.00251   0.00222  -0.01644
   D227       0.00311  -0.00009  -0.00142   0.00294   0.00152   0.00463
   D228      -3.12463  -0.00027  -0.00199   0.00369   0.00170  -3.12293
   D229      -0.01801   0.00018   0.00115  -0.00089   0.00027  -0.01774
   D230      -3.11887   0.00003   0.00074   0.00121   0.00196  -3.11691
   D231       0.02159  -0.00017  -0.00052  -0.00094  -0.00146   0.02013
   D232       3.12408  -0.00003  -0.00012  -0.00295  -0.00306   3.12102
   D233      -0.93750  -0.00008  -0.01273   0.09009   0.07735  -0.86015
   D234       1.15297  -0.00004  -0.01303   0.09569   0.08266   1.23563
   D235      -3.03018  -0.00008  -0.01144   0.09137   0.07993  -2.95025
   D236      -3.10138   0.00001  -0.01375   0.09048   0.07673  -3.02464
   D237      -1.01091   0.00005  -0.01404   0.09608   0.08204  -0.92887
   D238       1.08913   0.00002  -0.01245   0.09177   0.07931   1.16844
   D239       1.11161   0.00001  -0.01351   0.09350   0.08000   1.19161
   D240      -3.08110   0.00005  -0.01380   0.09910   0.08530  -2.99580
   D241      -0.98107   0.00001  -0.01221   0.09478   0.08257  -0.89849
   D242       2.98440   0.00000  -0.00384  -0.02736  -0.03120   2.95320
   D243      -1.22471  -0.00006  -0.00427  -0.02699  -0.03126  -1.25597
   D244       0.90569  -0.00006  -0.00412  -0.02679  -0.03091   0.87479
   D245      -1.11165   0.00002  -0.00294  -0.02791  -0.03085  -1.14250
   D246       0.96242  -0.00005  -0.00337  -0.02754  -0.03092   0.93151
   D247       3.09283  -0.00005  -0.00322  -0.02734  -0.03056   3.06226
   D248       0.95935  -0.00001  -0.00339  -0.02740  -0.03079   0.92855
   D249       3.03342  -0.00007  -0.00382  -0.02704  -0.03086   3.00256
   D250      -1.11936  -0.00007  -0.00367  -0.02683  -0.03051  -1.14987
   D251       0.00020   0.00002  -0.00063  -0.00073  -0.00137  -0.00117
   D252       3.13212  -0.00001   0.00084  -0.00350  -0.00266   3.12946
         Item               Value     Threshold  Converged?
 Maximum Force            0.002343     0.000450     NO 
 RMS     Force            0.000260     0.000300     YES
 Maximum Displacement     0.761924     0.001800     NO 
 RMS     Displacement     0.095903     0.001200     NO 
 Predicted change in Energy=-1.235702D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.867926   -1.862119    0.878669
      2          6           0       -9.308932   -0.770527   -0.038758
      3          6           0       -9.928206    0.598132    0.261531
      4          6           0       -7.818573   -0.701830    0.076612
      5          7           0       -6.948416   -0.885483   -0.886127
      6          6           0       -5.608283   -0.747636   -0.436964
      7          6           0       -4.508856   -0.942116   -1.443664
      8          7           0       -3.935970    0.334511   -1.944707
      9          6           0       -4.840387    1.084560   -2.860419
     10          6           0       -3.114153    1.142077   -1.116268
     11          8           0       -2.944079    2.337150   -1.334737
     12          7           0       -2.440612    0.502220   -0.030312
     13          6           0       -1.315397    1.258695    0.567692
     14          6           0       -0.025364    1.036072   -0.250130
     15          8           0        0.222154   -0.000136   -0.857240
     16          7           0        0.882725    2.088483   -0.230619
     17          6           0        2.175911    2.015794   -0.966359
     18          6           0        2.443204    3.350094   -1.698169
     19          6           0        2.512356    4.550795   -0.796410
     20          6           0        1.364776    5.328311   -0.574079
     21          6           0        1.424909    6.443685    0.265747
     22          6           0        2.627453    6.793116    0.887421
     23          6           0        3.774446    6.025529    0.660557
     24          6           0        3.720601    4.909622   -0.178463
     25          6           0        3.314575    1.638624    0.002820
     26          6           0        3.112321    0.236918    0.586955
     27          8           0        2.692644    0.353385    1.963921
     28          6           0        4.405191   -0.621606    0.725478
     29          6           0        5.152215   -0.745384   -0.611402
     30          6           0        6.521788   -1.336898   -0.424796
     31          6           0        6.716624   -2.716579   -0.591991
     32          6           0        7.988660   -3.267688   -0.423879
     33          6           0        9.072541   -2.448645   -0.088713
     34          6           0        8.879340   -1.074433    0.080173
     35          6           0        7.608251   -0.516489   -0.086132
     36          7           0        4.017647   -1.955953    1.284363
     37          6           0        3.219315   -2.802931    0.510832
     38          8           0        3.195111   -2.942623   -0.702231
     39          8           0        2.433792   -3.580734    1.351138
     40          6           0        1.501933   -4.496636    0.691953
     41          6           0        0.464881   -3.737970   -0.032480
     42          6           0       -0.892754   -3.711715    0.134061
     43          7           0       -1.592825   -2.852726   -0.738234
     44          6           0       -0.772354   -2.233046   -1.567809
     45         16           0        0.921070   -2.638762   -1.318191
     46          6           0       -1.132418    0.815600    2.049063
     47          6           0       -0.551488   -0.592383    2.175401
     48          6           0       -0.263301    1.825610    2.803940
     49          6           0       -5.465376   -0.451451    0.888412
     50         16           0       -7.028201   -0.335717    1.637123
     51          1           0      -10.948970   -1.976546    0.735470
     52          1           0       -9.405433   -2.835505    0.671387
     53          1           0       -9.705328   -1.640445    1.940050
     54          1           0       -9.557520   -1.044796   -1.104010
     55          1           0       -9.778319    0.903529    1.303922
     56          1           0       -9.498288    1.381564   -0.375103
     57          1           0      -11.009297    0.585651    0.080221
     58          1           0       -3.696337   -1.581778   -1.013261
     59          1           0       -4.895771   -1.510579   -2.327482
     60          1           0       -4.925337    0.524010   -3.805739
     61          1           0       -4.418136    2.082494   -3.084595
     62          1           0       -5.850657    1.223158   -2.440780
     63          1           0       -2.275514   -0.512293   -0.090156
     64          1           0       -1.594629    2.354912    0.543032
     65          1           0        0.682853    2.960527    0.256175
     66          1           0        2.080003    1.204906   -1.746622
     67          1           0        1.649721    3.497092   -2.465305
     68          1           0        3.382090    3.255816   -2.283256
     69          1           0        0.426433    5.074195   -1.067036
     70          1           0        0.531175    7.044432    0.431883
     71          1           0        2.672748    7.661935    1.540848
     72          1           0        4.714626    6.299872    1.137533
     73          1           0        4.620332    4.324491   -0.356319
     74          1           0        3.386842    2.372266    0.834687
     75          1           0        4.285959    1.710107   -0.528056
     76          1           0        2.327633   -0.327003    0.020570
     77          1           0        1.776174    0.735244    2.019227
     78          1           0        5.078411   -0.153936    1.496719
     79          1           0        4.559735   -1.365793   -1.328499
     80          1           0        5.222634    0.254348   -1.091425
     81          1           0        5.868654   -3.354206   -0.847638
     82          1           0        8.136450   -4.338654   -0.553381
     83          1           0       10.062052   -2.880711    0.040596
     84          1           0        9.720533   -0.435394    0.342194
     85          1           0        7.467148    0.552670    0.048378
     86          1           0        3.773784   -1.910870    2.286757
     87          1           0        1.110839   -5.056895    1.568947
     88          1           0        2.086138   -5.166705    0.029349
     89          1           0       -1.476249   -4.284465    0.847036
     90          1           0       -1.075271   -1.506310   -2.316078
     91          1           0       -2.155543    0.821744    2.510353
     92          1           0       -1.085197   -1.319307    1.548874
     93          1           0        0.507209   -0.643976    1.877569
     94          1           0       -0.609836   -0.959448    3.206842
     95          1           0       -0.288210    1.625167    3.883598
     96          1           0        0.794876    1.776563    2.500737
     97          1           0       -0.607218    2.856898    2.667898
     98          1           0       -4.553838   -0.290947    1.441037
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0818313      0.0289770      0.0234244
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.9420918767 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258337738820     A.U. after   19 cycles
             Convg  =    0.8858D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000007419    0.000024978    0.000039784
      2        6          -0.000030017    0.000011458   -0.000073267
      3        6          -0.000057522    0.000024630    0.000096544
      4        6           0.000227839   -0.000285876    0.000579514
      5        7          -0.000274427   -0.000030603   -0.000075318
      6        6          -0.000272599   -0.000223712   -0.000091382
      7        6           0.000107608   -0.000119857   -0.000343261
      8        7           0.000154899   -0.000163509    0.000403599
      9        6          -0.000060828    0.000223707    0.000055244
     10        6          -0.000067644   -0.000396078    0.000845341
     11        8          -0.000246508    0.000311219    0.000313151
     12        7          -0.000243633   -0.000756730   -0.001198358
     13        6           0.000223985    0.000235770   -0.000391854
     14        6           0.000004971    0.000315483    0.000811417
     15        8           0.000330592    0.000172196    0.000078097
     16        7          -0.000187231   -0.000571974   -0.000658374
     17        6           0.000721218   -0.000112585   -0.000245810
     18        6          -0.000110448    0.000310534    0.000104664
     19        6          -0.000071036   -0.000152287    0.000093573
     20        6           0.000111670   -0.000155601    0.000023429
     21        6           0.000059965    0.000147703   -0.000003363
     22        6          -0.000130611   -0.000059177    0.000045819
     23        6           0.000043127   -0.000093374   -0.000001281
     24        6          -0.000004748    0.000148245   -0.000052843
     25        6          -0.000175598   -0.000667913    0.000079845
     26        6          -0.000401233   -0.000574543    0.000271439
     27        8          -0.000318198    0.000316307    0.000262918
     28        6           0.000644155    0.000398178   -0.000133892
     29        6          -0.000251849    0.000442595    0.000206154
     30        6          -0.000083841   -0.000135677   -0.000143132
     31        6           0.000073068    0.000133164   -0.000040319
     32        6          -0.000154895   -0.000000618    0.000046996
     33        6           0.000022015    0.000132209    0.000045836
     34        6           0.000178117   -0.000029823   -0.000073653
     35        6          -0.000189410   -0.000071869    0.000042264
     36        7           0.000021948    0.000067055    0.000243552
     37        6          -0.000309271    0.000203096   -0.000913866
     38        8           0.000353617   -0.000449029    0.000265743
     39        8           0.000242863   -0.000267059    0.000612289
     40        6          -0.000110044   -0.000368494    0.001012045
     41        6           0.000011480   -0.000041091   -0.001598181
     42        6           0.000344447    0.000453870    0.000305420
     43        7          -0.000583348    0.000100111   -0.000508214
     44        6           0.000263482   -0.000557199    0.000222052
     45       16           0.000122434    0.000122372    0.001235268
     46        6          -0.000556351    0.000449543    0.000066598
     47        6          -0.000353233   -0.000102639    0.000101749
     48        6           0.000732539   -0.000284033    0.000068167
     49        6           0.000305028    0.000061679    0.000102488
     50       16          -0.000233565    0.000282698   -0.000479220
     51        1           0.000000923    0.000030854   -0.000032054
     52        1          -0.000027735   -0.000042569   -0.000002685
     53        1           0.000008994   -0.000032837   -0.000037247
     54        1           0.000012909   -0.000004221   -0.000078057
     55        1           0.000003802    0.000004979   -0.000006480
     56        1          -0.000034147   -0.000014832   -0.000038611
     57        1           0.000064956    0.000015980    0.000016596
     58        1           0.000070968    0.000027728   -0.000001443
     59        1          -0.000070407    0.000263400   -0.000034872
     60        1          -0.000027418   -0.000020025   -0.000030141
     61        1           0.000022794   -0.000035799   -0.000070450
     62        1          -0.000017192   -0.000054023    0.000027206
     63        1          -0.000049678    0.000136747    0.000210214
     64        1          -0.000053349    0.000379150    0.000248903
     65        1          -0.000102388    0.000209224    0.000124721
     66        1          -0.000187511    0.000287713    0.000112276
     67        1          -0.000037347   -0.000061058   -0.000085932
     68        1           0.000022965   -0.000037059    0.000011942
     69        1          -0.000008372    0.000015157   -0.000005751
     70        1          -0.000011570   -0.000015952   -0.000019325
     71        1           0.000034986   -0.000011820   -0.000011891
     72        1           0.000011168    0.000015707   -0.000004080
     73        1           0.000036966   -0.000028042   -0.000009887
     74        1          -0.000054153    0.000344485   -0.000261540
     75        1           0.000094736    0.000073632   -0.000008677
     76        1           0.000311807    0.000134500    0.000065017
     77        1           0.000269400    0.000342683   -0.000321924
     78        1           0.000207317   -0.000039255    0.000069481
     79        1           0.000156434    0.000110987   -0.000004971
     80        1          -0.000260906   -0.000148076    0.000069441
     81        1          -0.000045712   -0.000036665    0.000051672
     82        1           0.000024111   -0.000017577   -0.000018542
     83        1          -0.000028186   -0.000023874    0.000001411
     84        1          -0.000017815    0.000014426    0.000012424
     85        1           0.000051885    0.000064054    0.000023846
     86        1          -0.000441562    0.000020185   -0.000076501
     87        1          -0.000435814   -0.000007675   -0.001154193
     88        1           0.000020057    0.000274897    0.000011954
     89        1           0.000030368   -0.000332110    0.000038579
     90        1          -0.000039099   -0.000039082   -0.000033411
     91        1           0.000287878    0.000329624    0.000086754
     92        1           0.000092219    0.000062481   -0.000057119
     93        1           0.000475037    0.000332653   -0.000058935
     94        1           0.000118727   -0.000325372   -0.000249528
     95        1          -0.000101781   -0.000059279    0.000172931
     96        1          -0.000093399   -0.000498999   -0.000220523
     97        1          -0.000099766    0.000035543   -0.000068366
     98        1          -0.000001659   -0.000058041   -0.000007646
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001598181 RMS     0.000288315

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003760857 RMS     0.000430324
 Search for a local minimum.
 Step number  69 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   68   69
 DE=  5.45D-05 DEPred=-1.24D-04 R=-4.41D-01
 Trust test=-4.41D-01 RLast= 7.44D-01 DXMaxT set to 3.72D-01
     Eigenvalues ---    0.00072   0.00152   0.00174   0.00213   0.00268
     Eigenvalues ---    0.00333   0.00366   0.00440   0.00558   0.00587
     Eigenvalues ---    0.00664   0.00733   0.00806   0.00838   0.00896
     Eigenvalues ---    0.00984   0.00992   0.01101   0.01183   0.01289
     Eigenvalues ---    0.01301   0.01386   0.01425   0.01449   0.01528
     Eigenvalues ---    0.01579   0.01650   0.01697   0.01749   0.01761
     Eigenvalues ---    0.01927   0.02077   0.02092   0.02114   0.02194
     Eigenvalues ---    0.02203   0.02221   0.02253   0.02257   0.02269
     Eigenvalues ---    0.02290   0.02330   0.02373   0.02404   0.02409
     Eigenvalues ---    0.02415   0.02447   0.02482   0.02485   0.02522
     Eigenvalues ---    0.02527   0.02528   0.02573   0.02672   0.02705
     Eigenvalues ---    0.02862   0.02988   0.03356   0.03756   0.03929
     Eigenvalues ---    0.04012   0.04120   0.04170   0.04295   0.04435
     Eigenvalues ---    0.04586   0.04740   0.04939   0.04972   0.05074
     Eigenvalues ---    0.05144   0.05187   0.05250   0.05359   0.05382
     Eigenvalues ---    0.05450   0.05511   0.05527   0.05579   0.05617
     Eigenvalues ---    0.05651   0.05715   0.05832   0.05856   0.05873
     Eigenvalues ---    0.05971   0.06023   0.06085   0.06117   0.06281
     Eigenvalues ---    0.06508   0.06765   0.06911   0.07058   0.07082
     Eigenvalues ---    0.07530   0.08119   0.08323   0.08589   0.08838
     Eigenvalues ---    0.09298   0.09651   0.09886   0.10318   0.11417
     Eigenvalues ---    0.12115   0.12894   0.13132   0.13316   0.13458
     Eigenvalues ---    0.13765   0.14119   0.14402   0.15538   0.15688
     Eigenvalues ---    0.15792   0.15844   0.15959   0.15975   0.15980
     Eigenvalues ---    0.15984   0.15994   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16007   0.16015   0.16028
     Eigenvalues ---    0.16039   0.16080   0.16098   0.16122   0.16160
     Eigenvalues ---    0.16237   0.16406   0.16697   0.16884   0.17237
     Eigenvalues ---    0.17786   0.17990   0.18154   0.18750   0.19007
     Eigenvalues ---    0.19736   0.19954   0.20166   0.20859   0.21732
     Eigenvalues ---    0.21858   0.22000   0.22001   0.22003   0.22034
     Eigenvalues ---    0.22171   0.22343   0.22610   0.23001   0.23450
     Eigenvalues ---    0.23481   0.23584   0.23695   0.23845   0.24224
     Eigenvalues ---    0.24346   0.24732   0.24823   0.24993   0.25079
     Eigenvalues ---    0.25167   0.25244   0.25675   0.26366   0.26916
     Eigenvalues ---    0.27758   0.29323   0.29679   0.29848   0.29911
     Eigenvalues ---    0.30049   0.30166   0.30275   0.30474   0.30647
     Eigenvalues ---    0.30717   0.30845   0.31313   0.31398   0.31427
     Eigenvalues ---    0.31479   0.31500   0.31661   0.31715   0.31800
     Eigenvalues ---    0.31944   0.32066   0.32296   0.32323   0.32586
     Eigenvalues ---    0.32588   0.32675   0.32723   0.32813   0.32884
     Eigenvalues ---    0.32924   0.33000   0.33063   0.33148   0.33162
     Eigenvalues ---    0.33199   0.33394   0.33473   0.33547   0.33674
     Eigenvalues ---    0.33719   0.33774   0.33868   0.33937   0.33971
     Eigenvalues ---    0.34041   0.34203   0.34240   0.34313   0.34355
     Eigenvalues ---    0.34477   0.34509   0.34547   0.34716   0.35451
     Eigenvalues ---    0.35805   0.36247   0.36312   0.36374   0.36527
     Eigenvalues ---    0.36633   0.36837   0.36959   0.37172   0.37275
     Eigenvalues ---    0.38506   0.38613   0.39357   0.40097   0.40932
     Eigenvalues ---    0.41433   0.41713   0.42497   0.42543   0.43277
     Eigenvalues ---    0.43363   0.44015   0.44731   0.45180   0.45377
     Eigenvalues ---    0.46278   0.47485   0.47814   0.48369   0.48448
     Eigenvalues ---    0.48620   0.48988   0.49227   0.49543   0.50252
     Eigenvalues ---    0.50785   0.51194   0.51262   0.51416   0.55747
     Eigenvalues ---    0.56446   0.58765   0.59518   0.62801   0.63319
     Eigenvalues ---    0.64896   0.70335   0.77825   0.80582   0.86523
     Eigenvalues ---    1.29220   1.99310   5.141531000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    69   68   67   66   65
 RFO step:  Lambda=-8.69800751D-05.
 DIIS coeffs:      0.19417      0.21697      0.49318     -1.92872      2.02439
 Maximum step size (   0.372) exceeded in Quadratic search.
    -- Step size scaled by   0.349
 Iteration  1 RMS(Cart)=  0.05318308 RMS(Int)=  0.00123720
 Iteration  2 RMS(Cart)=  0.00199130 RMS(Int)=  0.00003402
 Iteration  3 RMS(Cart)=  0.00000269 RMS(Int)=  0.00003400
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003400
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89426  -0.00004   0.00010   0.00000   0.00010   2.89436
    R2        2.07203   0.00002  -0.00003   0.00000  -0.00003   2.07201
    R3        2.07383  -0.00001   0.00001  -0.00001   0.00000   2.07384
    R4        2.07191   0.00000  -0.00001   0.00000   0.00000   2.07190
    R5        2.89499  -0.00006  -0.00014  -0.00002  -0.00016   2.89483
    R6        2.82778  -0.00005   0.00002  -0.00003  -0.00001   2.82777
    R7        2.13111   0.00005   0.00006   0.00001   0.00007   2.13118
    R8        2.07208  -0.00001  -0.00001   0.00001  -0.00001   2.07208
    R9        2.07345   0.00005   0.00002   0.00000   0.00002   2.07347
   R10        2.07163   0.00006   0.00011   0.00000   0.00012   2.07175
   R11        2.47674   0.00017   0.00035  -0.00002   0.00033   2.47708
   R12        3.37723  -0.00040  -0.00105   0.00001  -0.00105   3.37618
   R13        2.68361  -0.00014  -0.00016   0.00000  -0.00015   2.68346
   R14        2.84089  -0.00026  -0.00018  -0.00009  -0.00026   2.84062
   R15        2.58055  -0.00003   0.00007  -0.00002   0.00005   2.58059
   R16        2.80866  -0.00043  -0.00063  -0.00006  -0.00068   2.80797
   R17        2.11666  -0.00006   0.00015   0.00000   0.00015   2.11682
   R18        2.11615   0.00026   0.00056   0.00000   0.00055   2.11670
   R19        2.81504  -0.00002  -0.00006  -0.00002  -0.00008   2.81496
   R20        2.68172  -0.00013   0.00053  -0.00006   0.00047   2.68219
   R21        2.08304   0.00000  -0.00005   0.00000  -0.00005   2.08299
   R22        2.09105   0.00007   0.00022   0.00000   0.00022   2.09127
   R23        2.08381  -0.00001  -0.00025   0.00001  -0.00024   2.08357
   R24        2.31817  -0.00048  -0.00034   0.00001  -0.00033   2.31785
   R25        2.70064  -0.00117  -0.00145   0.00001  -0.00143   2.69921
   R26        2.80035  -0.00107  -0.00072   0.00002  -0.00070   2.79965
   R27        1.94566   0.00023   0.00053  -0.00002   0.00051   1.94617
   R28        2.91691  -0.00012   0.00021  -0.00001   0.00021   2.91712
   R29        2.94232  -0.00016   0.00000  -0.00004  -0.00005   2.94227
   R30        2.13821  -0.00041  -0.00080   0.00003  -0.00077   2.13744
   R31        2.31719  -0.00003   0.00160  -0.00008   0.00151   2.31870
   R32        2.62704   0.00058  -0.00217   0.00008  -0.00208   2.62496
   R33        2.81495   0.00004  -0.00016   0.00000  -0.00016   2.81478
   R34        1.92472  -0.00024   0.00002  -0.00004  -0.00002   1.92470
   R35        2.91982  -0.00009  -0.00016   0.00008  -0.00008   2.91974
   R36        2.91418   0.00027   0.00090   0.00000   0.00090   2.91507
   R37        2.13426   0.00030   0.00009   0.00001   0.00010   2.13436
   R38        2.84065   0.00020   0.00032   0.00001   0.00033   2.84098
   R39        2.10407   0.00000  -0.00004   0.00002  -0.00002   2.10405
   R40        2.09813  -0.00003  -0.00003  -0.00001  -0.00004   2.09809
   R41        2.65296   0.00011   0.00015   0.00001   0.00016   2.65312
   R42        2.65268  -0.00006  -0.00018   0.00001  -0.00017   2.65250
   R43        2.64088  -0.00007  -0.00015   0.00000  -0.00015   2.64072
   R44        2.05978   0.00001  -0.00002   0.00000  -0.00001   2.05976
   R45        2.64203   0.00008   0.00016   0.00000   0.00015   2.64219
   R46        2.05907  -0.00001  -0.00005   0.00000  -0.00004   2.05903
   R47        2.64308  -0.00004  -0.00013   0.00000  -0.00013   2.64295
   R48        2.05613   0.00002   0.00000   0.00000   0.00000   2.05613
   R49        2.64028   0.00009   0.00016   0.00000   0.00016   2.64044
   R50        2.05860  -0.00002  -0.00005   0.00000  -0.00005   2.05855
   R51        2.05583  -0.00004  -0.00010   0.00000  -0.00011   2.05573
   R52        2.89498   0.00022   0.00008   0.00003   0.00011   2.89510
   R53        2.10045  -0.00040   0.00004  -0.00006  -0.00002   2.10043
   R54        2.09626  -0.00009  -0.00108   0.00004  -0.00104   2.09521
   R55        2.72915  -0.00038   0.00007   0.00000   0.00007   2.72922
   R56        2.94444   0.00011  -0.00026   0.00002  -0.00024   2.94419
   R57        2.11661   0.00024   0.00039   0.00000   0.00039   2.11700
   R58        1.87911   0.00031   0.00115  -0.00007   0.00108   1.88019
   R59        2.90343   0.00033   0.00076   0.00003   0.00080   2.90423
   R60        2.83019  -0.00075  -0.00004  -0.00005  -0.00009   2.83010
   R61        2.12689  -0.00001  -0.00072   0.00000  -0.00072   2.12617
   R62        2.84116   0.00015   0.00011   0.00002   0.00013   2.84129
   R63        2.11292   0.00014  -0.00010   0.00000  -0.00010   2.11282
   R64        2.09993  -0.00003  -0.00051   0.00002  -0.00050   2.09944
   R65        2.65198   0.00014   0.00000   0.00001   0.00001   2.65199
   R66        2.65112  -0.00002   0.00014  -0.00001   0.00012   2.65124
   R67        2.63890   0.00008   0.00019  -0.00001   0.00018   2.63908
   R68        2.06229  -0.00004  -0.00036   0.00002  -0.00034   2.06195
   R69        2.64424  -0.00007  -0.00016   0.00000  -0.00016   2.64409
   R70        2.05762  -0.00003  -0.00005   0.00000  -0.00004   2.05757
   R71        2.64177   0.00009   0.00014  -0.00001   0.00014   2.64191
   R72        2.05497   0.00003   0.00003   0.00000   0.00003   2.05500
   R73        2.64199  -0.00011  -0.00020   0.00001  -0.00019   2.64180
   R74        2.05679  -0.00001   0.00001   0.00000   0.00001   2.05680
   R75        2.05373  -0.00004  -0.00001  -0.00001  -0.00002   2.05371
   R76        2.64092  -0.00085  -0.00036  -0.00016  -0.00053   2.64040
   R77        1.95136  -0.00024  -0.00139  -0.00004  -0.00143   1.94993
   R78        2.30796  -0.00055  -0.00030   0.00002  -0.00028   2.30768
   R79        2.62402  -0.00014   0.00035   0.00009   0.00044   2.62447
   R80        2.76557  -0.00050   0.00019   0.00006   0.00025   2.76582
   R81        2.78749   0.00030   0.00050   0.00001   0.00050   2.78800
   R82        2.10088  -0.00123  -0.00168  -0.00002  -0.00170   2.09918
   R83        2.09524   0.00015   0.00024   0.00000   0.00024   2.09548
   R84        2.58526   0.00020   0.00031  -0.00001   0.00030   2.58556
   R85        3.31076  -0.00113  -0.00177   0.00002  -0.00175   3.30900
   R86        2.66502   0.00015  -0.00007   0.00003  -0.00005   2.66498
   R87        2.05002  -0.00003  -0.00015   0.00000  -0.00015   2.04987
   R88        2.49656  -0.00033  -0.00008  -0.00002  -0.00010   2.49647
   R89        3.32431  -0.00026  -0.00001   0.00001   0.00000   3.32430
   R90        2.05260   0.00002   0.00011   0.00002   0.00013   2.05274
   R91        2.88817  -0.00038   0.00045  -0.00002   0.00043   2.88859
   R92        2.89401   0.00068  -0.00047   0.00010  -0.00037   2.89364
   R93        2.12088   0.00033   0.00035   0.00003   0.00038   2.12126
   R94        2.07509   0.00008   0.00038  -0.00004   0.00034   2.07543
   R95        2.08059  -0.00049   0.00131  -0.00006   0.00125   2.08185
   R96        2.07183  -0.00016   0.00000   0.00001   0.00001   2.07183
   R97        2.07566   0.00017  -0.00018   0.00000  -0.00018   2.07548
   R98        2.08220   0.00023  -0.00053  -0.00001  -0.00054   2.08166
   R99        2.07039  -0.00004  -0.00033   0.00000  -0.00033   2.07006
   R100       3.28203  -0.00024  -0.00055   0.00000  -0.00056   3.28147
   R101       2.03710   0.00004   0.00034  -0.00001   0.00034   2.03744
    A1        1.93477  -0.00002  -0.00001   0.00001  -0.00001   1.93477
    A2        1.94466  -0.00001  -0.00002  -0.00002  -0.00003   1.94462
    A3        1.96237  -0.00006  -0.00039   0.00001  -0.00038   1.96200
    A4        1.87368   0.00003   0.00005   0.00003   0.00009   1.87376
    A5        1.86893   0.00004   0.00037  -0.00003   0.00034   1.86927
    A6        1.87515   0.00003   0.00003  -0.00001   0.00003   1.87518
    A7        1.95174  -0.00002  -0.00008  -0.00001  -0.00009   1.95166
    A8        1.92842  -0.00004  -0.00071   0.00001  -0.00070   1.92771
    A9        1.88813   0.00004   0.00024  -0.00004   0.00020   1.88833
   A10        1.92461   0.00005   0.00064   0.00002   0.00066   1.92527
   A11        1.88949  -0.00001  -0.00006   0.00002  -0.00004   1.88945
   A12        1.87920  -0.00001  -0.00002   0.00000  -0.00002   1.87917
   A13        1.96050   0.00001   0.00019  -0.00002   0.00018   1.96068
   A14        1.94527  -0.00003  -0.00006   0.00002  -0.00004   1.94523
   A15        1.93484   0.00002  -0.00005   0.00001  -0.00004   1.93480
   A16        1.87461   0.00001   0.00010   0.00000   0.00009   1.87470
   A17        1.87046  -0.00001  -0.00024  -0.00003  -0.00026   1.87020
   A18        1.87399   0.00002   0.00004   0.00001   0.00006   1.87405
   A19        2.21202  -0.00012  -0.00073   0.00000  -0.00072   2.21129
   A20        2.11437   0.00024   0.00085  -0.00001   0.00085   2.11521
   A21        1.95680  -0.00012  -0.00013   0.00000  -0.00012   1.95668
   A22        1.96124   0.00006   0.00004   0.00000   0.00004   1.96127
   A23        2.05532  -0.00019  -0.00172   0.00007  -0.00165   2.05366
   A24        2.01174  -0.00006  -0.00021   0.00001  -0.00020   2.01154
   A25        2.21613   0.00025   0.00193  -0.00008   0.00185   2.21798
   A26        1.97852  -0.00024   0.00073  -0.00016   0.00057   1.97909
   A27        1.92524   0.00002  -0.00148   0.00005  -0.00143   1.92381
   A28        1.91931   0.00010   0.00068   0.00003   0.00071   1.92003
   A29        1.91820   0.00003   0.00112  -0.00003   0.00109   1.91928
   A30        1.87879   0.00017   0.00009   0.00008   0.00017   1.87896
   A31        1.83798  -0.00007  -0.00125   0.00005  -0.00120   1.83678
   A32        1.98853  -0.00001  -0.00061   0.00005  -0.00056   1.98797
   A33        2.11206  -0.00015   0.00083   0.00001   0.00084   2.11290
   A34        2.00857   0.00020  -0.00032   0.00011  -0.00021   2.00836
   A35        1.89433   0.00001   0.00056  -0.00001   0.00056   1.89488
   A36        1.92511   0.00006  -0.00067   0.00006  -0.00061   1.92450
   A37        1.96665  -0.00007   0.00001  -0.00005  -0.00004   1.96661
   A38        1.89050  -0.00003  -0.00015   0.00002  -0.00012   1.89038
   A39        1.89618   0.00005   0.00069   0.00000   0.00069   1.89687
   A40        1.88952  -0.00002  -0.00044  -0.00002  -0.00046   1.88906
   A41        2.13023   0.00017  -0.00047   0.00003  -0.00044   2.12979
   A42        2.05076  -0.00018   0.00000  -0.00006  -0.00006   2.05070
   A43        2.10153   0.00000   0.00044   0.00002   0.00046   2.10199
   A44        2.02189   0.00031   0.00138  -0.00002   0.00136   2.02325
   A45        2.06301  -0.00009   0.00068  -0.00007   0.00062   2.06362
   A46        1.98745  -0.00018   0.00027  -0.00001   0.00026   1.98771
   A47        1.92534  -0.00097  -0.00010   0.00000  -0.00009   1.92525
   A48        1.90488  -0.00006   0.00030  -0.00008   0.00022   1.90510
   A49        1.87380   0.00031  -0.00013   0.00000  -0.00013   1.87367
   A50        1.94424   0.00099  -0.00062   0.00019  -0.00043   1.94382
   A51        1.91180   0.00018   0.00087  -0.00012   0.00074   1.91254
   A52        1.90228  -0.00047  -0.00031   0.00000  -0.00031   1.90197
   A53        2.15665  -0.00088  -0.00277   0.00019  -0.00257   2.15408
   A54        2.01452   0.00098   0.00184  -0.00021   0.00164   2.01617
   A55        2.11160  -0.00010   0.00104   0.00002   0.00107   2.11267
   A56        2.12141  -0.00029   0.00091   0.00012   0.00148   2.12289
   A57        2.12550   0.00011  -0.00136  -0.00005  -0.00096   2.12453
   A58        2.03555   0.00019  -0.00016  -0.00010   0.00019   2.03574
   A59        1.91982  -0.00029  -0.00175   0.00008  -0.00167   1.91814
   A60        1.92041   0.00020   0.00218  -0.00008   0.00210   1.92251
   A61        1.87816   0.00006  -0.00056   0.00006  -0.00050   1.87766
   A62        1.96183   0.00043  -0.00044   0.00003  -0.00041   1.96142
   A63        1.88336   0.00018   0.00058   0.00004   0.00061   1.88398
   A64        1.89789  -0.00061  -0.00003  -0.00013  -0.00016   1.89773
   A65        1.99722  -0.00013  -0.00028   0.00005  -0.00023   1.99698
   A66        1.89342   0.00012   0.00055   0.00000   0.00055   1.89397
   A67        1.89922   0.00005  -0.00004   0.00000  -0.00004   1.89918
   A68        1.91840  -0.00001  -0.00004   0.00001  -0.00003   1.91837
   A69        1.92309   0.00001  -0.00017  -0.00002  -0.00019   1.92289
   A70        1.82427  -0.00004   0.00002  -0.00004  -0.00003   1.82425
   A71        2.09414   0.00004  -0.00007   0.00002  -0.00006   2.09408
   A72        2.10349  -0.00001   0.00012  -0.00001   0.00011   2.10360
   A73        2.08553  -0.00004  -0.00005   0.00000  -0.00005   2.08548
   A74        2.09674   0.00003   0.00006   0.00000   0.00006   2.09679
   A75        2.09782  -0.00003  -0.00018   0.00000  -0.00018   2.09764
   A76        2.08852   0.00000   0.00013   0.00000   0.00013   2.08864
   A77        2.09868   0.00000  -0.00002   0.00000  -0.00002   2.09866
   A78        2.09021   0.00002   0.00013   0.00000   0.00012   2.09034
   A79        2.09429  -0.00001  -0.00011   0.00000  -0.00011   2.09418
   A80        2.08987  -0.00001  -0.00002   0.00000  -0.00002   2.08984
   A81        2.09719  -0.00003  -0.00013   0.00000  -0.00013   2.09705
   A82        2.09612   0.00004   0.00016   0.00000   0.00016   2.09627
   A83        2.09916   0.00000   0.00001   0.00000   0.00001   2.09917
   A84        2.09270   0.00000   0.00006   0.00000   0.00006   2.09276
   A85        2.09132   0.00000  -0.00007  -0.00001  -0.00007   2.09125
   A86        2.09635   0.00002   0.00002   0.00000   0.00002   2.09637
   A87        2.09717   0.00001   0.00016  -0.00001   0.00015   2.09732
   A88        2.08964  -0.00003  -0.00018   0.00001  -0.00017   2.08947
   A89        1.94544  -0.00230  -0.00052  -0.00011  -0.00062   1.94482
   A90        1.93578   0.00069  -0.00133   0.00005  -0.00127   1.93450
   A91        1.90715   0.00058   0.00102  -0.00006   0.00096   1.90811
   A92        1.90407   0.00100  -0.00139   0.00026  -0.00113   1.90294
   A93        1.93590   0.00053   0.00035  -0.00008   0.00027   1.93618
   A94        1.83247  -0.00036   0.00198  -0.00005   0.00192   1.83439
   A95        1.90511   0.00022  -0.00627   0.00023  -0.00606   1.89905
   A96        2.01363   0.00115  -0.00240  -0.00004  -0.00246   2.01117
   A97        1.93943  -0.00063  -0.00062   0.00008  -0.00054   1.93889
   A98        1.77296  -0.00012   0.00697  -0.00003   0.00696   1.77993
   A99        1.89563  -0.00012   0.00254  -0.00019   0.00238   1.89801
   A100       1.92714  -0.00048   0.00043  -0.00005   0.00041   1.92755
   A101       1.93032  -0.00079  -0.00286  -0.00010  -0.00295   1.92736
   A102       1.95031   0.00057  -0.00073   0.00003  -0.00070   1.94961
   A103       1.88533  -0.00077   0.00197  -0.00013   0.00184   1.88717
   A104       1.90529   0.00025   0.00055   0.00002   0.00057   1.90586
   A105       1.95923  -0.00038  -0.00374   0.00020  -0.00354   1.95569
   A106       1.91654  -0.00014   0.00101  -0.00006   0.00095   1.91748
   A107       1.84344   0.00048   0.00112  -0.00006   0.00106   1.84450
   A108       1.94615   0.00025   0.00068   0.00004   0.00072   1.94688
   A109       1.92316  -0.00016  -0.00130   0.00009  -0.00121   1.92194
   A110       1.91155   0.00003   0.00000  -0.00003  -0.00004   1.91152
   A111       1.92197  -0.00002   0.00058   0.00001   0.00058   1.92255
   A112       1.92820  -0.00020  -0.00084  -0.00009  -0.00094   1.92726
   A113       1.82940   0.00010   0.00087  -0.00001   0.00086   1.83026
   A114       2.09263  -0.00004   0.00036  -0.00001   0.00035   2.09299
   A115       2.10058   0.00006  -0.00019   0.00000  -0.00019   2.10039
   A116       2.08997  -0.00002  -0.00017   0.00001  -0.00016   2.08981
   A117       2.09453   0.00000   0.00008   0.00000   0.00007   2.09460
   A118       2.08799   0.00004   0.00039  -0.00001   0.00037   2.08836
   A119       2.10065  -0.00005  -0.00046   0.00002  -0.00045   2.10020
   A120       2.09836  -0.00004  -0.00001   0.00000  -0.00001   2.09834
   A121       2.09150   0.00001  -0.00007   0.00000  -0.00008   2.09143
   A122       2.09333   0.00003   0.00009   0.00000   0.00009   2.09342
   A123       2.09125   0.00001  -0.00004   0.00000  -0.00004   2.09122
   A124       2.09527   0.00002   0.00014   0.00000   0.00014   2.09541
   A125       2.09666  -0.00003  -0.00011   0.00000  -0.00011   2.09656
   A126       2.09853   0.00004   0.00003   0.00000   0.00004   2.09857
   A127       2.09373  -0.00005  -0.00016   0.00000  -0.00015   2.09358
   A128       2.09092   0.00001   0.00012  -0.00001   0.00012   2.09104
   A129       2.09374   0.00001   0.00011  -0.00001   0.00010   2.09383
   A130       2.09975  -0.00008  -0.00035   0.00002  -0.00033   2.09942
   A131       2.08970   0.00008   0.00025  -0.00002   0.00023   2.08993
   A132       2.07286  -0.00376  -0.00269   0.00017  -0.00252   2.07034
   A133       1.96542   0.00142   0.00290  -0.00003   0.00287   1.96829
   A134       2.01402   0.00135   0.00221   0.00003   0.00224   2.01626
   A135       2.25287  -0.00060  -0.00119   0.00011  -0.00107   2.25180
   A136       1.90465   0.00123   0.00059  -0.00003   0.00056   1.90521
   A137       2.12444  -0.00057   0.00073  -0.00009   0.00064   2.12508
   A138       2.02438  -0.00362  -0.00114  -0.00022  -0.00136   2.02302
   A139       1.92515  -0.00263  -0.00020  -0.00019  -0.00038   1.92477
   A140       1.75592   0.00095   0.00050   0.00009   0.00059   1.75652
   A141       1.88799   0.00095   0.00054   0.00000   0.00054   1.88853
   A142       1.98153   0.00071   0.00045   0.00008   0.00053   1.98206
   A143       1.96901   0.00030  -0.00051   0.00002  -0.00048   1.96852
   A144       1.93074  -0.00025  -0.00066  -0.00001  -0.00066   1.93008
   A145       2.27546   0.00086  -0.00001   0.00009   0.00008   2.27553
   A146       2.09444  -0.00111  -0.00038  -0.00011  -0.00050   2.09394
   A147       1.91314   0.00025   0.00039   0.00002   0.00041   1.91356
   A148       2.01420  -0.00045  -0.00055  -0.00003  -0.00059   2.01362
   A149       2.21886   0.00018   0.00006   0.00003   0.00009   2.21896
   A150       2.05002   0.00028   0.00052   0.00000   0.00052   2.05054
   A151       1.94529   0.00017   0.00031   0.00002   0.00033   1.94562
   A152       1.98292  -0.00015  -0.00046   0.00000  -0.00046   1.98246
   A153       2.18122   0.00014   0.00037   0.00001   0.00038   2.18159
   A154       2.11826   0.00002   0.00014  -0.00002   0.00012   2.11838
   A155       1.56897   0.00019   0.00031  -0.00002   0.00029   1.56926
   A156       1.96653  -0.00003  -0.00023   0.00003  -0.00020   1.96633
   A157       1.92621  -0.00024  -0.00069   0.00001  -0.00068   1.92553
   A158       1.85705   0.00007  -0.00013  -0.00002  -0.00015   1.85690
   A159       1.92956   0.00051   0.00135   0.00024   0.00159   1.93115
   A160       1.89397  -0.00016  -0.00159  -0.00016  -0.00175   1.89222
   A161       1.88720  -0.00019   0.00127  -0.00011   0.00115   1.88835
   A162       1.95837  -0.00008  -0.00045  -0.00009  -0.00054   1.95783
   A163       1.96742   0.00014  -0.00127   0.00021  -0.00106   1.96636
   A164       1.94547  -0.00046  -0.00111  -0.00005  -0.00117   1.94431
   A165       1.85667  -0.00006  -0.00091  -0.00010  -0.00101   1.85566
   A166       1.86426   0.00029   0.00100   0.00008   0.00108   1.86534
   A167       1.86500   0.00021   0.00302  -0.00005   0.00297   1.86797
   A168       1.92974  -0.00003   0.00089  -0.00003   0.00086   1.93060
   A169       1.96062   0.00064   0.00147   0.00017   0.00164   1.96226
   A170       1.96216  -0.00015  -0.00053  -0.00011  -0.00064   1.96152
   A171       1.85890  -0.00022  -0.00157   0.00006  -0.00151   1.85739
   A172       1.86159   0.00007   0.00028   0.00005   0.00033   1.86192
   A173       1.88514  -0.00034  -0.00067  -0.00015  -0.00082   1.88433
   A174       1.91632  -0.00003  -0.00003   0.00000  -0.00003   1.91629
   A175       2.23743   0.00003   0.00011  -0.00002   0.00008   2.23751
   A176       2.12937   0.00000  -0.00007   0.00002  -0.00005   2.12933
   A177       1.57868   0.00015   0.00032   0.00000   0.00032   1.57900
    D1        1.07582   0.00001   0.00552  -0.00087   0.00465   1.08047
    D2       -3.05647   0.00003   0.00578  -0.00084   0.00493  -3.05153
    D3       -1.00340   0.00001   0.00549  -0.00086   0.00463  -0.99877
    D4       -3.12182   0.00002   0.00557  -0.00084   0.00473  -3.11709
    D5       -0.97092   0.00004   0.00583  -0.00081   0.00502  -0.96591
    D6        1.08215   0.00003   0.00554  -0.00083   0.00471   1.08686
    D7       -1.01554   0.00001   0.00533  -0.00085   0.00448  -1.01106
    D8        1.13536   0.00003   0.00558  -0.00082   0.00477   1.14012
    D9       -3.09476   0.00001   0.00529  -0.00084   0.00446  -3.09030
   D10        1.00230  -0.00001   0.00097  -0.00059   0.00037   1.00267
   D11        3.10701  -0.00002   0.00119  -0.00059   0.00059   3.10760
   D12       -1.08979  -0.00001   0.00117  -0.00055   0.00062  -1.08918
   D13       -1.15075   0.00002   0.00148  -0.00061   0.00086  -1.14989
   D14        0.95396   0.00001   0.00170  -0.00062   0.00108   0.95504
   D15        3.04034   0.00002   0.00168  -0.00058   0.00111   3.04145
   D16        3.08071   0.00001   0.00118  -0.00063   0.00054   3.08125
   D17       -1.09776   0.00000   0.00140  -0.00064   0.00076  -1.09700
   D18        0.98862   0.00002   0.00138  -0.00060   0.00078   0.98940
   D19        2.09091   0.00001  -0.00979  -0.00004  -0.00983   2.08108
   D20       -1.05323  -0.00003  -0.00951  -0.00028  -0.00979  -1.06302
   D21       -2.02571  -0.00002  -0.00994  -0.00003  -0.00997  -2.03568
   D22        1.11333  -0.00005  -0.00966  -0.00027  -0.00993   1.10340
   D23        0.03236  -0.00001  -0.00967   0.00000  -0.00967   0.02270
   D24       -3.11178  -0.00004  -0.00939  -0.00024  -0.00963  -3.12141
   D25        3.14082   0.00002   0.00121  -0.00005   0.00116  -3.14121
   D26        0.00158   0.00005   0.00095   0.00017   0.00112   0.00270
   D27       -3.13965  -0.00002  -0.00129   0.00002  -0.00126  -3.14091
   D28       -0.00026  -0.00005  -0.00105  -0.00018  -0.00123  -0.00149
   D29        3.13564  -0.00004  -0.00161   0.00005  -0.00156   3.13408
   D30       -0.00261  -0.00002  -0.00031  -0.00006  -0.00037  -0.00298
   D31        1.76378   0.00016   0.05987  -0.00202   0.05784   1.82162
   D32       -2.35991   0.00004   0.06074  -0.00215   0.05859  -2.30132
   D33       -0.34020   0.00003   0.05876  -0.00204   0.05672  -0.28347
   D34       -1.38159   0.00015   0.05838  -0.00190   0.05648  -1.32511
   D35        0.77791   0.00002   0.05925  -0.00202   0.05723   0.83514
   D36        2.79761   0.00002   0.05728  -0.00191   0.05537   2.85298
   D37        0.00233  -0.00002  -0.00050  -0.00007  -0.00057   0.00176
   D38       -3.12743   0.00002  -0.00165   0.00022  -0.00143  -3.12886
   D39       -3.13556   0.00000   0.00096  -0.00020   0.00076  -3.13480
   D40        0.01787   0.00004  -0.00019   0.00010  -0.00010   0.01777
   D41       -1.25779  -0.00014   0.00853  -0.00030   0.00823  -1.24956
   D42        1.25372   0.00001   0.00822   0.00001   0.00822   1.26195
   D43        2.86205  -0.00001   0.00908  -0.00022   0.00886   2.87091
   D44       -0.90962   0.00013   0.00876   0.00009   0.00885  -0.90077
   D45        0.86898  -0.00004   0.00993  -0.00031   0.00962   0.87860
   D46       -2.90269   0.00010   0.00962  -0.00001   0.00961  -2.89308
   D47       -1.20944  -0.00001   0.01218  -0.00052   0.01166  -1.19779
   D48        3.00516  -0.00001   0.01241  -0.00058   0.01183   3.01699
   D49        0.89137   0.00002   0.01344  -0.00056   0.01288   0.90425
   D50        2.52360  -0.00001   0.01204  -0.00078   0.01126   2.53486
   D51        0.45502  -0.00001   0.01226  -0.00084   0.01143   0.46645
   D52       -1.65877   0.00002   0.01329  -0.00081   0.01248  -1.64629
   D53       -2.77000  -0.00018  -0.00016  -0.00014  -0.00030  -2.77030
   D54        0.41080   0.00003   0.00062   0.00006   0.00068   0.41148
   D55       -0.26519  -0.00011  -0.00057   0.00015  -0.00042  -0.26561
   D56        2.91560   0.00010   0.00022   0.00035   0.00056   2.91617
   D57        2.84965  -0.00020  -0.00461   0.00033  -0.00428   2.84537
   D58        0.40000  -0.00019  -0.00806   0.00049  -0.00757   0.39243
   D59       -0.25342   0.00000  -0.00381   0.00052  -0.00329  -0.25671
   D60       -2.70307   0.00002  -0.00727   0.00068  -0.00658  -2.70965
   D61       -1.45741   0.00027   0.01207  -0.00017   0.01190  -1.44552
   D62        2.68420  -0.00030   0.01270  -0.00036   0.01235   2.69655
   D63        0.62474   0.00013   0.01298  -0.00031   0.01267   0.63741
   D64        1.02192   0.00028   0.01551  -0.00034   0.01517   1.03709
   D65       -1.11965  -0.00029   0.01614  -0.00053   0.01561  -1.10403
   D66        3.10408   0.00014   0.01642  -0.00049   0.01594   3.12001
   D67       -0.54091   0.00052  -0.01657   0.00095  -0.01562  -0.55653
   D68        2.63129   0.00042  -0.02231   0.00090  -0.02142   2.60988
   D69        1.57742   0.00044  -0.01667   0.00097  -0.01569   1.56173
   D70       -1.53356   0.00035  -0.02240   0.00092  -0.02149  -1.55505
   D71       -2.59985   0.00061  -0.01688   0.00102  -0.01585  -2.61571
   D72        0.57236   0.00052  -0.02262   0.00097  -0.02166   0.55070
   D73        1.25020  -0.00021  -0.02454   0.00105  -0.02349   1.22670
   D74       -2.86665   0.00026  -0.02346   0.00139  -0.02208  -2.88872
   D75       -0.82324  -0.00005  -0.02239   0.00124  -0.02115  -0.84439
   D76       -0.88001   0.00040  -0.02422   0.00097  -0.02325  -0.90326
   D77        1.28633   0.00087  -0.02314   0.00131  -0.02183   1.26450
   D78       -2.95345   0.00056  -0.02207   0.00117  -0.02090  -2.97435
   D79       -2.99151  -0.00015  -0.02470   0.00100  -0.02370  -3.01521
   D80       -0.82517   0.00033  -0.02362   0.00134  -0.02228  -0.84745
   D81        1.21825   0.00002  -0.02255   0.00120  -0.02135   1.19689
   D82        3.13525   0.00067  -0.00550   0.00072  -0.00481   3.13044
   D83       -0.04855   0.00084   0.03058  -0.00019   0.03040  -0.01815
   D84        0.02341   0.00060  -0.01105   0.00067  -0.01039   0.01303
   D85        3.12280   0.00076   0.02503  -0.00024   0.02482  -3.13557
   D86        2.38289   0.00054   0.03480  -0.00091   0.03387   2.41676
   D87       -1.72980   0.00103   0.03453  -0.00087   0.03364  -1.69616
   D88        0.33542   0.00045   0.03538  -0.00104   0.03433   0.36974
   D89       -0.71857   0.00039   0.00043  -0.00005   0.00040  -0.71817
   D90        1.45193   0.00087   0.00016  -0.00001   0.00017   1.45210
   D91       -2.76604   0.00029   0.00102  -0.00018   0.00086  -2.76519
   D92        1.03501   0.00012   0.00291  -0.00003   0.00288   1.03789
   D93       -1.11382   0.00013   0.00274  -0.00007   0.00267  -1.11115
   D94       -3.08879   0.00008   0.00246  -0.00002   0.00243  -3.08636
   D95       -1.11135  -0.00024   0.00168  -0.00001   0.00168  -1.10967
   D96        3.02301  -0.00023   0.00151  -0.00005   0.00146   3.02447
   D97        1.04804  -0.00027   0.00123   0.00000   0.00123   1.04927
   D98        3.07924   0.00014   0.00161   0.00011   0.00172   3.08096
   D99        0.93042   0.00014   0.00143   0.00007   0.00150   0.93192
   D100      -1.04455   0.00010   0.00115   0.00012   0.00127  -1.04329
   D101       1.11656   0.00025   0.02590  -0.00083   0.02507   1.14162
   D102      -1.00878   0.00008   0.02895  -0.00112   0.02783  -0.98095
   D103      -3.02073  -0.00022   0.02671  -0.00105   0.02566  -2.99507
   D104      -3.02061   0.00033   0.02492  -0.00077   0.02415  -2.99646
   D105       1.13724   0.00016   0.02797  -0.00106   0.02691   1.16415
   D106      -0.87471  -0.00014   0.02573  -0.00098   0.02474  -0.84997
   D107      -0.93646   0.00042   0.02534  -0.00079   0.02456  -0.91191
   D108      -3.06180   0.00025   0.02839  -0.00108   0.02732  -3.03448
   D109       1.20944  -0.00005   0.02616  -0.00100   0.02515   1.23459
   D110      -1.64077  -0.00001  -0.00246   0.00008  -0.00238  -1.64315
   D111       1.50840   0.00000  -0.00217   0.00012  -0.00205   1.50635
   D112       0.49452   0.00005  -0.00197   0.00012  -0.00185   0.49267
   D113      -2.63950   0.00006  -0.00168   0.00017  -0.00151  -2.64101
   D114       2.49586   0.00001  -0.00207   0.00006  -0.00200   2.49386
   D115      -0.63815   0.00002  -0.00178   0.00011  -0.00167  -0.63982
   D116       3.13939   0.00001   0.00033   0.00002   0.00035   3.13974
   D117      -0.01827   0.00000   0.00062  -0.00002   0.00061  -0.01767
   D118      -0.00970   0.00000   0.00004  -0.00003   0.00002  -0.00968
   D119       3.11582  -0.00001   0.00034  -0.00006   0.00027   3.11610
   D120      -3.13899   0.00000  -0.00028  -0.00001  -0.00029  -3.13928
   D121       0.01025   0.00000  -0.00070   0.00002  -0.00068   0.00957
   D122       0.01014   0.00001   0.00001   0.00003   0.00005   0.01018
   D123      -3.12380   0.00001  -0.00041   0.00007  -0.00035  -3.12415
   D124       0.00179   0.00000  -0.00003   0.00000  -0.00003   0.00176
   D125       3.13870  -0.00001  -0.00002  -0.00003  -0.00005   3.13866
   D126      -3.12381   0.00000  -0.00031   0.00003  -0.00028  -3.12409
   D127       0.01310  -0.00001  -0.00031   0.00001  -0.00030   0.01280
   D128       0.00572   0.00000  -0.00005   0.00002  -0.00003   0.00570
   D129       3.14135  -0.00001   0.00008  -0.00002   0.00006   3.14141
   D130      -3.13118   0.00002  -0.00005   0.00004  -0.00001  -3.13118
   D131       0.00445   0.00001   0.00007   0.00001   0.00008   0.00453
   D132      -0.00528   0.00000   0.00010  -0.00001   0.00009  -0.00519
   D133       3.13340  -0.00001   0.00022  -0.00004   0.00019   3.13359
   D134      -3.14092   0.00001  -0.00002   0.00003   0.00001  -3.14091
   D135      -0.00223   0.00000   0.00010   0.00000   0.00010  -0.00213
   D136      -0.00267   0.00000  -0.00009  -0.00001  -0.00010  -0.00278
   D137       3.13130   0.00000   0.00034  -0.00005   0.00029   3.13159
   D138      -3.14136   0.00000  -0.00021   0.00001  -0.00020  -3.14156
   D139      -0.00739   0.00000   0.00022  -0.00002   0.00020  -0.00720
   D140      -1.85305   0.00010   0.01316   0.00013   0.01329  -1.83976
   D141       2.44784  -0.00056   0.01001   0.00005   0.01006   2.45790
   D142       0.23716  -0.00030   0.01193   0.00009   0.01201   0.24918
   D143       0.29055   0.00013   0.01019   0.00031   0.01049   0.30104
   D144      -1.69174  -0.00053   0.00704   0.00022   0.00726  -1.68448
   D145       2.38076  -0.00027   0.00896   0.00026   0.00921   2.38998
   D146       2.30077   0.00059   0.01196   0.00035   0.01230   2.31307
   D147       0.31847  -0.00008   0.00881   0.00026   0.00907   0.32754
   D148      -1.89221   0.00018   0.01073   0.00030   0.01103  -1.88118
   D149       1.19574  -0.00060   0.15472  -0.00439   0.15032   1.34606
   D150      -2.95304   0.00075   0.15274  -0.00436   0.14842  -2.80462
   D151      -0.92131   0.00011   0.15773  -0.00451   0.15319  -0.76812
   D152      -0.96047   0.00016  -0.02578   0.00022  -0.02555  -0.98603
   D153      -3.12390   0.00081  -0.02196   0.00004  -0.02191   3.13737
   D154       1.16290   0.00053  -0.02461   0.00018  -0.02443   1.13847
   D155      -3.01819  -0.00058  -0.02150  -0.00001  -0.02152  -3.03971
   D156       1.10156   0.00007  -0.01767  -0.00019  -0.01788   1.08369
   D157      -0.89482  -0.00021  -0.02033  -0.00006  -0.02040  -0.91522
   D158       1.25643  -0.00019  -0.02822   0.00025  -0.02796   1.22847
   D159      -0.90700   0.00046  -0.02439   0.00007  -0.02432  -0.93132
   D160      -2.90338   0.00018  -0.02705   0.00020  -0.02684  -2.93022
   D161       2.94694   0.00055   0.00778   0.00002   0.00780   2.95475
   D162      -1.19640   0.00058   0.00807   0.00012   0.00819  -1.18820
   D163       0.80727   0.00062   0.00839   0.00013   0.00853   0.81580
   D164      -1.21496  -0.00032   0.00714   0.00001   0.00715  -1.20781
   D165       0.92489  -0.00029   0.00743   0.00011   0.00754   0.93243
   D166       2.92855  -0.00025   0.00775   0.00013   0.00787   2.93643
   D167       0.83007  -0.00005   0.00688   0.00002   0.00690   0.83697
   D168       2.96992  -0.00002   0.00717   0.00012   0.00729   2.97721
   D169      -1.30960   0.00002   0.00749   0.00013   0.00763  -1.30198
   D170       1.15310  -0.00076  -0.02358   0.00113  -0.02245   1.13065
   D171      -1.27886  -0.00015  -0.02779   0.00092  -0.02687  -1.30573
   D172      -1.00495  -0.00068  -0.02157   0.00105  -0.02052  -1.02547
   D173       2.84628  -0.00007  -0.02578   0.00084  -0.02494   2.82134
   D174      -3.09316  -0.00060  -0.02142   0.00106  -0.02037  -3.11353
   D175       0.75807   0.00001  -0.02564   0.00084  -0.02479   0.73327
   D176       1.65474  -0.00003   0.00135   0.00066   0.00202   1.65676
   D177      -1.48864  -0.00003   0.00124   0.00062   0.00186  -1.48678
   D178      -0.48579   0.00002   0.00214   0.00052   0.00266  -0.48313
   D179       2.65402   0.00002   0.00202   0.00047   0.00250   2.65651
   D180      -2.49835   0.00004   0.00123   0.00058   0.00182  -2.49653
   D181       0.64146   0.00003   0.00112   0.00054   0.00165   0.64311
   D182       3.13762  -0.00001  -0.00040  -0.00004  -0.00044   3.13719
   D183      -0.01024  -0.00003  -0.00083  -0.00003  -0.00086  -0.01110
   D184      -0.00219  -0.00001  -0.00028   0.00000  -0.00028  -0.00247
   D185       3.13313  -0.00002  -0.00071   0.00001  -0.00070   3.13243
   D186      -3.13714   0.00001   0.00035   0.00003   0.00038  -3.13676
   D187       0.00487   0.00001   0.00032   0.00003   0.00035   0.00522
   D188       0.00267   0.00001   0.00023  -0.00001   0.00022   0.00288
   D189      -3.13851   0.00001   0.00020  -0.00001   0.00019  -3.13832
   D190      -0.00003   0.00000   0.00013   0.00001   0.00014   0.00011
   D191       3.14061   0.00000   0.00012   0.00001   0.00013   3.14073
   D192      -3.13530   0.00002   0.00056   0.00000   0.00056  -3.13474
   D193       0.00533   0.00002   0.00054   0.00000   0.00055   0.00588
   D194       0.00178   0.00000   0.00007  -0.00001   0.00006   0.00184
   D195      -3.14060   0.00000   0.00004   0.00000   0.00004  -3.14056
   D196      -3.13886   0.00001   0.00009  -0.00001   0.00007  -3.13878
   D197       0.00195   0.00000   0.00006  -0.00001   0.00005   0.00200
   D198      -0.00130   0.00000  -0.00012   0.00000  -0.00012  -0.00142
   D199       3.14016   0.00000  -0.00010   0.00001  -0.00009   3.14007
   D200       3.14108   0.00000  -0.00009  -0.00001  -0.00010   3.14098
   D201      -0.00065   0.00000  -0.00006   0.00000  -0.00007  -0.00072
   D202      -0.00093   0.00000  -0.00003   0.00001  -0.00002  -0.00094
   D203       3.14026   0.00000   0.00000   0.00001   0.00001   3.14026
   D204       3.14080   0.00000  -0.00005   0.00001  -0.00005   3.14075
   D205      -0.00120   0.00000  -0.00003   0.00001  -0.00002  -0.00123
   D206       0.58588  -0.00022  -0.00124  -0.00043  -0.00167   0.58422
   D207      -2.60922   0.00115   0.00188  -0.00062   0.00126  -2.60796
   D208       2.99889  -0.00090   0.00328  -0.00023   0.00305   3.00194
   D209      -0.19622   0.00048   0.00640  -0.00043   0.00598  -0.19024
   D210       3.10751  -0.00182  -0.00530  -0.00037  -0.00567   3.10185
   D211      -0.08291  -0.00058  -0.00251  -0.00054  -0.00305  -0.08596
   D212      -1.15615   0.00050   0.00219  -0.00016   0.00203  -1.15412
   D213       3.02984   0.00031   0.00149  -0.00022   0.00127   3.03111
   D214       1.00496  -0.00019   0.00179  -0.00025   0.00154   1.00650
   D215      -2.06718  -0.00008   0.00755   0.00077   0.00832  -2.05886
   D216       1.05384  -0.00042   0.00744   0.00041   0.00785   1.06169
   D217      -0.11177  -0.00014   0.00831   0.00081   0.00912  -0.10265
   D218       3.00925  -0.00047   0.00820   0.00045   0.00865   3.01790
   D219       2.10253   0.00038   0.00734   0.00089   0.00823   2.11076
   D220      -1.05964   0.00004   0.00724   0.00052   0.00776  -1.05188
   D221       3.13306  -0.00039   0.00120  -0.00008   0.00112   3.13418
   D222      -0.02415  -0.00007   0.00341  -0.00023   0.00318  -0.02097
   D223       0.01038  -0.00006   0.00130   0.00026   0.00156   0.01194
   D224       3.13636   0.00026   0.00351   0.00011   0.00362   3.13998
   D225      -3.14140   0.00041  -0.00054  -0.00001  -0.00055   3.14124
   D226      -0.01644   0.00015  -0.00063  -0.00031  -0.00094  -0.01738
   D227       0.00463  -0.00010  -0.00147  -0.00003  -0.00150   0.00313
   D228      -3.12293  -0.00039  -0.00346   0.00010  -0.00335  -3.12628
   D229      -0.01774   0.00022   0.00094  -0.00022   0.00072  -0.01702
   D230      -3.11691   0.00002  -0.00046   0.00019  -0.00027  -3.11718
   D231       0.02013  -0.00022  -0.00019   0.00031   0.00012   0.02025
   D232       3.12102  -0.00002   0.00116  -0.00008   0.00107   3.12209
   D233      -0.86015  -0.00007  -0.04301  -0.00039  -0.04340  -0.90354
   D234       1.23563  -0.00010  -0.04541  -0.00045  -0.04586   1.18977
   D235      -2.95025  -0.00007  -0.04320  -0.00040  -0.04360  -2.99385
   D236      -3.02464  -0.00013  -0.04296  -0.00060  -0.04356  -3.06821
   D237      -0.92887  -0.00016  -0.04537  -0.00066  -0.04602  -0.97489
   D238       1.16844  -0.00012  -0.04316  -0.00061  -0.04376   1.12468
   D239       1.19161  -0.00010  -0.04432  -0.00051  -0.04483   1.14678
   D240      -2.99580  -0.00013  -0.04672  -0.00056  -0.04729  -3.04309
   D241      -0.89849  -0.00010  -0.04452  -0.00051  -0.04503  -0.94352
   D242       2.95320  -0.00010   0.01007   0.00028   0.01035   2.96355
   D243      -1.25597   0.00001   0.00964   0.00045   0.01009  -1.24588
   D244       0.87479  -0.00008   0.00946   0.00030   0.00977   0.88455
   D245      -1.14250   0.00006   0.01025   0.00049   0.01074  -1.13176
   D246       0.93151   0.00017   0.00983   0.00066   0.01049   0.94200
   D247       3.06226   0.00009   0.00965   0.00051   0.01016   3.07242
   D248       0.92855   0.00005   0.00987   0.00037   0.01024   0.93879
   D249       3.00256   0.00016   0.00945   0.00054   0.00999   3.01255
   D250      -1.14987   0.00008   0.00927   0.00039   0.00966  -1.14021
   D251      -0.00117   0.00003   0.00084   0.00014   0.00097  -0.00020
   D252       3.12946   0.00000   0.00190  -0.00014   0.00177   3.13122
         Item               Value     Threshold  Converged?
 Maximum Force            0.003761     0.000450     NO 
 RMS     Force            0.000430     0.000300     NO 
 Maximum Displacement     0.374428     0.001800     NO 
 RMS     Displacement     0.052838     0.001200     NO 
 Predicted change in Energy=-1.576321D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.851261   -1.905340    0.903138
      2          6           0       -9.323584   -0.842204   -0.064945
      3          6           0       -9.997118    0.515475    0.158009
      4          6           0       -7.838169   -0.711954    0.060593
      5          7           0       -6.950992   -0.922561   -0.881103
      6          6           0       -5.621814   -0.710084   -0.428761
      7          6           0       -4.506433   -0.928554   -1.412522
      8          7           0       -3.919618    0.334996   -1.929274
      9          6           0       -4.810123    1.075071   -2.866417
     10          6           0       -3.099929    1.151669   -1.107257
     11          8           0       -2.919622    2.341231   -1.345713
     12          7           0       -2.440804    0.526683   -0.004915
     13          6           0       -1.312492    1.281929    0.587861
     14          6           0       -0.022364    1.044063   -0.225718
     15          8           0        0.224641   -0.006780   -0.809031
     16          7           0        0.880705    2.099447   -0.237638
     17          6           0        2.175742    2.011270   -0.968235
     18          6           0        2.458820    3.342604   -1.699413
     19          6           0        2.540872    4.542118   -0.796866
     20          6           0        1.402625    5.334183   -0.577398
     21          6           0        1.474674    6.448582    0.262649
     22          6           0        2.679987    6.782697    0.887556
     23          6           0        3.817655    6.000631    0.663644
     24          6           0        3.751859    4.885536   -0.175747
     25          6           0        3.308809    1.622465    0.003658
     26          6           0        3.108026    0.209594    0.560937
     27          8           0        2.659490    0.308537    1.930191
     28          6           0        4.407324   -0.637736    0.706617
     29          6           0        5.158370   -0.760675   -0.628571
     30          6           0        6.528544   -1.350092   -0.439197
     31          6           0        6.726847   -2.729040   -0.608403
     32          6           0        7.999733   -3.277772   -0.438151
     33          6           0        9.080921   -2.457084   -0.098685
     34          6           0        8.884238   -1.083571    0.072455
     35          6           0        7.612468   -0.528090   -0.096024
     36          7           0        4.031105   -1.975317    1.265379
     37          6           0        3.222020   -2.817551    0.498372
     38          8           0        3.179582   -2.947073   -0.715170
     39          8           0        2.448071   -3.600917    1.344616
     40          6           0        1.502496   -4.506801    0.690847
     41          6           0        0.458252   -3.736450   -0.011117
     42          6           0       -0.895845   -3.699033    0.181369
     43          7           0       -1.604293   -2.831695   -0.675730
     44          6           0       -0.794042   -2.215747   -1.517951
     45         16           0        0.900036   -2.636790   -1.300206
     46          6           0       -1.133973    0.851352    2.073436
     47          6           0       -0.591863   -0.571006    2.213311
     48          6           0       -0.234552    1.846962    2.811354
     49          6           0       -5.504851   -0.328720    0.877269
     50         16           0       -7.079230   -0.222330    1.602092
     51          1           0      -10.924628   -2.071494    0.753147
     52          1           0       -9.346891   -2.868569    0.754305
     53          1           0       -9.712673   -1.620585    1.952810
     54          1           0       -9.549859   -1.180382   -1.116753
     55          1           0       -9.870053    0.880218    1.184226
     56          1           0       -9.590399    1.280585   -0.515123
     57          1           0      -11.075075    0.452228   -0.031548
     58          1           0       -3.705036   -1.563330   -0.954697
     59          1           0       -4.879739   -1.514136   -2.291375
     60          1           0       -4.899841    0.493436   -3.798431
     61          1           0       -4.372504    2.061213   -3.112772
     62          1           0       -5.819369    1.238854   -2.453777
     63          1           0       -2.287581   -0.491043   -0.042190
     64          1           0       -1.585641    2.378988    0.553199
     65          1           0        0.688571    2.974273    0.247259
     66          1           0        2.072926    1.200913   -1.748248
     67          1           0        1.668093    3.499277   -2.467463
     68          1           0        3.397282    3.237904   -2.283367
     69          1           0        0.462434    5.091760   -1.072704
     70          1           0        0.588287    7.060680    0.426551
     71          1           0        2.734434    7.650819    1.541212
     72          1           0        4.759959    6.262806    1.143207
     73          1           0        4.644532    4.289007   -0.350950
     74          1           0        3.367847    2.340801    0.849790
     75          1           0        4.284110    1.708198   -0.516669
     76          1           0        2.339305   -0.351406   -0.030120
     77          1           0        1.694953    0.550441    1.963067
     78          1           0        5.074342   -0.162561    1.478101
     79          1           0        4.567629   -1.381873   -1.346337
     80          1           0        5.229245    0.238983   -1.108073
     81          1           0        5.881234   -3.368349   -0.866867
     82          1           0        8.150076   -4.348150   -0.569369
     83          1           0       10.071118   -2.887116    0.032276
     84          1           0        9.723443   -0.443333    0.337920
     85          1           0        7.468452    0.540453    0.040205
     86          1           0        3.806911   -1.939012    2.271935
     87          1           0        1.122460   -5.073937    1.567141
     88          1           0        2.073415   -5.173194    0.012919
     89          1           0       -1.470382   -4.267194    0.905091
     90          1           0       -1.104300   -1.484343   -2.258729
     91          1           0       -2.154656    0.889233    2.539085
     92          1           0       -1.176582   -1.296523    1.631999
     93          1           0        0.449758   -0.664278    1.866910
     94          1           0       -0.614500   -0.906953    3.256695
     95          1           0       -0.250142    1.654454    3.892535
     96          1           0        0.818815    1.774529    2.497315
     97          1           0       -0.558091    2.884198    2.671980
     98          1           0       -4.605815   -0.103602    1.428174
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0819804      0.0288788      0.0233519
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.2694454708 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258457182426     A.U. after   19 cycles
             Convg  =    0.5659D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005115    0.000012183    0.000030466
      2        6          -0.000016525    0.000019672   -0.000043599
      3        6          -0.000037894    0.000005311    0.000067369
      4        6           0.000172220   -0.000213508    0.000367662
      5        7          -0.000199495   -0.000043361   -0.000064817
      6        6          -0.000153929   -0.000133116   -0.000074873
      7        6           0.000037505   -0.000058033   -0.000195484
      8        7           0.000113068   -0.000150415    0.000277911
      9        6          -0.000014932    0.000134149    0.000051453
     10        6           0.000011148   -0.000237644    0.000455982
     11        8          -0.000174206    0.000208156    0.000248202
     12        7          -0.000220412   -0.000584168   -0.000742221
     13        6           0.000162585    0.000190401   -0.000216624
     14        6           0.000012380    0.000364559    0.000288263
     15        8           0.000254168   -0.000046301    0.000017570
     16        7          -0.000132578   -0.000275986   -0.000234815
     17        6           0.000422654   -0.000081754   -0.000205795
     18        6          -0.000039281    0.000231183    0.000091884
     19        6          -0.000045177   -0.000105395    0.000071671
     20        6           0.000074279   -0.000097182    0.000017679
     21        6           0.000044883    0.000099188   -0.000003662
     22        6          -0.000086457   -0.000039635    0.000027993
     23        6           0.000026597   -0.000060997   -0.000003227
     24        6          -0.000001242    0.000103460   -0.000045794
     25        6          -0.000065419   -0.000390199   -0.000087812
     26        6          -0.000213539   -0.000309220    0.000211011
     27        8          -0.000351597    0.000284102    0.000302079
     28        6           0.000660706    0.000176526    0.000025489
     29        6          -0.000131383    0.000271960    0.000124644
     30        6          -0.000044391   -0.000088162   -0.000082339
     31        6           0.000058924    0.000090565   -0.000031296
     32        6          -0.000104289    0.000001720    0.000031229
     33        6           0.000014813    0.000091751    0.000030510
     34        6           0.000123594   -0.000020566   -0.000051781
     35        6          -0.000131666   -0.000048862    0.000032154
     36        7          -0.000074542    0.000017275    0.000164647
     37        6          -0.000116891    0.000095627   -0.000576865
     38        8           0.000222843   -0.000283083    0.000148846
     39        8           0.000121934   -0.000150019    0.000419095
     40        6          -0.000101757   -0.000262866    0.000671070
     41        6           0.000039431   -0.000020184   -0.001067127
     42        6           0.000235924    0.000300580    0.000205531
     43        7          -0.000374123    0.000078502   -0.000323821
     44        6           0.000127287   -0.000377401    0.000127100
     45       16           0.000102974    0.000067270    0.000824097
     46        6          -0.000240263    0.000356655    0.000026210
     47        6          -0.000350335   -0.000192259   -0.000055373
     48        6           0.000366191   -0.000098993    0.000048032
     49        6           0.000225653    0.000041124    0.000078618
     50       16          -0.000173231    0.000206882   -0.000309117
     51        1          -0.000000962    0.000023080   -0.000020932
     52        1          -0.000018311   -0.000027737   -0.000003203
     53        1           0.000004679   -0.000020495   -0.000026890
     54        1           0.000007802   -0.000002097   -0.000055782
     55        1           0.000002874    0.000003592   -0.000004833
     56        1          -0.000020167   -0.000008248   -0.000026784
     57        1           0.000042873    0.000012664    0.000010009
     58        1           0.000043735    0.000025734   -0.000002601
     59        1          -0.000055184    0.000181699   -0.000030510
     60        1          -0.000020836   -0.000007000   -0.000021105
     61        1           0.000014814   -0.000023663   -0.000055202
     62        1          -0.000022221   -0.000021251    0.000027807
     63        1          -0.000062408    0.000106615    0.000152265
     64        1          -0.000013961    0.000255403    0.000154482
     65        1          -0.000084032    0.000111139    0.000071694
     66        1          -0.000119044    0.000192646    0.000060152
     67        1          -0.000026807   -0.000046770   -0.000055914
     68        1           0.000010462   -0.000024492    0.000015417
     69        1          -0.000010434    0.000006113   -0.000003116
     70        1          -0.000011575   -0.000010577   -0.000011732
     71        1           0.000023461   -0.000007042   -0.000006231
     72        1           0.000007939    0.000011171    0.000000195
     73        1           0.000025050   -0.000016676    0.000002007
     74        1          -0.000021832    0.000245047   -0.000119487
     75        1           0.000085851    0.000052384   -0.000003546
     76        1           0.000138112    0.000187267    0.000013770
     77        1           0.000200262   -0.000036071   -0.000183467
     78        1           0.000153608   -0.000039184    0.000039912
     79        1           0.000113772    0.000085468   -0.000002605
     80        1          -0.000167076   -0.000104786    0.000049214
     81        1          -0.000033398   -0.000028575    0.000035129
     82        1           0.000016778   -0.000012290   -0.000012286
     83        1          -0.000019457   -0.000016380    0.000001569
     84        1          -0.000012386    0.000008478    0.000008515
     85        1           0.000038125    0.000041019    0.000015068
     86        1          -0.000239434    0.000016310   -0.000087256
     87        1          -0.000281263   -0.000010343   -0.000790341
     88        1           0.000017731    0.000185141    0.000009761
     89        1           0.000010854   -0.000223371    0.000022060
     90        1          -0.000030219   -0.000016301   -0.000014348
     91        1           0.000214229    0.000218654    0.000064607
     92        1           0.000072170    0.000079196   -0.000020970
     93        1           0.000322835    0.000002107   -0.000109751
     94        1           0.000068050   -0.000194639   -0.000153930
     95        1          -0.000036284   -0.000081661    0.000119930
     96        1          -0.000297533   -0.000100013   -0.000067356
     97        1          -0.000062899   -0.000002036   -0.000041423
     98        1           0.000000566   -0.000048725   -0.000009984
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001067127 RMS     0.000187756

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002549172 RMS     0.000276155
 Search for a local minimum.
 Step number  70 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   66   67   68   69   70
 DE= -1.19D-04 DEPred=-1.58D-04 R= 7.58D-01
 SS=  1.41D+00  RLast= 3.72D-01 DXNew= 6.2600D-01 1.1167D+00
 Trust test= 7.58D-01 RLast= 3.72D-01 DXMaxT set to 6.26D-01
     Eigenvalues ---    0.00097   0.00158   0.00177   0.00214   0.00269
     Eigenvalues ---    0.00334   0.00371   0.00439   0.00557   0.00584
     Eigenvalues ---    0.00664   0.00734   0.00806   0.00835   0.00896
     Eigenvalues ---    0.00985   0.00990   0.01098   0.01183   0.01289
     Eigenvalues ---    0.01302   0.01390   0.01424   0.01449   0.01535
     Eigenvalues ---    0.01573   0.01642   0.01697   0.01749   0.01760
     Eigenvalues ---    0.01927   0.02080   0.02092   0.02113   0.02194
     Eigenvalues ---    0.02203   0.02221   0.02253   0.02258   0.02269
     Eigenvalues ---    0.02290   0.02330   0.02374   0.02404   0.02409
     Eigenvalues ---    0.02415   0.02447   0.02482   0.02485   0.02523
     Eigenvalues ---    0.02527   0.02528   0.02571   0.02669   0.02706
     Eigenvalues ---    0.02862   0.02987   0.03357   0.03753   0.03933
     Eigenvalues ---    0.04014   0.04127   0.04173   0.04289   0.04440
     Eigenvalues ---    0.04588   0.04741   0.04940   0.04971   0.05077
     Eigenvalues ---    0.05145   0.05194   0.05250   0.05363   0.05387
     Eigenvalues ---    0.05449   0.05514   0.05525   0.05582   0.05621
     Eigenvalues ---    0.05671   0.05718   0.05833   0.05859   0.05874
     Eigenvalues ---    0.05975   0.06035   0.06085   0.06118   0.06279
     Eigenvalues ---    0.06507   0.06769   0.06911   0.07055   0.07084
     Eigenvalues ---    0.07528   0.08164   0.08316   0.08582   0.08824
     Eigenvalues ---    0.09307   0.09663   0.09885   0.10325   0.11423
     Eigenvalues ---    0.12115   0.12897   0.13131   0.13318   0.13464
     Eigenvalues ---    0.13786   0.14131   0.14422   0.15539   0.15694
     Eigenvalues ---    0.15792   0.15851   0.15959   0.15977   0.15981
     Eigenvalues ---    0.15985   0.15994   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16002   0.16004   0.16008   0.16015   0.16030
     Eigenvalues ---    0.16038   0.16081   0.16106   0.16125   0.16169
     Eigenvalues ---    0.16232   0.16410   0.16701   0.16878   0.17254
     Eigenvalues ---    0.17804   0.17989   0.18193   0.18802   0.19004
     Eigenvalues ---    0.19720   0.19953   0.20157   0.20862   0.21742
     Eigenvalues ---    0.21859   0.22000   0.22001   0.22003   0.22035
     Eigenvalues ---    0.22179   0.22337   0.22610   0.23034   0.23444
     Eigenvalues ---    0.23487   0.23584   0.23696   0.23956   0.24294
     Eigenvalues ---    0.24370   0.24729   0.24821   0.24994   0.25081
     Eigenvalues ---    0.25207   0.25279   0.25707   0.26526   0.26920
     Eigenvalues ---    0.27778   0.29316   0.29674   0.29848   0.29909
     Eigenvalues ---    0.30042   0.30166   0.30277   0.30471   0.30650
     Eigenvalues ---    0.30722   0.30836   0.31311   0.31400   0.31427
     Eigenvalues ---    0.31478   0.31500   0.31660   0.31699   0.31800
     Eigenvalues ---    0.31953   0.32087   0.32299   0.32323   0.32576
     Eigenvalues ---    0.32589   0.32676   0.32716   0.32812   0.32882
     Eigenvalues ---    0.32927   0.33000   0.33062   0.33142   0.33159
     Eigenvalues ---    0.33199   0.33397   0.33511   0.33547   0.33674
     Eigenvalues ---    0.33721   0.33774   0.33887   0.33940   0.33972
     Eigenvalues ---    0.34042   0.34204   0.34238   0.34311   0.34362
     Eigenvalues ---    0.34476   0.34509   0.34548   0.34717   0.35445
     Eigenvalues ---    0.35901   0.36248   0.36313   0.36374   0.36516
     Eigenvalues ---    0.36633   0.36837   0.36961   0.37175   0.37302
     Eigenvalues ---    0.38500   0.38558   0.39373   0.40150   0.40936
     Eigenvalues ---    0.41373   0.41718   0.42491   0.42538   0.43281
     Eigenvalues ---    0.43363   0.44020   0.44709   0.45201   0.45452
     Eigenvalues ---    0.46284   0.47489   0.47824   0.48370   0.48438
     Eigenvalues ---    0.48623   0.49000   0.49247   0.49542   0.50253
     Eigenvalues ---    0.50789   0.51178   0.51264   0.51419   0.56364
     Eigenvalues ---    0.56468   0.58766   0.59599   0.63048   0.63271
     Eigenvalues ---    0.65198   0.69604   0.77843   0.80437   0.86501
     Eigenvalues ---    1.28851   1.97195   4.983431000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    70   69   68   67   66
 RFO step:  Lambda=-2.68960938D-05.
 DIIS coeffs:      0.95007      0.01217     -0.91017     -2.56134      3.50927
 Iteration  1 RMS(Cart)=  0.06808610 RMS(Int)=  0.00183108
 Iteration  2 RMS(Cart)=  0.00327736 RMS(Int)=  0.00002817
 Iteration  3 RMS(Cart)=  0.00000662 RMS(Int)=  0.00002803
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002803
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89436  -0.00003   0.00013  -0.00002   0.00012   2.89447
    R2        2.07201   0.00001  -0.00003   0.00000  -0.00003   2.07198
    R3        2.07384   0.00000  -0.00002   0.00002   0.00001   2.07384
    R4        2.07190   0.00000   0.00000   0.00000   0.00000   2.07191
    R5        2.89483  -0.00003  -0.00016  -0.00006  -0.00022   2.89460
    R6        2.82777  -0.00003   0.00005  -0.00007  -0.00002   2.82774
    R7        2.13118   0.00003   0.00012   0.00000   0.00012   2.13130
    R8        2.07208  -0.00001  -0.00001   0.00001  -0.00001   2.07207
    R9        2.07347   0.00003   0.00006  -0.00002   0.00005   2.07352
   R10        2.07175   0.00004   0.00018   0.00000   0.00018   2.07193
   R11        2.47708   0.00012   0.00052  -0.00001   0.00051   2.47759
   R12        3.37618  -0.00027  -0.00158  -0.00005  -0.00163   3.37455
   R13        2.68346  -0.00011  -0.00019  -0.00009  -0.00028   2.68318
   R14        2.84062  -0.00015  -0.00033  -0.00009  -0.00042   2.84020
   R15        2.58059   0.00000   0.00009  -0.00002   0.00008   2.58067
   R16        2.80797  -0.00028  -0.00086  -0.00031  -0.00117   2.80680
   R17        2.11682  -0.00004   0.00021   0.00002   0.00023   2.11705
   R18        2.11670   0.00018   0.00081   0.00008   0.00089   2.11759
   R19        2.81496  -0.00001  -0.00002  -0.00015  -0.00017   2.81479
   R20        2.68219  -0.00010   0.00061  -0.00039   0.00022   2.68240
   R21        2.08299   0.00001  -0.00008   0.00002  -0.00006   2.08293
   R22        2.09127   0.00005   0.00032   0.00001   0.00033   2.09160
   R23        2.08357  -0.00001  -0.00027  -0.00004  -0.00031   2.08326
   R24        2.31785  -0.00035  -0.00048   0.00010  -0.00038   2.31747
   R25        2.69921  -0.00071  -0.00235   0.00025  -0.00210   2.69711
   R26        2.79965  -0.00077  -0.00162   0.00038  -0.00124   2.79841
   R27        1.94617   0.00018   0.00081  -0.00005   0.00076   1.94694
   R28        2.91712  -0.00034  -0.00009   0.00015   0.00006   2.91718
   R29        2.94227  -0.00018  -0.00001  -0.00012  -0.00013   2.94214
   R30        2.13744  -0.00026  -0.00121   0.00011  -0.00110   2.13634
   R31        2.31870  -0.00018   0.00186  -0.00021   0.00166   2.32035
   R32        2.62496   0.00017  -0.00240   0.00012  -0.00228   2.62268
   R33        2.81478  -0.00025  -0.00023  -0.00017  -0.00039   2.81439
   R34        1.92470  -0.00014  -0.00007  -0.00008  -0.00015   1.92455
   R35        2.91974  -0.00011  -0.00028   0.00001  -0.00027   2.91947
   R36        2.91507   0.00013   0.00144  -0.00007   0.00137   2.91644
   R37        2.13436   0.00020   0.00031   0.00002   0.00033   2.13470
   R38        2.84098   0.00013   0.00055  -0.00002   0.00053   2.84151
   R39        2.10405  -0.00001  -0.00007   0.00002  -0.00005   2.10400
   R40        2.09809  -0.00002  -0.00005  -0.00001  -0.00006   2.09803
   R41        2.65312   0.00007   0.00025  -0.00001   0.00024   2.65336
   R42        2.65250  -0.00005  -0.00023  -0.00003  -0.00026   2.65224
   R43        2.64072  -0.00005  -0.00021  -0.00003  -0.00024   2.64049
   R44        2.05976   0.00000  -0.00002   0.00001  -0.00001   2.05975
   R45        2.64219   0.00006   0.00024  -0.00001   0.00023   2.64242
   R46        2.05903  -0.00001  -0.00006   0.00000  -0.00005   2.05898
   R47        2.64295  -0.00002  -0.00017  -0.00002  -0.00019   2.64276
   R48        2.05613   0.00001   0.00002   0.00000   0.00002   2.05615
   R49        2.64044   0.00006   0.00026   0.00000   0.00026   2.64071
   R50        2.05855  -0.00001  -0.00006  -0.00001  -0.00007   2.05848
   R51        2.05573  -0.00003  -0.00014  -0.00001  -0.00015   2.05558
   R52        2.89510   0.00021   0.00048  -0.00008   0.00041   2.89550
   R53        2.10043  -0.00026  -0.00028  -0.00022  -0.00051   2.09992
   R54        2.09521  -0.00008  -0.00131   0.00003  -0.00128   2.09393
   R55        2.72922  -0.00009  -0.00007  -0.00001  -0.00008   2.72914
   R56        2.94419  -0.00022  -0.00064   0.00011  -0.00052   2.94367
   R57        2.11700   0.00022   0.00067   0.00017   0.00085   2.11785
   R58        1.88019   0.00020   0.00158  -0.00014   0.00144   1.88163
   R59        2.90423   0.00016   0.00119  -0.00008   0.00110   2.90533
   R60        2.83010  -0.00055  -0.00012  -0.00002  -0.00014   2.82996
   R61        2.12617   0.00000  -0.00074  -0.00009  -0.00083   2.12533
   R62        2.84129   0.00008   0.00024   0.00002   0.00026   2.84155
   R63        2.11282   0.00011   0.00005  -0.00008  -0.00003   2.11279
   R64        2.09944  -0.00002  -0.00063   0.00003  -0.00060   2.09884
   R65        2.65199   0.00009   0.00006  -0.00001   0.00006   2.65204
   R66        2.65124  -0.00002   0.00018  -0.00006   0.00011   2.65136
   R67        2.63908   0.00005   0.00033  -0.00008   0.00026   2.63934
   R68        2.06195  -0.00003  -0.00051   0.00013  -0.00038   2.06157
   R69        2.64409  -0.00004  -0.00025   0.00005  -0.00021   2.64388
   R70        2.05757  -0.00002  -0.00007   0.00000  -0.00008   2.05750
   R71        2.64191   0.00007   0.00026  -0.00007   0.00019   2.64210
   R72        2.05500   0.00002   0.00005   0.00000   0.00006   2.05506
   R73        2.64180  -0.00007  -0.00031   0.00005  -0.00027   2.64153
   R74        2.05680   0.00000   0.00002  -0.00001   0.00001   2.05681
   R75        2.05371  -0.00002  -0.00004  -0.00001  -0.00005   2.05366
   R76        2.64040  -0.00057  -0.00043  -0.00028  -0.00071   2.63969
   R77        1.94993  -0.00016  -0.00173  -0.00001  -0.00174   1.94820
   R78        2.30768  -0.00033  -0.00057   0.00024  -0.00033   2.30735
   R79        2.62447  -0.00011   0.00042   0.00040   0.00082   2.62529
   R80        2.76582  -0.00035   0.00024   0.00006   0.00030   2.76612
   R81        2.78800   0.00021   0.00094   0.00004   0.00098   2.78897
   R82        2.09918  -0.00083  -0.00289   0.00006  -0.00283   2.09635
   R83        2.09548   0.00010   0.00045  -0.00001   0.00044   2.09592
   R84        2.58556   0.00013   0.00062  -0.00030   0.00032   2.58588
   R85        3.30900  -0.00076  -0.00335   0.00080  -0.00254   3.30646
   R86        2.66498   0.00009  -0.00025   0.00029   0.00004   2.66502
   R87        2.04987  -0.00003  -0.00027   0.00005  -0.00021   2.04966
   R88        2.49647  -0.00020  -0.00011  -0.00013  -0.00024   2.49622
   R89        3.32430  -0.00020  -0.00006   0.00004  -0.00002   3.32428
   R90        2.05274   0.00000   0.00019   0.00006   0.00025   2.05299
   R91        2.88859  -0.00043   0.00026   0.00012   0.00038   2.88898
   R92        2.89364   0.00028  -0.00033   0.00018  -0.00015   2.89349
   R93        2.12126   0.00024   0.00065   0.00007   0.00072   2.12198
   R94        2.07543   0.00009   0.00059  -0.00003   0.00056   2.07599
   R95        2.08185  -0.00028   0.00098   0.00000   0.00098   2.08283
   R96        2.07183  -0.00009  -0.00025   0.00015  -0.00010   2.07174
   R97        2.07548   0.00014  -0.00005  -0.00005  -0.00009   2.07539
   R98        2.08166   0.00032  -0.00006  -0.00006  -0.00012   2.08154
   R99        2.07006  -0.00001  -0.00042  -0.00003  -0.00044   2.06961
   R100       3.28147  -0.00016  -0.00080  -0.00011  -0.00091   3.28056
   R101       2.03744   0.00003   0.00043   0.00003   0.00045   2.03789
    A1        1.93477  -0.00001  -0.00003   0.00001  -0.00002   1.93475
    A2        1.94462  -0.00001  -0.00003  -0.00003  -0.00006   1.94456
    A3        1.96200  -0.00004  -0.00053   0.00000  -0.00053   1.96147
    A4        1.87376   0.00002   0.00011   0.00007   0.00018   1.87394
    A5        1.86927   0.00003   0.00046  -0.00001   0.00045   1.86972
    A6        1.87518   0.00002   0.00007  -0.00003   0.00003   1.87521
    A7        1.95166  -0.00001  -0.00017  -0.00001  -0.00018   1.95148
    A8        1.92771  -0.00003  -0.00087  -0.00005  -0.00093   1.92678
    A9        1.88833   0.00003   0.00033  -0.00007   0.00026   1.88858
   A10        1.92527   0.00003   0.00089   0.00010   0.00098   1.92625
   A11        1.88945  -0.00001  -0.00007   0.00002  -0.00005   1.88940
   A12        1.87917  -0.00001  -0.00009   0.00002  -0.00007   1.87910
   A13        1.96068   0.00001   0.00028  -0.00006   0.00022   1.96090
   A14        1.94523  -0.00002  -0.00009   0.00005  -0.00004   1.94519
   A15        1.93480   0.00001  -0.00003  -0.00001  -0.00004   1.93476
   A16        1.87470   0.00000   0.00009   0.00004   0.00013   1.87483
   A17        1.87020  -0.00001  -0.00034  -0.00005  -0.00039   1.86981
   A18        1.87405   0.00001   0.00007   0.00004   0.00011   1.87415
   A19        2.21129  -0.00008  -0.00108   0.00000  -0.00107   2.21022
   A20        2.11521   0.00016   0.00131   0.00004   0.00135   2.11656
   A21        1.95668  -0.00008  -0.00024  -0.00004  -0.00028   1.95640
   A22        1.96127   0.00005   0.00013   0.00001   0.00014   1.96141
   A23        2.05366  -0.00016  -0.00218  -0.00009  -0.00227   2.05139
   A24        2.01154  -0.00005  -0.00038   0.00003  -0.00035   2.01119
   A25        2.21798   0.00020   0.00255   0.00006   0.00261   2.22059
   A26        1.97909  -0.00023   0.00055  -0.00042   0.00013   1.97921
   A27        1.92381   0.00006  -0.00168   0.00002  -0.00166   1.92215
   A28        1.92003   0.00007   0.00096   0.00011   0.00106   1.92109
   A29        1.91928   0.00005   0.00126   0.00023   0.00149   1.92077
   A30        1.87896   0.00012   0.00047   0.00005   0.00052   1.87948
   A31        1.83678  -0.00005  -0.00165   0.00005  -0.00160   1.83518
   A32        1.98797  -0.00009  -0.00068   0.00004  -0.00064   1.98733
   A33        2.11290  -0.00004   0.00114   0.00029   0.00143   2.11433
   A34        2.00836   0.00016  -0.00006   0.00027   0.00020   2.00856
   A35        1.89488   0.00000   0.00073   0.00001   0.00074   1.89562
   A36        1.92450   0.00005  -0.00066   0.00005  -0.00061   1.92389
   A37        1.96661  -0.00006  -0.00007  -0.00022  -0.00029   1.96632
   A38        1.89038  -0.00002  -0.00018  -0.00002  -0.00020   1.89017
   A39        1.89687   0.00003   0.00084   0.00017   0.00101   1.89787
   A40        1.88906   0.00000  -0.00064   0.00002  -0.00062   1.88844
   A41        2.12979   0.00013  -0.00047  -0.00009  -0.00056   2.12923
   A42        2.05070  -0.00009   0.00012  -0.00007   0.00005   2.05075
   A43        2.10199  -0.00004   0.00029   0.00016   0.00044   2.10243
   A44        2.02325   0.00016   0.00202  -0.00033   0.00168   2.02494
   A45        2.06362  -0.00004   0.00124  -0.00045   0.00079   2.06442
   A46        1.98771  -0.00012   0.00064  -0.00021   0.00044   1.98815
   A47        1.92525  -0.00037  -0.00072   0.00043  -0.00028   1.92497
   A48        1.90510   0.00014   0.00023  -0.00007   0.00016   1.90526
   A49        1.87367   0.00008  -0.00016  -0.00010  -0.00025   1.87342
   A50        1.94382   0.00007  -0.00038  -0.00004  -0.00042   1.94340
   A51        1.91254   0.00023   0.00128  -0.00023   0.00105   1.91359
   A52        1.90197  -0.00014  -0.00026   0.00000  -0.00026   1.90171
   A53        2.15408  -0.00044  -0.00347   0.00056  -0.00290   2.15118
   A54        2.01617   0.00047   0.00236  -0.00062   0.00175   2.01791
   A55        2.11267  -0.00004   0.00122   0.00006   0.00128   2.11396
   A56        2.12289  -0.00052   0.00087   0.00024   0.00148   2.12437
   A57        2.12453   0.00024  -0.00193  -0.00009  -0.00165   2.12288
   A58        2.03574   0.00028  -0.00048  -0.00017  -0.00028   2.03547
   A59        1.91814   0.00014  -0.00205   0.00020  -0.00186   1.91628
   A60        1.92251  -0.00030   0.00274  -0.00028   0.00246   1.92497
   A61        1.87766   0.00002  -0.00057   0.00001  -0.00056   1.87710
   A62        1.96142   0.00034  -0.00077   0.00025  -0.00052   1.96090
   A63        1.88398   0.00002   0.00101   0.00013   0.00115   1.88512
   A64        1.89773  -0.00023  -0.00037  -0.00032  -0.00069   1.89704
   A65        1.99698  -0.00010  -0.00047   0.00001  -0.00046   1.99653
   A66        1.89397   0.00009   0.00098  -0.00010   0.00088   1.89485
   A67        1.89918   0.00003  -0.00010   0.00019   0.00009   1.89927
   A68        1.91837   0.00000  -0.00010   0.00001  -0.00009   1.91828
   A69        1.92289   0.00002  -0.00026  -0.00004  -0.00030   1.92259
   A70        1.82425  -0.00002   0.00001  -0.00009  -0.00008   1.82417
   A71        2.09408   0.00003  -0.00002  -0.00004  -0.00007   2.09401
   A72        2.10360  -0.00001   0.00009   0.00005   0.00014   2.10374
   A73        2.08548  -0.00002  -0.00007  -0.00001  -0.00008   2.08540
   A74        2.09679   0.00002   0.00007   0.00001   0.00008   2.09687
   A75        2.09764  -0.00002  -0.00025  -0.00001  -0.00026   2.09738
   A76        2.08864   0.00000   0.00018   0.00000   0.00018   2.08883
   A77        2.09866   0.00000  -0.00002   0.00000  -0.00002   2.09864
   A78        2.09034   0.00001   0.00019   0.00000   0.00018   2.09052
   A79        2.09418  -0.00001  -0.00017   0.00000  -0.00016   2.09401
   A80        2.08984  -0.00001  -0.00003  -0.00001  -0.00004   2.08980
   A81        2.09705  -0.00002  -0.00021   0.00000  -0.00021   2.09685
   A82        2.09627   0.00003   0.00024   0.00001   0.00025   2.09652
   A83        2.09917   0.00000   0.00002   0.00000   0.00002   2.09919
   A84        2.09276   0.00000   0.00008   0.00001   0.00009   2.09285
   A85        2.09125   0.00000  -0.00010  -0.00001  -0.00011   2.09114
   A86        2.09637   0.00001   0.00003   0.00001   0.00003   2.09641
   A87        2.09732   0.00001   0.00021   0.00000   0.00021   2.09753
   A88        2.08947  -0.00002  -0.00023  -0.00001  -0.00024   2.08923
   A89        1.94482  -0.00144  -0.00073  -0.00024  -0.00096   1.94385
   A90        1.93450   0.00049  -0.00148   0.00002  -0.00146   1.93305
   A91        1.90811   0.00031   0.00073   0.00011   0.00083   1.90895
   A92        1.90294   0.00043  -0.00119   0.00036  -0.00083   1.90210
   A93        1.93618   0.00050   0.00016   0.00012   0.00028   1.93645
   A94        1.83439  -0.00021   0.00266  -0.00036   0.00230   1.83669
   A95        1.89905   0.00014  -0.00710   0.00059  -0.00653   1.89252
   A96        2.01117   0.00095  -0.00259  -0.00007  -0.00266   2.00851
   A97        1.93889  -0.00049  -0.00116   0.00042  -0.00074   1.93815
   A98        1.77993  -0.00036   0.00854  -0.00061   0.00795   1.78788
   A99        1.89801   0.00008   0.00268  -0.00036   0.00235   1.90036
   A100       1.92755  -0.00032   0.00041  -0.00007   0.00036   1.92792
   A101       1.92736  -0.00021  -0.00382  -0.00021  -0.00403   1.92333
   A102       1.94961   0.00035  -0.00056  -0.00010  -0.00066   1.94895
   A103       1.88717  -0.00052   0.00337  -0.00062   0.00275   1.88993
   A104       1.90586   0.00016   0.00042   0.00024   0.00067   1.90653
   A105       1.95569  -0.00023  -0.00585   0.00104  -0.00482   1.95087
   A106       1.91748  -0.00008   0.00167  -0.00037   0.00130   1.91878
   A107       1.84450   0.00032   0.00115  -0.00020   0.00095   1.84545
   A108       1.94688   0.00015   0.00103   0.00013   0.00116   1.94804
   A109       1.92194  -0.00011  -0.00178   0.00026  -0.00152   1.92042
   A110       1.91152   0.00002   0.00018  -0.00029  -0.00011   1.91141
   A111       1.92255  -0.00001   0.00075  -0.00007   0.00068   1.92323
   A112       1.92726  -0.00012  -0.00132  -0.00021  -0.00153   1.92573
   A113       1.83026   0.00006   0.00112   0.00018   0.00130   1.83156
   A114       2.09299  -0.00004   0.00032   0.00001   0.00033   2.09331
   A115       2.10039   0.00005  -0.00014  -0.00002  -0.00016   2.10023
   A116       2.08981  -0.00001  -0.00019   0.00001  -0.00017   2.08964
   A117       2.09460   0.00000   0.00009   0.00000   0.00009   2.09469
   A118       2.08836   0.00003   0.00055  -0.00010   0.00045   2.08882
   A119       2.10020  -0.00003  -0.00064   0.00009  -0.00055   2.09966
   A120       2.09834  -0.00003  -0.00005   0.00000  -0.00005   2.09829
   A121       2.09143   0.00001  -0.00011   0.00001  -0.00009   2.09133
   A122       2.09342   0.00002   0.00016  -0.00001   0.00015   2.09356
   A123       2.09122   0.00001  -0.00003   0.00000  -0.00003   2.09119
   A124       2.09541   0.00001   0.00022  -0.00002   0.00020   2.09561
   A125       2.09656  -0.00002  -0.00020   0.00003  -0.00017   2.09639
   A126       2.09857   0.00003   0.00007   0.00000   0.00007   2.09864
   A127       2.09358  -0.00003  -0.00027   0.00004  -0.00023   2.09335
   A128       2.09104   0.00000   0.00020  -0.00004   0.00016   2.09120
   A129       2.09383   0.00000   0.00010  -0.00001   0.00009   2.09392
   A130       2.09942  -0.00006  -0.00055   0.00007  -0.00048   2.09895
   A131       2.08993   0.00005   0.00044  -0.00006   0.00038   2.09031
   A132       2.07034  -0.00255  -0.00376   0.00029  -0.00347   2.06687
   A133       1.96829   0.00095   0.00417  -0.00037   0.00380   1.97209
   A134       2.01626   0.00093   0.00309   0.00005   0.00314   2.01940
   A135       2.25180  -0.00044  -0.00163   0.00011  -0.00152   2.25028
   A136       1.90521   0.00088   0.00067   0.00034   0.00101   1.90622
   A137       2.12508  -0.00040   0.00113  -0.00048   0.00065   2.12573
   A138       2.02302  -0.00248  -0.00213  -0.00050  -0.00263   2.02040
   A139       1.92477  -0.00170  -0.00054   0.00001  -0.00053   1.92424
   A140       1.75652   0.00062   0.00093   0.00020   0.00113   1.75765
   A141       1.88853   0.00061   0.00101   0.00005   0.00106   1.88958
   A142       1.98206   0.00047   0.00083  -0.00001   0.00082   1.98288
   A143       1.96852   0.00018  -0.00093  -0.00009  -0.00102   1.96750
   A144       1.93008  -0.00016  -0.00107  -0.00011  -0.00118   1.92890
   A145       2.27553   0.00058  -0.00073   0.00094   0.00022   2.27575
   A146       2.09394  -0.00075  -0.00009  -0.00083  -0.00092   2.09302
   A147       1.91356   0.00017   0.00079  -0.00010   0.00070   1.91425
   A148       2.01362  -0.00030  -0.00103   0.00006  -0.00097   2.01264
   A149       2.21896   0.00012   0.00010   0.00019   0.00028   2.21924
   A150       2.05054   0.00019   0.00099  -0.00026   0.00073   2.05127
   A151       1.94562   0.00011   0.00050   0.00006   0.00056   1.94618
   A152       1.98246  -0.00010  -0.00074   0.00007  -0.00068   1.98179
   A153       2.18159   0.00009   0.00033   0.00029   0.00063   2.18222
   A154       2.11838   0.00001   0.00045  -0.00031   0.00014   2.11851
   A155       1.56926   0.00013   0.00047  -0.00008   0.00039   1.56966
   A156       1.96633   0.00005  -0.00007   0.00004  -0.00003   1.96630
   A157       1.92553   0.00001  -0.00083  -0.00009  -0.00093   1.92460
   A158       1.85690  -0.00003  -0.00041   0.00014  -0.00028   1.85662
   A159       1.93115  -0.00011   0.00131   0.00067   0.00198   1.93313
   A160       1.89222   0.00005  -0.00202  -0.00032  -0.00234   1.88988
   A161       1.88835   0.00004   0.00202  -0.00049   0.00153   1.88988
   A162       1.95783   0.00002  -0.00052  -0.00025  -0.00077   1.95707
   A163       1.96636  -0.00019  -0.00183   0.00071  -0.00112   1.96524
   A164       1.94431  -0.00025  -0.00192  -0.00013  -0.00206   1.94225
   A165       1.85566   0.00009  -0.00108  -0.00017  -0.00125   1.85441
   A166       1.86534   0.00016   0.00162  -0.00002   0.00160   1.86694
   A167       1.86797   0.00020   0.00413  -0.00017   0.00396   1.87193
   A168       1.93060   0.00005   0.00118  -0.00004   0.00115   1.93175
   A169       1.96226   0.00005   0.00143   0.00058   0.00201   1.96427
   A170       1.96152   0.00001  -0.00049  -0.00026  -0.00075   1.96077
   A171       1.85739  -0.00007  -0.00218   0.00025  -0.00193   1.85546
   A172       1.86192   0.00000   0.00049   0.00019   0.00068   1.86259
   A173       1.88433  -0.00006  -0.00061  -0.00071  -0.00132   1.88301
   A174       1.91629  -0.00002  -0.00002  -0.00003  -0.00006   1.91623
   A175       2.23751   0.00002   0.00027  -0.00020   0.00007   2.23758
   A176       2.12933   0.00000  -0.00024   0.00023   0.00000   2.12933
   A177       1.57900   0.00010   0.00050   0.00004   0.00054   1.57954
    D1        1.08047   0.00001   0.00611  -0.00073   0.00538   1.08585
    D2       -3.05153   0.00002   0.00650  -0.00065   0.00585  -3.04569
    D3       -0.99877   0.00001   0.00609  -0.00070   0.00539  -0.99339
    D4       -3.11709   0.00002   0.00621  -0.00066   0.00555  -3.11154
    D5       -0.96591   0.00003   0.00660  -0.00058   0.00601  -0.95989
    D6        1.08686   0.00002   0.00618  -0.00063   0.00555   1.09241
    D7       -1.01106   0.00000   0.00590  -0.00073   0.00518  -1.00588
    D8        1.14012   0.00002   0.00629  -0.00065   0.00564   1.14577
    D9       -3.09030   0.00001   0.00588  -0.00069   0.00518  -3.08512
   D10        1.00267  -0.00001   0.00139  -0.00182  -0.00042   1.00225
   D11        3.10760  -0.00002   0.00165  -0.00178  -0.00013   3.10747
   D12       -1.08918  -0.00001   0.00166  -0.00170  -0.00004  -1.08922
   D13       -1.14989   0.00001   0.00200  -0.00181   0.00019  -1.14970
   D14        0.95504   0.00001   0.00225  -0.00177   0.00048   0.95552
   D15        3.04145   0.00001   0.00226  -0.00169   0.00057   3.04201
   D16        3.08125   0.00001   0.00165  -0.00190  -0.00025   3.08100
   D17       -1.09700   0.00000   0.00190  -0.00186   0.00005  -1.09696
   D18        0.98940   0.00001   0.00191  -0.00178   0.00013   0.98953
   D19        2.08108   0.00000  -0.01212  -0.00088  -0.01300   2.06808
   D20       -1.06302  -0.00002  -0.01168  -0.00139  -0.01307  -1.07609
   D21       -2.03568  -0.00001  -0.01233  -0.00087  -0.01319  -2.04888
   D22        1.10340  -0.00003  -0.01189  -0.00137  -0.01326   1.09014
   D23        0.02270  -0.00001  -0.01197  -0.00078  -0.01275   0.00994
   D24       -3.12141  -0.00003  -0.01153  -0.00129  -0.01282  -3.13423
   D25       -3.14121   0.00002   0.00169   0.00001   0.00170  -3.13951
   D26        0.00270   0.00003   0.00128   0.00048   0.00176   0.00446
   D27       -3.14091  -0.00001  -0.00173  -0.00004  -0.00177   3.14051
   D28       -0.00149  -0.00003  -0.00135  -0.00047  -0.00183  -0.00332
   D29        3.13408  -0.00002  -0.00218   0.00004  -0.00214   3.13194
   D30       -0.00298  -0.00002  -0.00051  -0.00023  -0.00074  -0.00372
   D31        1.82162   0.00008   0.07469   0.00190   0.07659   1.89821
   D32       -2.30132   0.00002   0.07545   0.00191   0.07736  -2.22396
   D33       -0.28347   0.00003   0.07303   0.00204   0.07507  -0.20841
   D34       -1.32511   0.00008   0.07279   0.00220   0.07499  -1.25012
   D35        0.83514   0.00002   0.07355   0.00221   0.07576   0.91090
   D36        2.85298   0.00003   0.07112   0.00234   0.07347   2.92645
   D37        0.00176   0.00000  -0.00053  -0.00014  -0.00066   0.00110
   D38       -3.12886   0.00002  -0.00150   0.00009  -0.00141  -3.13027
   D39       -3.13480   0.00000   0.00134  -0.00043   0.00091  -3.13390
   D40        0.01777   0.00002   0.00037  -0.00021   0.00015   0.01792
   D41       -1.24956  -0.00005   0.00931   0.00081   0.01012  -1.23944
   D42        1.26195   0.00005   0.00988   0.00186   0.01174   1.27369
   D43        2.87091   0.00001   0.01015   0.00092   0.01107   2.88198
   D44       -0.90077   0.00010   0.01072   0.00197   0.01269  -0.88808
   D45        0.87860  -0.00002   0.01121   0.00072   0.01192   0.89052
   D46       -2.89308   0.00007   0.01177   0.00176   0.01354  -2.87954
   D47       -1.19779   0.00000   0.01544  -0.00131   0.01412  -1.18366
   D48        3.01699   0.00000   0.01560  -0.00132   0.01428   3.03127
   D49        0.90425   0.00001   0.01694  -0.00123   0.01570   0.91996
   D50        2.53486  -0.00002   0.01443  -0.00231   0.01212   2.54698
   D51        0.46645  -0.00002   0.01459  -0.00232   0.01227   0.47873
   D52       -1.64629  -0.00001   0.01593  -0.00223   0.01370  -1.63259
   D53       -2.77030  -0.00009  -0.00052  -0.00074  -0.00126  -2.77156
   D54        0.41148   0.00007   0.00116  -0.00055   0.00061   0.41209
   D55       -0.26561  -0.00008  -0.00015   0.00025   0.00010  -0.26551
   D56        2.91617   0.00008   0.00153   0.00044   0.00197   2.91814
   D57        2.84537  -0.00015  -0.00605   0.00067  -0.00537   2.84000
   D58        0.39243  -0.00012  -0.01192   0.00219  -0.00973   0.38270
   D59       -0.25671   0.00000  -0.00437   0.00087  -0.00351  -0.26021
   D60       -2.70965   0.00003  -0.01024   0.00238  -0.00786  -2.71752
   D61       -1.44552  -0.00003   0.01254   0.00270   0.01524  -1.43027
   D62        2.69655   0.00003   0.01333   0.00251   0.01584   2.71239
   D63        0.63741   0.00008   0.01360   0.00260   0.01620   0.65361
   D64        1.03709  -0.00004   0.01836   0.00116   0.01952   1.05661
   D65       -1.10403   0.00003   0.01915   0.00097   0.02012  -1.08392
   D66        3.12001   0.00008   0.01941   0.00106   0.02048   3.14049
   D67       -0.55653   0.00021  -0.01920   0.00337  -0.01582  -0.57235
   D68        2.60988   0.00039  -0.02634   0.00333  -0.02301   2.58686
   D69        1.56173   0.00018  -0.01965   0.00356  -0.01609   1.54564
   D70       -1.55505   0.00036  -0.02679   0.00351  -0.02328  -1.57833
   D71       -2.61571   0.00019  -0.01936   0.00337  -0.01598  -2.63169
   D72        0.55070   0.00037  -0.02650   0.00333  -0.02317   0.52753
   D73        1.22670   0.00002  -0.03020   0.00345  -0.02675   1.19995
   D74       -2.88872  -0.00008  -0.02917   0.00429  -0.02488  -2.91361
   D75       -0.84439  -0.00004  -0.02744   0.00373  -0.02370  -0.86809
   D76       -0.90326   0.00035  -0.02921   0.00298  -0.02623  -0.92949
   D77        1.26450   0.00025  -0.02818   0.00381  -0.02437   1.24013
   D78       -2.97435   0.00028  -0.02644   0.00326  -0.02319  -2.99753
   D79       -3.01521   0.00012  -0.03040   0.00329  -0.02711  -3.04231
   D80       -0.84745   0.00001  -0.02937   0.00413  -0.02524  -0.87269
   D81        1.19689   0.00005  -0.02764   0.00358  -0.02406   1.17283
   D82        3.13044  -0.00008  -0.00716   0.00179  -0.00539   3.12505
   D83       -0.01815   0.00017   0.03745  -0.00174   0.03572   0.01757
   D84        0.01303   0.00010  -0.01408   0.00174  -0.01235   0.00067
   D85       -3.13557   0.00035   0.03053  -0.00179   0.02876  -3.10681
   D86        2.41676   0.00032   0.04212  -0.00254   0.03957   2.45633
   D87       -1.69616   0.00064   0.04160  -0.00228   0.03931  -1.65685
   D88        0.36974   0.00021   0.04235  -0.00281   0.03953   0.40927
   D89       -0.71817   0.00008  -0.00041   0.00083   0.00042  -0.71775
   D90        1.45210   0.00040  -0.00094   0.00109   0.00017   1.45226
   D91       -2.76519  -0.00003  -0.00018   0.00056   0.00038  -2.76480
   D92        1.03789  -0.00005   0.00357  -0.00076   0.00281   1.04070
   D93       -1.11115  -0.00004   0.00328  -0.00071   0.00257  -1.10858
   D94       -3.08636  -0.00008   0.00282  -0.00065   0.00216  -3.08419
   D95       -1.10967   0.00000   0.00208  -0.00072   0.00136  -1.10831
   D96        3.02447   0.00000   0.00178  -0.00067   0.00112   3.02559
   D97        1.04927  -0.00003   0.00132  -0.00061   0.00071   1.04998
   D98        3.08096   0.00006   0.00234  -0.00056   0.00178   3.08274
   D99        0.93192   0.00007   0.00205  -0.00051   0.00154   0.93345
   D100      -1.04329   0.00003   0.00159  -0.00046   0.00113  -1.04216
   D101       1.14162  -0.00020   0.03012  -0.00011   0.03000   1.17162
   D102      -0.98095  -0.00010   0.03315  -0.00042   0.03273  -0.94822
   D103      -2.99507  -0.00031   0.03034  -0.00005   0.03028  -2.96479
   D104      -2.99646   0.00000   0.02891   0.00011   0.02902  -2.96744
   D105       1.16415   0.00010   0.03194  -0.00019   0.03176   1.19591
   D106      -0.84997  -0.00011   0.02913   0.00018   0.02931  -0.82066
   D107      -0.91191   0.00009   0.02945   0.00022   0.02967  -0.88224
   D108      -3.03448   0.00018   0.03248  -0.00008   0.03240  -3.00208
   D109       1.23459  -0.00003   0.02967   0.00028   0.02995   1.26454
   D110      -1.64315  -0.00001  -0.00183  -0.00106  -0.00289  -1.64604
   D111       1.50635  -0.00001  -0.00135  -0.00108  -0.00243   1.50392
   D112       0.49267   0.00003  -0.00096  -0.00117  -0.00212   0.49055
   D113      -2.64101   0.00003  -0.00048  -0.00119  -0.00167  -2.64268
   D114       2.49386   0.00001  -0.00115  -0.00128  -0.00244   2.49142
   D115      -0.63982   0.00001  -0.00067  -0.00131  -0.00198  -0.64181
   D116       3.13974   0.00000   0.00048  -0.00002   0.00046   3.14020
   D117      -0.01767   0.00000   0.00069   0.00006   0.00075  -0.01692
   D118      -0.00968   0.00000   0.00001   0.00000   0.00001  -0.00967
   D119       3.11610  -0.00001   0.00021   0.00009   0.00030   3.11640
   D120      -3.13928   0.00000  -0.00040   0.00008  -0.00032  -3.13960
   D121       0.00957   0.00000  -0.00098   0.00022  -0.00076   0.00882
   D122       0.01018   0.00000   0.00008   0.00005   0.00013   0.01031
   D123      -3.12415   0.00000  -0.00050   0.00019  -0.00030  -3.12445
   D124       0.00176   0.00000  -0.00004  -0.00006  -0.00009   0.00167
   D125       3.13866  -0.00001  -0.00014  -0.00008  -0.00022   3.13844
   D126      -3.12409   0.00000  -0.00024  -0.00014  -0.00038  -3.12447
   D127       0.01280   0.00000  -0.00034  -0.00016  -0.00050   0.01229
   D128       0.00570   0.00000  -0.00001   0.00005   0.00004   0.00574
   D129       3.14141   0.00000   0.00004   0.00002   0.00006   3.14147
   D130      -3.13118   0.00001   0.00009   0.00007   0.00016  -3.13102
   D131       0.00453   0.00000   0.00015   0.00004   0.00018   0.00471
   D132      -0.00519   0.00000   0.00010   0.00000   0.00010  -0.00509
   D133       3.13359   0.00000   0.00022  -0.00002   0.00019   3.13378
   D134      -3.14091   0.00000   0.00004   0.00004   0.00008  -3.14083
   D135      -0.00213   0.00000   0.00016   0.00001   0.00017  -0.00195
   D136      -0.00278   0.00000  -0.00013  -0.00005  -0.00019  -0.00296
   D137       3.13159   0.00000   0.00044  -0.00020   0.00025   3.13183
   D138      -3.14156   0.00000  -0.00025  -0.00003  -0.00028   3.14135
   D139      -0.00720   0.00000   0.00032  -0.00017   0.00015  -0.00704
   D140      -1.83976  -0.00005   0.01669  -0.00171   0.01498  -1.82478
   D141       2.45790  -0.00024   0.01222  -0.00129   0.01093   2.46883
   D142       0.24918  -0.00016   0.01479  -0.00151   0.01328   0.26245
   D143       0.30104  -0.00008   0.01354  -0.00159   0.01194   0.31298
   D144      -1.68448  -0.00028   0.00906  -0.00118   0.00789  -1.67659
   D145       2.38998  -0.00019   0.01163  -0.00140   0.01024   2.40021
   D146       2.31307   0.00020   0.01615  -0.00176   0.01439   2.32745
   D147       0.32754   0.00000   0.01168  -0.00134   0.01034   0.33788
   D148      -1.88118   0.00009   0.01425  -0.00156   0.01269  -1.86850
   D149       1.34606  -0.00056   0.18240  -0.01534   0.16706   1.51312
   D150      -2.80462   0.00040   0.18063  -0.01547   0.16519  -2.63944
   D151      -0.76812  -0.00010   0.18649  -0.01599   0.17048  -0.59764
   D152      -0.98603   0.00007  -0.02790  -0.00237  -0.03027  -1.01629
   D153       3.13737   0.00049  -0.02249  -0.00319  -0.02567   3.11170
   D154       1.13847   0.00031  -0.02587  -0.00274  -0.02861   1.10986
   D155      -3.03971  -0.00033  -0.02352  -0.00266  -0.02619  -3.06590
   D156       1.08369   0.00009  -0.01811  -0.00347  -0.02159   1.06209
   D157      -0.91522  -0.00009  -0.02149  -0.00303  -0.02453  -0.93975
   D158       1.22847  -0.00011  -0.03125  -0.00190  -0.03315   1.19532
   D159      -0.93132   0.00031  -0.02584  -0.00272  -0.02855  -0.95987
   D160      -2.93022   0.00013  -0.02922  -0.00228  -0.03149  -2.96172
   D161       2.95475   0.00037   0.01020   0.00266   0.01286   2.96761
   D162      -1.18820   0.00039   0.01061   0.00284   0.01345  -1.17475
   D163       0.81580   0.00041   0.01106   0.00304   0.01410   0.82990
   D164      -1.20781  -0.00022   0.00998   0.00253   0.01251  -1.19530
   D165       0.93243  -0.00020   0.01039   0.00271   0.01310   0.94553
   D166       2.93643  -0.00018   0.01084   0.00291   0.01375   2.95018
   D167       0.83697  -0.00001   0.00888   0.00268   0.01156   0.84853
   D168       2.97721   0.00000   0.00930   0.00286   0.01216   2.98936
   D169      -1.30198   0.00003   0.00974   0.00306   0.01280  -1.28917
   D170       1.13065  -0.00050  -0.03017   0.00365  -0.02652   1.10412
   D171      -1.30573  -0.00008  -0.03621   0.00367  -0.03254  -1.33827
   D172      -1.02547  -0.00042  -0.02796   0.00352  -0.02444  -1.04990
   D173       2.82134   0.00000  -0.03400   0.00354  -0.03045   2.79089
   D174      -3.11353  -0.00040  -0.02746   0.00353  -0.02394  -3.13747
   D175       0.73327   0.00002  -0.03350   0.00355  -0.02995   0.70332
   D176       1.65676  -0.00002   0.00205   0.00116   0.00322   1.65998
   D177      -1.48678  -0.00002   0.00184   0.00100   0.00284  -1.48394
   D178      -0.48313   0.00002   0.00309   0.00079   0.00388  -0.47925
   D179       2.65651   0.00002   0.00288   0.00063   0.00351   2.66002
   D180      -2.49653   0.00002   0.00206   0.00074   0.00280  -2.49373
   D181       0.64311   0.00002   0.00185   0.00057   0.00242   0.64553
   D182       3.13719  -0.00001  -0.00064  -0.00007  -0.00071   3.13647
   D183      -0.01110  -0.00002  -0.00135   0.00003  -0.00132  -0.01242
   D184      -0.00247   0.00000  -0.00043   0.00009  -0.00034  -0.00281
   D185       3.13243  -0.00002  -0.00114   0.00019  -0.00095   3.13148
   D186      -3.13676   0.00001   0.00057   0.00007   0.00064  -3.13612
   D187       0.00522   0.00001   0.00058   0.00009   0.00066   0.00588
   D188       0.00288   0.00000   0.00035  -0.00009   0.00026   0.00315
   D189      -3.13832   0.00001   0.00036  -0.00007   0.00029  -3.13803
   D190       0.00011   0.00000   0.00020  -0.00003   0.00017   0.00028
   D191       3.14073   0.00000   0.00015  -0.00002   0.00014   3.14087
   D192      -3.13474   0.00001   0.00091  -0.00012   0.00078  -3.13396
   D193       0.00588   0.00001   0.00086  -0.00012   0.00075   0.00662
   D194       0.00184   0.00000   0.00011  -0.00004   0.00007   0.00191
   D195      -3.14056   0.00000   0.00005  -0.00005   0.00000  -3.14056
   D196      -3.13878   0.00000   0.00016  -0.00005   0.00011  -3.13867
   D197       0.00200   0.00000   0.00009  -0.00006   0.00003   0.00204
   D198      -0.00142   0.00000  -0.00019   0.00004  -0.00015  -0.00157
   D199       3.14007   0.00000  -0.00018   0.00005  -0.00013   3.13994
   D200       3.14098   0.00000  -0.00013   0.00005  -0.00008   3.14091
   D201      -0.00072   0.00000  -0.00012   0.00006  -0.00006  -0.00077
   D202      -0.00094   0.00000  -0.00005   0.00003  -0.00002  -0.00096
   D203       3.14026   0.00000  -0.00006   0.00001  -0.00004   3.14022
   D204       3.14075   0.00000  -0.00005   0.00002  -0.00004   3.14072
   D205      -0.00123   0.00000  -0.00006   0.00000  -0.00006  -0.00129
   D206       0.58422  -0.00013  -0.00245  -0.00110  -0.00355   0.58066
   D207      -2.60796   0.00075   0.00179  -0.00189  -0.00010  -2.60806
   D208       3.00194  -0.00060   0.00407  -0.00128   0.00278   3.00472
   D209      -0.19024   0.00028   0.00831  -0.00207   0.00624  -0.18400
   D210       3.10185  -0.00116  -0.00473  -0.00257  -0.00730   3.09455
   D211      -0.08596  -0.00036  -0.00093  -0.00327  -0.00421  -0.09018
   D212      -1.15412   0.00035   0.00338  -0.00016   0.00322  -1.15090
   D213       3.03111   0.00021   0.00216  -0.00025   0.00190   3.03301
   D214       1.00650  -0.00011   0.00255  -0.00024   0.00231   1.00881
   D215      -2.05886  -0.00007   0.01059   0.00071   0.01130  -2.04756
   D216       1.06169  -0.00029   0.00906   0.00166   0.01072   1.07241
   D217      -0.10265  -0.00009   0.01188   0.00095   0.01284  -0.08981
   D218       3.01790  -0.00031   0.01035   0.00190   0.01225   3.03015
   D219       2.11076   0.00024   0.01031   0.00071   0.01102   2.12179
   D220      -1.05188   0.00002   0.00878   0.00166   0.01044  -1.04144
   D221       3.13418  -0.00024   0.00110   0.00071   0.00180   3.13598
   D222      -0.02097  -0.00004   0.00543   0.00038   0.00581  -0.01516
   D223       0.01194  -0.00003   0.00251  -0.00016   0.00236   0.01429
   D224       3.13998   0.00017   0.00684  -0.00048   0.00636  -3.13684
   D225       3.14124   0.00026  -0.00022  -0.00024  -0.00047   3.14077
   D226      -0.01738   0.00009  -0.00148   0.00054  -0.00094  -0.01832
   D227       0.00313  -0.00007  -0.00245  -0.00049  -0.00295   0.00018
   D228      -3.12628  -0.00025  -0.00634  -0.00021  -0.00655  -3.13283
   D229      -0.01702   0.00014   0.00122   0.00091   0.00213  -0.01489
   D230      -3.11718   0.00001   0.00011  -0.00049  -0.00039  -3.11757
   D231       0.02025  -0.00014   0.00014  -0.00086  -0.00072   0.01952
   D232       3.12209   0.00000   0.00120   0.00051   0.00171   3.12380
   D233      -0.90354  -0.00005  -0.05599  -0.00332  -0.05932  -0.96286
   D234       1.18977  -0.00005  -0.05905  -0.00322  -0.06227   1.12750
   D235      -2.99385  -0.00010  -0.05638  -0.00303  -0.05941  -3.05326
   D236      -3.06821  -0.00002  -0.05584  -0.00374  -0.05958  -3.12779
   D237      -0.97489  -0.00002  -0.05891  -0.00363  -0.06254  -1.03743
   D238       1.12468  -0.00006  -0.05623  -0.00345  -0.05968   1.06500
   D239       1.14678  -0.00003  -0.05784  -0.00334  -0.06118   1.08560
   D240      -3.04309  -0.00003  -0.06090  -0.00323  -0.06413  -3.10722
   D241      -0.94352  -0.00008  -0.05822  -0.00305  -0.06127  -1.00479
   D242       2.96355   0.00001   0.01214  -0.00196   0.01019   2.97374
   D243      -1.24588   0.00000   0.01114  -0.00129   0.00985  -1.23603
   D244       0.88455  -0.00003   0.01104  -0.00199   0.00905   0.89360
   D245      -1.13176   0.00000   0.01240  -0.00149   0.01091  -1.12085
   D246       0.94200  -0.00001   0.01139  -0.00082   0.01057   0.95256
   D247       3.07242  -0.00004   0.01129  -0.00152   0.00977   3.08219
   D248       0.93879   0.00002   0.01194  -0.00179   0.01015   0.94894
   D249       3.01255   0.00001   0.01093  -0.00112   0.00981   3.02236
   D250      -1.14021  -0.00002   0.01083  -0.00183   0.00901  -1.13120
   D251      -0.00020   0.00002   0.00101   0.00033   0.00134   0.00114
   D252       3.13122  -0.00001   0.00192   0.00012   0.00204   3.13326
         Item               Value     Threshold  Converged?
 Maximum Force            0.002549     0.000450     NO 
 RMS     Force            0.000276     0.000300     YES
 Maximum Displacement     0.459157     0.001800     NO 
 RMS     Displacement     0.067672     0.001200     NO 
 Predicted change in Energy=-1.137453D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.819689   -1.960686    0.950298
      2          6           0       -9.333215   -0.943183   -0.086092
      3          6           0      -10.076798    0.390653    0.033285
      4          6           0       -7.857817   -0.730422    0.044585
      5          7           0       -6.948215   -0.975514   -0.867276
      6          6           0       -5.637005   -0.663970   -0.420375
      7          6           0       -4.500915   -0.913305   -1.372242
      8          7           0       -3.897507    0.332856   -1.909902
      9          6           0       -4.769813    1.056551   -2.876352
     10          6           0       -3.081096    1.162871   -1.097848
     11          8           0       -2.888046    2.344384   -1.363740
     12          7           0       -2.439773    0.559919    0.025624
     13          6           0       -1.308331    1.315369    0.610484
     14          6           0       -0.018234    1.057971   -0.197240
     15          8           0        0.227267   -0.009745   -0.751675
     16          7           0        0.879777    2.114998   -0.246614
     17          6           0        2.176803    2.007307   -0.970611
     18          6           0        2.479564    3.334122   -1.701817
     19          6           0        2.576449    4.532647   -0.798962
     20          6           0        1.449564    5.342343   -0.584438
     21          6           0        1.535304    6.455941    0.255177
     22          6           0        2.743165    6.771886    0.884868
     23          6           0        3.869463    5.972311    0.666003
     24          6           0        3.789935    4.857818   -0.173231
     25          6           0        3.302681    1.604801    0.005200
     26          6           0        3.102958    0.179514    0.530943
     27          8           0        2.620539    0.257482    1.889952
     28          6           0        4.408425   -0.656124    0.685763
     29          6           0        5.164578   -0.779895   -0.647136
     30          6           0        6.532768   -1.373281   -0.454753
     31          6           0        6.729113   -2.751901   -0.629079
     32          6           0        8.000475   -3.303869   -0.456802
     33          6           0        9.081908   -2.486757   -0.110023
     34          6           0        8.887105   -1.113558    0.066522
     35          6           0        7.617131   -0.554958   -0.104011
     36          7           0        4.044495   -1.996966    1.244652
     37          6           0        3.222193   -2.832814    0.485441
     38          8           0        3.157567   -2.949032   -0.728294
     39          8           0        2.462173   -3.623713    1.337991
     40          6           0        1.499904   -4.515778    0.689240
     41          6           0        0.448637   -3.729539    0.014826
     42          6           0       -0.900330   -3.676939    0.238450
     43          7           0       -1.616864   -2.798453   -0.600419
     44          6           0       -0.818103   -2.187067   -1.456619
     45         16           0        0.875013   -2.629517   -1.277310
     46          6           0       -1.135074    0.903145    2.101804
     47          6           0       -0.637536   -0.533528    2.261793
     48          6           0       -0.202286    1.883490    2.818260
     49          6           0       -5.556978   -0.170602    0.850502
     50         16           0       -7.144787   -0.078011    1.546186
     51          1           0      -10.879943   -2.195491    0.798924
     52          1           0       -9.261997   -2.903155    0.878979
     53          1           0       -9.713883   -1.593169    1.977842
     54          1           0       -9.528390   -1.365745   -1.113396
     55          1           0       -9.982083    0.832908    1.032154
     56          1           0       -9.700092    1.126093   -0.688654
     57          1           0      -11.147742    0.259289   -0.161547
     58          1           0       -3.713957   -1.538911   -0.877906
     59          1           0       -4.855529   -1.523041   -2.242970
     60          1           0       -4.863423    0.447379   -3.790176
     61          1           0       -4.314031    2.027104   -3.150860
     62          1           0       -5.778166    1.250841   -2.475371
     63          1           0       -2.301174   -0.460966    0.018767
     64          1           0       -1.574796    2.412917    0.561352
     65          1           0        0.697659    2.993531    0.235266
     66          1           0        2.065837    1.196712   -1.749515
     67          1           0        1.693071    3.502051   -2.471793
     68          1           0        3.417874    3.216481   -2.283488
     69          1           0        0.507779    5.113729   -1.083258
     70          1           0        0.657933    7.081873    0.415116
     71          1           0        2.808075    7.639505    1.538253
     72          1           0        4.813712    6.220032    1.149330
     73          1           0        4.674039    4.247581   -0.344130
     74          1           0        3.346051    2.305149    0.866865
     75          1           0        4.282544    1.706294   -0.502115
     76          1           0        2.352941   -0.376701   -0.088818
     77          1           0        1.628099    0.337738    1.898403
     78          1           0        5.068376   -0.172838    1.457644
     79          1           0        4.573384   -1.398394   -1.366833
     80          1           0        5.241155    0.220010   -1.124508
     81          1           0        5.883559   -3.388914   -0.892509
     82          1           0        8.149122   -4.373927   -0.592167
     83          1           0       10.070950   -2.919024    0.022554
     84          1           0        9.726679   -0.476248    0.337820
     85          1           0        7.474243    0.513168    0.036410
     86          1           0        3.844220   -1.970978    2.255620
     87          1           0        1.132101   -5.092381    1.562674
     88          1           0        2.054052   -5.177077   -0.007704
     89          1           0       -1.464471   -4.237836    0.975720
     90          1           0       -1.135634   -1.449372   -2.188213
     91          1           0       -2.152421    0.977931    2.571192
     92          1           0       -1.283676   -1.255379    1.743836
     93          1           0        0.376025   -0.678672    1.853824
     94          1           0       -0.608790   -0.829503    3.317008
     95          1           0       -0.208661    1.703582    3.901653
     96          1           0        0.845629    1.782883    2.494134
     97          1           0       -0.501498    2.926581    2.670339
     98          1           0       -4.677195    0.140541    1.390993
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0820847      0.0287859      0.0232759
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3658.8210522848 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258423225479     A.U. after   19 cycles
             Convg  =    0.5685D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001126   -0.000002322    0.000025778
      2        6           0.000002828    0.000036515   -0.000011851
      3        6          -0.000003889   -0.000019187    0.000022224
      4        6           0.000061120   -0.000093189    0.000069413
      5        7          -0.000072570    0.000029952   -0.000009004
      6        6           0.000013075    0.000006245    0.000004295
      7        6           0.000000917    0.000023739   -0.000009546
      8        7          -0.000001855   -0.000048590   -0.000005520
      9        6           0.000031952    0.000000993    0.000014881
     10        6           0.000001899   -0.000019658   -0.000067882
     11        8          -0.000012835    0.000033803    0.000080932
     12        7          -0.000086983   -0.000198361   -0.000049469
     13        6           0.000035759    0.000073754    0.000019341
     14        6           0.000044535    0.000051990   -0.000276264
     15        8           0.000030087   -0.000146445    0.000005082
     16        7          -0.000050842    0.000047238    0.000094285
     17        6           0.000047678    0.000026877   -0.000036900
     18        6           0.000027460    0.000061707    0.000053074
     19        6          -0.000012498   -0.000019954    0.000018583
     20        6           0.000017395   -0.000014553    0.000011486
     21        6           0.000018778    0.000029315   -0.000005107
     22        6          -0.000030368   -0.000013587    0.000002928
     23        6           0.000007003   -0.000007371   -0.000003810
     24        6           0.000007949    0.000024745   -0.000024667
     25        6          -0.000007807    0.000061750   -0.000186428
     26        6          -0.000061007   -0.000046055    0.000026997
     27        8          -0.000122538    0.000187538    0.000221851
     28        6           0.000285153   -0.000014569    0.000117242
     29        6          -0.000029074    0.000017599    0.000003942
     30        6           0.000027617    0.000022862    0.000002508
     31        6           0.000023544    0.000018739   -0.000015634
     32        6          -0.000017332    0.000002392    0.000004569
     33        6          -0.000000356    0.000029149    0.000010976
     34        6           0.000038123   -0.000010303   -0.000018050
     35        6          -0.000046720   -0.000021314    0.000020237
     36        7          -0.000023778    0.000023895    0.000058957
     37        6           0.000051054   -0.000134390    0.000033481
     38        8          -0.000003745   -0.000028015   -0.000044400
     39        8          -0.000053594    0.000001089    0.000031389
     40        6           0.000012345   -0.000047435    0.000085198
     41        6          -0.000033806    0.000007406   -0.000202769
     42        6           0.000111873    0.000061926    0.000034821
     43        7          -0.000042705   -0.000027929    0.000030085
     44        6          -0.000062989    0.000026888   -0.000048703
     45       16           0.000095833   -0.000015090    0.000178244
     46        6           0.000057121   -0.000006319   -0.000019939
     47        6           0.000019353   -0.000106730   -0.000104431
     48        6          -0.000222175    0.000111804   -0.000026380
     49        6           0.000075599   -0.000028597    0.000009395
     50       16          -0.000033384    0.000052301   -0.000044785
     51        1          -0.000006402    0.000011984   -0.000005497
     52        1          -0.000005265   -0.000006870   -0.000000206
     53        1          -0.000000863   -0.000003296   -0.000009559
     54        1           0.000003936   -0.000008275   -0.000025258
     55        1          -0.000003375   -0.000000546   -0.000005326
     56        1           0.000000068    0.000002549   -0.000007466
     57        1           0.000004989    0.000003501   -0.000001526
     58        1           0.000015583    0.000034266    0.000012464
     59        1          -0.000029898    0.000022767   -0.000006408
     60        1          -0.000010697    0.000000207   -0.000008054
     61        1           0.000000945   -0.000003718   -0.000014673
     62        1          -0.000003877    0.000013234    0.000002908
     63        1          -0.000020057    0.000046054    0.000064721
     64        1           0.000015229    0.000058058    0.000011298
     65        1          -0.000011259   -0.000009082    0.000030287
     66        1          -0.000011335    0.000031380   -0.000031230
     67        1          -0.000008508   -0.000016144   -0.000009837
     68        1          -0.000005777   -0.000002516    0.000016504
     69        1          -0.000008879   -0.000002686   -0.000001323
     70        1          -0.000006149   -0.000002363    0.000000863
     71        1           0.000005319    0.000000977    0.000001646
     72        1           0.000002241    0.000003498    0.000002387
     73        1           0.000004034   -0.000003062    0.000010075
     74        1           0.000023356    0.000057050    0.000040853
     75        1           0.000033288    0.000017657    0.000010408
     76        1          -0.000042240    0.000095340   -0.000013478
     77        1          -0.000037213   -0.000251574    0.000037087
     78        1           0.000072535   -0.000034633   -0.000029250
     79        1           0.000047502    0.000012203    0.000009009
     80        1          -0.000031379   -0.000032988    0.000021218
     81        1          -0.000014339   -0.000015352    0.000006864
     82        1           0.000004990   -0.000003741   -0.000003748
     83        1          -0.000002821   -0.000003819   -0.000001027
     84        1          -0.000004481   -0.000000497    0.000002296
     85        1           0.000014427    0.000005068    0.000001580
     86        1          -0.000043535    0.000037191   -0.000087526
     87        1          -0.000048729   -0.000024349   -0.000172758
     88        1           0.000003045    0.000023002    0.000009145
     89        1          -0.000021944   -0.000026477   -0.000010214
     90        1          -0.000002196    0.000001382    0.000016105
     91        1           0.000057091    0.000039163    0.000013913
     92        1           0.000021033    0.000045831    0.000003399
     93        1          -0.000111605   -0.000206525   -0.000133652
     94        1          -0.000003747   -0.000021041    0.000035091
     95        1           0.000001345   -0.000028985   -0.000004191
     96        1           0.000047439    0.000177490    0.000119770
     97        1           0.000011688   -0.000021054    0.000015486
     98        1          -0.000005588   -0.000012507    0.000006177
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000285153 RMS     0.000059330

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000363610 RMS     0.000073348
 Search for a local minimum.
 Step number  71 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   59   60   61   62   63
                                                     64   65   66   67   68
                                                     70   71
 DE=  3.40D-05 DEPred=-1.14D-04 R=-2.99D-01
 Trust test=-2.99D-01 RLast= 4.45D-01 DXMaxT set to 3.13D-01
     Eigenvalues ---   -0.00004   0.00000   0.00113   0.00190   0.00217
     Eigenvalues ---    0.00290   0.00337   0.00364   0.00538   0.00586
     Eigenvalues ---    0.00664   0.00734   0.00776   0.00822   0.00895
     Eigenvalues ---    0.00963   0.00993   0.01084   0.01123   0.01204
     Eigenvalues ---    0.01295   0.01310   0.01397   0.01443   0.01481
     Eigenvalues ---    0.01553   0.01587   0.01661   0.01720   0.01752
     Eigenvalues ---    0.01898   0.01928   0.02096   0.02097   0.02194
     Eigenvalues ---    0.02203   0.02220   0.02245   0.02258   0.02263
     Eigenvalues ---    0.02271   0.02291   0.02333   0.02376   0.02404
     Eigenvalues ---    0.02409   0.02415   0.02448   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02527   0.02529   0.02579   0.02681
     Eigenvalues ---    0.02704   0.02953   0.03273   0.03372   0.03793
     Eigenvalues ---    0.04012   0.04118   0.04166   0.04201   0.04402
     Eigenvalues ---    0.04582   0.04751   0.04898   0.04959   0.04999
     Eigenvalues ---    0.05119   0.05197   0.05229   0.05362   0.05396
     Eigenvalues ---    0.05444   0.05479   0.05523   0.05531   0.05634
     Eigenvalues ---    0.05658   0.05722   0.05838   0.05857   0.05878
     Eigenvalues ---    0.05977   0.06023   0.06051   0.06132   0.06215
     Eigenvalues ---    0.06501   0.06765   0.06881   0.07070   0.07099
     Eigenvalues ---    0.07525   0.08164   0.08321   0.08560   0.08764
     Eigenvalues ---    0.09215   0.09654   0.09879   0.10331   0.10962
     Eigenvalues ---    0.12108   0.12899   0.13129   0.13308   0.13484
     Eigenvalues ---    0.13811   0.13905   0.14446   0.15132   0.15547
     Eigenvalues ---    0.15687   0.15754   0.15952   0.15961   0.15977
     Eigenvalues ---    0.15983   0.15985   0.15995   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16005   0.16008   0.16016
     Eigenvalues ---    0.16026   0.16048   0.16088   0.16117   0.16134
     Eigenvalues ---    0.16186   0.16347   0.16522   0.16851   0.17149
     Eigenvalues ---    0.17702   0.17990   0.18271   0.18496   0.19071
     Eigenvalues ---    0.19146   0.19846   0.20321   0.20824   0.21744
     Eigenvalues ---    0.21762   0.21979   0.22000   0.22001   0.22018
     Eigenvalues ---    0.22032   0.22293   0.22638   0.23108   0.23427
     Eigenvalues ---    0.23492   0.23553   0.23678   0.24026   0.24253
     Eigenvalues ---    0.24347   0.24640   0.24783   0.24986   0.25031
     Eigenvalues ---    0.25193   0.25422   0.25767   0.26886   0.27047
     Eigenvalues ---    0.27515   0.29156   0.29596   0.29668   0.29847
     Eigenvalues ---    0.29936   0.30112   0.30176   0.30389   0.30538
     Eigenvalues ---    0.30669   0.30837   0.30982   0.31325   0.31426
     Eigenvalues ---    0.31497   0.31512   0.31538   0.31663   0.31723
     Eigenvalues ---    0.31896   0.32021   0.32200   0.32341   0.32504
     Eigenvalues ---    0.32525   0.32607   0.32695   0.32819   0.32827
     Eigenvalues ---    0.32939   0.32990   0.33060   0.33136   0.33180
     Eigenvalues ---    0.33208   0.33286   0.33418   0.33535   0.33543
     Eigenvalues ---    0.33672   0.33716   0.33789   0.33940   0.33961
     Eigenvalues ---    0.34038   0.34084   0.34230   0.34256   0.34307
     Eigenvalues ---    0.34475   0.34524   0.34573   0.34600   0.34724
     Eigenvalues ---    0.35321   0.35963   0.36246   0.36314   0.36376
     Eigenvalues ---    0.36446   0.36636   0.36845   0.36963   0.37266
     Eigenvalues ---    0.38227   0.38383   0.39131   0.39547   0.40638
     Eigenvalues ---    0.41336   0.41628   0.42314   0.42511   0.43155
     Eigenvalues ---    0.43342   0.43954   0.44565   0.45219   0.45285
     Eigenvalues ---    0.45768   0.47564   0.47813   0.48330   0.48422
     Eigenvalues ---    0.48656   0.48756   0.49105   0.49399   0.50231
     Eigenvalues ---    0.50579   0.50935   0.51248   0.51394   0.54135
     Eigenvalues ---    0.56406   0.58727   0.58947   0.59505   0.62916
     Eigenvalues ---    0.65334   0.67792   0.77644   0.78416   0.84729
     Eigenvalues ---    1.22813   1.79907   3.365181000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 Eigenvalue     1 is  -4.07D-05 should be greater than     0.000000 Eigenvector:
                         D219      D217      D215      D220      D218
   1                    0.31530   0.30495   0.30106   0.26181   0.25146
                         D216      D151      D150      D149       D63
   1                    0.24757  -0.17111  -0.17027  -0.16592  -0.14190
 Eigenvalue     2 is   3.88D-06 Eigenvector:
                         D151      D149      D150       D83       D88
   1                    0.46618   0.46247   0.44707   0.10211   0.10010
                          D74      D219       D86      D215       D80
   1                   -0.09513   0.09394   0.09291   0.09000  -0.08987
 Use linear search instead of GDIIS.
 Linear search step of   0.334 exceeds DXMaxT=   0.313 but not scaled.
 RFO step:  Lambda=-2.68812275D-04 EMin=-1.00000000D-04
 Quartic linear search produced a step of -0.74997.
 Maximum step size (   0.313) exceeded in Quadratic search.
    -- Step size scaled by   0.414
 Iteration  1 RMS(Cart)=  0.06460582 RMS(Int)=  0.00630569
 Iteration  2 RMS(Cart)=  0.00776270 RMS(Int)=  0.00026287
 Iteration  3 RMS(Cart)=  0.00027802 RMS(Int)=  0.00002709
 Iteration  4 RMS(Cart)=  0.00000036 RMS(Int)=  0.00002709
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89447   0.00001  -0.00009   0.00000  -0.00009   2.89439
    R2        2.07198   0.00000   0.00002  -0.00005  -0.00003   2.07195
    R3        2.07384   0.00000   0.00000   0.00001   0.00000   2.07385
    R4        2.07191   0.00000   0.00000   0.00008   0.00008   2.07199
    R5        2.89460   0.00000   0.00017  -0.00002   0.00015   2.89475
    R6        2.82774   0.00000   0.00002  -0.00014  -0.00012   2.82762
    R7        2.13130   0.00001  -0.00009   0.00003  -0.00006   2.13123
    R8        2.07207   0.00000   0.00000   0.00005   0.00005   2.07213
    R9        2.07352   0.00001  -0.00004  -0.00003  -0.00007   2.07345
   R10        2.07193   0.00001  -0.00014   0.00008  -0.00006   2.07188
   R11        2.47759   0.00005  -0.00038   0.00022  -0.00016   2.47743
   R12        3.37455  -0.00006   0.00122  -0.00092   0.00031   3.37486
   R13        2.68318  -0.00002   0.00021  -0.00053  -0.00032   2.68286
   R14        2.84020   0.00004   0.00032  -0.00039  -0.00007   2.84013
   R15        2.58067   0.00004  -0.00006   0.00019   0.00013   2.58080
   R16        2.80680   0.00004   0.00088  -0.00129  -0.00041   2.80639
   R17        2.11705  -0.00001  -0.00017   0.00019   0.00002   2.11707
   R18        2.11759   0.00002  -0.00066   0.00072   0.00006   2.11764
   R19        2.81479   0.00002   0.00013  -0.00005   0.00008   2.81487
   R20        2.68240   0.00002  -0.00016  -0.00187  -0.00203   2.68037
   R21        2.08293   0.00001   0.00005   0.00011   0.00015   2.08308
   R22        2.09160   0.00001  -0.00025   0.00025   0.00000   2.09160
   R23        2.08326   0.00000   0.00023  -0.00011   0.00012   2.08338
   R24        2.31747  -0.00008   0.00028   0.00054   0.00082   2.31829
   R25        2.69711   0.00000   0.00158   0.00001   0.00158   2.69869
   R26        2.79841  -0.00015   0.00093  -0.00048   0.00045   2.79886
   R27        1.94694   0.00008  -0.00057  -0.00081  -0.00138   1.94556
   R28        2.91718  -0.00016  -0.00005  -0.00036  -0.00041   2.91677
   R29        2.94214  -0.00008   0.00010  -0.00050  -0.00040   2.94174
   R30        2.13634  -0.00004   0.00083   0.00010   0.00092   2.13726
   R31        2.32035  -0.00014  -0.00124  -0.00164  -0.00288   2.31747
   R32        2.62268  -0.00027   0.00171   0.00272   0.00443   2.62711
   R33        2.81439  -0.00021   0.00030  -0.00021   0.00009   2.81447
   R34        1.92455   0.00000   0.00011  -0.00047  -0.00035   1.92420
   R35        2.91947  -0.00008   0.00020  -0.00063  -0.00043   2.91904
   R36        2.91644   0.00006  -0.00103   0.00085  -0.00018   2.91626
   R37        2.13470   0.00004  -0.00025   0.00083   0.00058   2.13528
   R38        2.84151   0.00001  -0.00040   0.00029  -0.00011   2.84140
   R39        2.10400  -0.00001   0.00004   0.00008   0.00012   2.10412
   R40        2.09803   0.00000   0.00004  -0.00009  -0.00004   2.09798
   R41        2.65336   0.00001  -0.00018   0.00016  -0.00002   2.65334
   R42        2.65224  -0.00002   0.00020  -0.00010   0.00010   2.65234
   R43        2.64049  -0.00001   0.00018  -0.00011   0.00007   2.64055
   R44        2.05975  -0.00001   0.00001   0.00011   0.00012   2.05987
   R45        2.64242   0.00002  -0.00017   0.00005  -0.00012   2.64230
   R46        2.05898  -0.00001   0.00004   0.00006   0.00010   2.05908
   R47        2.64276  -0.00001   0.00014  -0.00007   0.00007   2.64283
   R48        2.05615   0.00000  -0.00001   0.00004   0.00003   2.05618
   R49        2.64071   0.00000  -0.00020   0.00014  -0.00005   2.64065
   R50        2.05848   0.00000   0.00005   0.00000   0.00005   2.05853
   R51        2.05558   0.00000   0.00011  -0.00001   0.00010   2.05568
   R52        2.89550   0.00016  -0.00030   0.00058   0.00028   2.89578
   R53        2.09992  -0.00003   0.00038  -0.00162  -0.00124   2.09869
   R54        2.09393  -0.00004   0.00096   0.00020   0.00117   2.09510
   R55        2.72914   0.00015   0.00006  -0.00086  -0.00080   2.72834
   R56        2.94367  -0.00028   0.00039  -0.00039   0.00000   2.94368
   R57        2.11785   0.00007  -0.00064   0.00132   0.00069   2.11853
   R58        1.88163  -0.00011  -0.00108  -0.00050  -0.00158   1.88005
   R59        2.90533  -0.00003  -0.00083  -0.00012  -0.00095   2.90438
   R60        2.82996  -0.00014   0.00010  -0.00010   0.00001   2.82997
   R61        2.12533   0.00000   0.00063   0.00034   0.00096   2.12629
   R62        2.84155  -0.00002  -0.00019   0.00053   0.00034   2.84189
   R63        2.11279   0.00002   0.00002   0.00036   0.00038   2.11318
   R64        2.09884  -0.00001   0.00045   0.00039   0.00084   2.09968
   R65        2.65204   0.00000  -0.00004   0.00010   0.00006   2.65210
   R66        2.65136   0.00001  -0.00009  -0.00032  -0.00041   2.65095
   R67        2.63934   0.00000  -0.00019  -0.00012  -0.00031   2.63902
   R68        2.06157  -0.00002   0.00028   0.00068   0.00097   2.06254
   R69        2.64388  -0.00001   0.00016   0.00011   0.00026   2.64414
   R70        2.05750  -0.00001   0.00006  -0.00001   0.00005   2.05755
   R71        2.64210   0.00002  -0.00014  -0.00013  -0.00027   2.64183
   R72        2.05506   0.00000  -0.00004   0.00002  -0.00002   2.05504
   R73        2.64153  -0.00002   0.00020   0.00016   0.00036   2.64189
   R74        2.05681   0.00000  -0.00001  -0.00005  -0.00006   2.05675
   R75        2.05366   0.00000   0.00003  -0.00011  -0.00008   2.05359
   R76        2.63969  -0.00017   0.00053  -0.00136  -0.00083   2.63886
   R77        1.94820  -0.00010   0.00130   0.00066   0.00196   1.95016
   R78        2.30735   0.00002   0.00025   0.00071   0.00096   2.30831
   R79        2.62529  -0.00007  -0.00062   0.00190   0.00128   2.62657
   R80        2.76612  -0.00002  -0.00023  -0.00077  -0.00099   2.76513
   R81        2.78897   0.00004  -0.00073   0.00118   0.00045   2.78943
   R82        2.09635  -0.00018   0.00212   0.00003   0.00216   2.09851
   R83        2.09592   0.00001  -0.00033   0.00056   0.00023   2.09615
   R84        2.58588   0.00006  -0.00024  -0.00175  -0.00199   2.58389
   R85        3.30646  -0.00016   0.00191   0.00386   0.00577   3.31223
   R86        2.66502  -0.00003  -0.00003   0.00168   0.00165   2.66667
   R87        2.04966  -0.00002   0.00016   0.00038   0.00054   2.05020
   R88        2.49622   0.00001   0.00018  -0.00087  -0.00069   2.49553
   R89        3.32428  -0.00006   0.00001   0.00042   0.00043   3.32471
   R90        2.05299  -0.00002  -0.00019   0.00076   0.00058   2.05356
   R91        2.88898  -0.00023  -0.00029  -0.00055  -0.00083   2.88814
   R92        2.89349  -0.00018   0.00011   0.00154   0.00165   2.89514
   R93        2.12198   0.00006  -0.00054   0.00057   0.00003   2.12201
   R94        2.07599   0.00005  -0.00042   0.00058   0.00016   2.07615
   R95        2.08283   0.00015  -0.00074  -0.00323  -0.00397   2.07886
   R96        2.07174   0.00004   0.00007  -0.00036  -0.00028   2.07145
   R97        2.07539   0.00001   0.00007   0.00037   0.00044   2.07583
   R98        2.08154  -0.00010   0.00009   0.00214   0.00224   2.08377
   R99        2.06961   0.00001   0.00033   0.00011   0.00044   2.07006
   R100       3.28056  -0.00003   0.00068  -0.00098  -0.00030   3.28026
   R101       2.03789   0.00001  -0.00034   0.00002  -0.00032   2.03757
    A1        1.93475   0.00000   0.00001   0.00002   0.00003   1.93478
    A2        1.94456   0.00000   0.00005   0.00003   0.00008   1.94464
    A3        1.96147  -0.00001   0.00040   0.00005   0.00045   1.96191
    A4        1.87394   0.00000  -0.00013   0.00016   0.00003   1.87397
    A5        1.86972   0.00001  -0.00034   0.00000  -0.00034   1.86938
    A6        1.87521   0.00001  -0.00003  -0.00027  -0.00029   1.87492
    A7        1.95148   0.00001   0.00013  -0.00029  -0.00016   1.95132
    A8        1.92678  -0.00002   0.00070  -0.00010   0.00059   1.92738
    A9        1.88858   0.00001  -0.00019  -0.00022  -0.00041   1.88817
   A10        1.92625   0.00000  -0.00074   0.00075   0.00001   1.92626
   A11        1.88940  -0.00001   0.00004  -0.00006  -0.00002   1.88938
   A12        1.87910   0.00000   0.00005  -0.00009  -0.00003   1.87907
   A13        1.96090   0.00000  -0.00016  -0.00001  -0.00017   1.96073
   A14        1.94519   0.00000   0.00003   0.00016   0.00019   1.94538
   A15        1.93476   0.00000   0.00003  -0.00006  -0.00004   1.93473
   A16        1.87483   0.00000  -0.00010   0.00014   0.00005   1.87488
   A17        1.86981   0.00000   0.00030  -0.00033  -0.00003   1.86977
   A18        1.87415   0.00000  -0.00008   0.00009   0.00001   1.87416
   A19        2.21022  -0.00003   0.00080  -0.00018   0.00063   2.21085
   A20        2.11656   0.00003  -0.00101   0.00054  -0.00047   2.11609
   A21        1.95640   0.00000   0.00021  -0.00036  -0.00015   1.95624
   A22        1.96141   0.00000  -0.00011   0.00029   0.00019   1.96160
   A23        2.05139  -0.00005   0.00170  -0.00042   0.00128   2.05268
   A24        2.01119  -0.00001   0.00026  -0.00033  -0.00007   2.01112
   A25        2.22059   0.00006  -0.00196   0.00075  -0.00121   2.21938
   A26        1.97921  -0.00002  -0.00010  -0.00150  -0.00159   1.97762
   A27        1.92215   0.00000   0.00125   0.00079   0.00204   1.92419
   A28        1.92109   0.00001  -0.00080  -0.00050  -0.00129   1.91980
   A29        1.92077   0.00003  -0.00112   0.00007  -0.00104   1.91973
   A30        1.87948   0.00000  -0.00039   0.00102   0.00062   1.88011
   A31        1.83518  -0.00002   0.00120   0.00024   0.00145   1.83662
   A32        1.98733  -0.00006   0.00048   0.00112   0.00159   1.98891
   A33        2.11433   0.00005  -0.00107   0.00197   0.00088   2.11521
   A34        2.00856   0.00002  -0.00015   0.00223   0.00207   2.01063
   A35        1.89562  -0.00001  -0.00055  -0.00016  -0.00071   1.89490
   A36        1.92389   0.00001   0.00046   0.00128   0.00174   1.92563
   A37        1.96632   0.00000   0.00022  -0.00117  -0.00095   1.96537
   A38        1.89017  -0.00001   0.00015  -0.00062  -0.00047   1.88971
   A39        1.89787   0.00000  -0.00075   0.00072  -0.00003   1.89784
   A40        1.88844   0.00000   0.00047  -0.00005   0.00041   1.88885
   A41        2.12923   0.00001   0.00042  -0.00022   0.00020   2.12943
   A42        2.05075   0.00004  -0.00004   0.00086   0.00083   2.05158
   A43        2.10243  -0.00006  -0.00033  -0.00065  -0.00098   2.10145
   A44        2.02494  -0.00002  -0.00126  -0.00121  -0.00247   2.02247
   A45        2.06442   0.00002  -0.00060  -0.00027  -0.00087   2.06355
   A46        1.98815   0.00000  -0.00033   0.00055   0.00023   1.98837
   A47        1.92497   0.00007   0.00021   0.00119   0.00140   1.92637
   A48        1.90526   0.00013  -0.00012  -0.00059  -0.00072   1.90454
   A49        1.87342  -0.00007   0.00019  -0.00096  -0.00077   1.87265
   A50        1.94340  -0.00033   0.00031   0.00090   0.00121   1.94462
   A51        1.91359   0.00013  -0.00079  -0.00154  -0.00232   1.91127
   A52        1.90171   0.00008   0.00019   0.00093   0.00112   1.90284
   A53        2.15118  -0.00006   0.00217   0.00400   0.00616   2.15734
   A54        2.01791   0.00019  -0.00131  -0.00374  -0.00505   2.01286
   A55        2.11396  -0.00014  -0.00096  -0.00032  -0.00130   2.11266
   A56        2.12437  -0.00036  -0.00111   0.00062  -0.00084   2.12352
   A57        2.12288   0.00018   0.00124   0.00078   0.00166   2.12454
   A58        2.03547   0.00018   0.00021  -0.00052  -0.00067   2.03480
   A59        1.91628   0.00011   0.00139   0.00240   0.00380   1.92008
   A60        1.92497  -0.00012  -0.00185  -0.00362  -0.00547   1.91951
   A61        1.87710  -0.00001   0.00042   0.00078   0.00118   1.87828
   A62        1.96090  -0.00001   0.00039   0.00174   0.00214   1.96304
   A63        1.88512  -0.00003  -0.00086   0.00122   0.00036   1.88548
   A64        1.89704   0.00006   0.00052  -0.00251  -0.00199   1.89504
   A65        1.99653  -0.00003   0.00034  -0.00075  -0.00041   1.99612
   A66        1.89485   0.00003  -0.00066  -0.00021  -0.00087   1.89399
   A67        1.89927  -0.00001  -0.00007   0.00116   0.00109   1.90036
   A68        1.91828   0.00000   0.00006   0.00011   0.00017   1.91846
   A69        1.92259   0.00001   0.00023  -0.00011   0.00012   1.92271
   A70        1.82417   0.00000   0.00006  -0.00014  -0.00009   1.82408
   A71        2.09401   0.00000   0.00005  -0.00020  -0.00015   2.09387
   A72        2.10374  -0.00001  -0.00011   0.00022   0.00011   2.10386
   A73        2.08540   0.00000   0.00006  -0.00002   0.00004   2.08543
   A74        2.09687   0.00000  -0.00006   0.00001  -0.00005   2.09683
   A75        2.09738  -0.00001   0.00020  -0.00008   0.00011   2.09749
   A76        2.08883   0.00000  -0.00014   0.00007  -0.00006   2.08876
   A77        2.09864   0.00000   0.00001   0.00001   0.00002   2.09867
   A78        2.09052   0.00001  -0.00014   0.00003  -0.00011   2.09041
   A79        2.09401   0.00000   0.00012  -0.00004   0.00008   2.09410
   A80        2.08980   0.00000   0.00003   0.00000   0.00003   2.08984
   A81        2.09685   0.00000   0.00016  -0.00007   0.00008   2.09693
   A82        2.09652   0.00001  -0.00018   0.00007  -0.00012   2.09640
   A83        2.09919   0.00000  -0.00001   0.00000  -0.00001   2.09918
   A84        2.09285   0.00000  -0.00007   0.00007   0.00000   2.09286
   A85        2.09114   0.00000   0.00008  -0.00007   0.00001   2.09115
   A86        2.09641   0.00000  -0.00003  -0.00001  -0.00003   2.09637
   A87        2.09753   0.00000  -0.00016   0.00000  -0.00016   2.09737
   A88        2.08923   0.00000   0.00018   0.00000   0.00018   2.08941
   A89        1.94385   0.00027   0.00072  -0.00355  -0.00283   1.94103
   A90        1.93305  -0.00002   0.00109   0.00145   0.00255   1.93560
   A91        1.90895  -0.00014  -0.00063  -0.00011  -0.00073   1.90822
   A92        1.90210  -0.00019   0.00062   0.00400   0.00463   1.90673
   A93        1.93645   0.00000  -0.00021   0.00118   0.00097   1.93742
   A94        1.83669   0.00006  -0.00172  -0.00287  -0.00459   1.83210
   A95        1.89252   0.00018   0.00489   0.00573   0.01064   1.90316
   A96        2.00851   0.00008   0.00200   0.00324   0.00524   2.01374
   A97        1.93815  -0.00008   0.00056   0.00053   0.00110   1.93925
   A98        1.78788  -0.00031  -0.00596  -0.00226  -0.00826   1.77962
   A99        1.90036   0.00011  -0.00176  -0.00515  -0.00694   1.89342
   A100       1.92792   0.00003  -0.00027  -0.00259  -0.00289   1.92503
   A101       1.92333   0.00031   0.00302  -0.00057   0.00246   1.92579
   A102       1.94895   0.00001   0.00050  -0.00086  -0.00037   1.94858
   A103       1.88993   0.00003  -0.00206  -0.00121  -0.00328   1.88665
   A104       1.90653  -0.00002  -0.00050   0.00120   0.00070   1.90722
   A105       1.95087  -0.00009   0.00361   0.00277   0.00638   1.95726
   A106       1.91878   0.00003  -0.00097   0.00017  -0.00080   1.91798
   A107       1.84545   0.00004  -0.00071  -0.00214  -0.00286   1.84259
   A108       1.94804   0.00002  -0.00087   0.00101   0.00014   1.94817
   A109       1.92042  -0.00003   0.00114   0.00131   0.00245   1.92287
   A110       1.91141  -0.00001   0.00008  -0.00053  -0.00045   1.91096
   A111       1.92323   0.00000  -0.00051  -0.00109  -0.00160   1.92163
   A112       1.92573   0.00000   0.00115  -0.00121  -0.00006   1.92567
   A113       1.83156   0.00002  -0.00097   0.00048  -0.00049   1.83107
   A114       2.09331  -0.00002  -0.00024  -0.00069  -0.00093   2.09238
   A115       2.10023   0.00002   0.00012   0.00041   0.00053   2.10076
   A116       2.08964   0.00000   0.00013   0.00027   0.00040   2.09004
   A117       2.09469   0.00000  -0.00007  -0.00004  -0.00010   2.09459
   A118       2.08882   0.00001  -0.00034  -0.00051  -0.00085   2.08796
   A119       2.09966  -0.00001   0.00041   0.00055   0.00096   2.10062
   A120       2.09829   0.00000   0.00004  -0.00015  -0.00011   2.09818
   A121       2.09133   0.00000   0.00007   0.00015   0.00022   2.09155
   A122       2.09356   0.00000  -0.00011   0.00000  -0.00011   2.09345
   A123       2.09119   0.00000   0.00002   0.00008   0.00010   2.09129
   A124       2.09561   0.00000  -0.00015  -0.00017  -0.00032   2.09529
   A125       2.09639  -0.00001   0.00013   0.00009   0.00022   2.09660
   A126       2.09864   0.00000  -0.00005   0.00011   0.00005   2.09869
   A127       2.09335  -0.00001   0.00018   0.00007   0.00025   2.09360
   A128       2.09120   0.00000  -0.00012  -0.00018  -0.00030   2.09090
   A129       2.09392   0.00000  -0.00007  -0.00027  -0.00034   2.09359
   A130       2.09895  -0.00001   0.00036   0.00032   0.00067   2.09962
   A131       2.09031   0.00002  -0.00029  -0.00005  -0.00034   2.08998
   A132       2.06687  -0.00033   0.00260   0.00011   0.00271   2.06958
   A133       1.97209   0.00014  -0.00285  -0.00067  -0.00352   1.96857
   A134       2.01940   0.00013  -0.00235   0.00022  -0.00214   2.01726
   A135       2.25028  -0.00012   0.00114  -0.00001   0.00112   2.25140
   A136       1.90622   0.00013  -0.00076   0.00159   0.00082   1.90704
   A137       2.12573  -0.00001  -0.00049  -0.00174  -0.00224   2.12349
   A138       2.02040  -0.00015   0.00197  -0.00492  -0.00295   2.01745
   A139       1.92424   0.00009   0.00040  -0.00033   0.00007   1.92431
   A140       1.75765  -0.00003  -0.00085   0.00229   0.00144   1.75909
   A141       1.88958  -0.00002  -0.00079   0.00099   0.00019   1.88978
   A142       1.98288  -0.00002  -0.00061  -0.00058  -0.00120   1.98168
   A143       1.96750  -0.00002   0.00077  -0.00101  -0.00025   1.96726
   A144       1.92890   0.00000   0.00089  -0.00091  -0.00003   1.92887
   A145       2.27575  -0.00001  -0.00016   0.00385   0.00369   2.27944
   A146       2.09302  -0.00001   0.00069  -0.00358  -0.00289   2.09013
   A147       1.91425   0.00002  -0.00052  -0.00021  -0.00074   1.91351
   A148       2.01264  -0.00004   0.00073   0.00010   0.00083   2.01347
   A149       2.21924   0.00000  -0.00021   0.00137   0.00116   2.22040
   A150       2.05127   0.00004  -0.00055  -0.00144  -0.00198   2.04929
   A151       1.94618   0.00001  -0.00042   0.00029  -0.00013   1.94606
   A152       1.98179  -0.00002   0.00051   0.00040   0.00091   1.98269
   A153       2.18222   0.00000  -0.00047   0.00090   0.00043   2.18265
   A154       2.11851   0.00001  -0.00010  -0.00134  -0.00145   2.11707
   A155       1.56966   0.00003  -0.00030  -0.00064  -0.00094   1.56872
   A156       1.96630   0.00001   0.00002   0.00091   0.00093   1.96724
   A157       1.92460   0.00018   0.00070   0.00015   0.00085   1.92545
   A158       1.85662  -0.00007   0.00021   0.00002   0.00023   1.85685
   A159       1.93313  -0.00036  -0.00148   0.00134  -0.00014   1.93298
   A160       1.88988   0.00016   0.00175  -0.00111   0.00064   1.89052
   A161       1.88988   0.00010  -0.00115  -0.00152  -0.00267   1.88721
   A162       1.95707   0.00006   0.00057  -0.00051   0.00006   1.95713
   A163       1.96524  -0.00029   0.00084   0.00274   0.00357   1.96882
   A164       1.94225   0.00003   0.00154  -0.00161  -0.00006   1.94219
   A165       1.85441   0.00014   0.00094  -0.00004   0.00089   1.85530
   A166       1.86694  -0.00001  -0.00120  -0.00087  -0.00207   1.86487
   A167       1.87193   0.00008  -0.00297   0.00023  -0.00274   1.86919
   A168       1.93175   0.00006  -0.00086  -0.00072  -0.00158   1.93017
   A169       1.96427  -0.00024  -0.00151  -0.00001  -0.00152   1.96275
   A170       1.96077   0.00008   0.00056   0.00019   0.00075   1.96152
   A171       1.85546   0.00004   0.00145   0.00089   0.00233   1.85780
   A172       1.86259  -0.00004  -0.00051   0.00155   0.00105   1.86364
   A173       1.88301   0.00012   0.00099  -0.00179  -0.00080   1.88220
   A174       1.91623   0.00000   0.00004   0.00002   0.00006   1.91629
   A175       2.23758   0.00000  -0.00005  -0.00079  -0.00084   2.23674
   A176       2.12933   0.00000   0.00000   0.00077   0.00077   2.13010
   A177       1.57954   0.00002  -0.00041   0.00038  -0.00002   1.57952
    D1        1.08585   0.00001  -0.00403  -0.00283  -0.00686   1.07899
    D2       -3.04569   0.00001  -0.00438  -0.00215  -0.00653  -3.05222
    D3       -0.99339   0.00000  -0.00404  -0.00244  -0.00648  -0.99987
    D4       -3.11154   0.00001  -0.00416  -0.00259  -0.00675  -3.11829
    D5       -0.95989   0.00001  -0.00451  -0.00191  -0.00642  -0.96631
    D6        1.09241   0.00000  -0.00417  -0.00220  -0.00637   1.08604
    D7       -1.00588   0.00000  -0.00388  -0.00287  -0.00675  -1.01263
    D8        1.14577   0.00000  -0.00423  -0.00219  -0.00643   1.13934
    D9       -3.08512   0.00000  -0.00389  -0.00249  -0.00637  -3.09149
   D10        1.00225  -0.00001   0.00032  -0.00675  -0.00643   0.99581
   D11        3.10747  -0.00001   0.00010  -0.00646  -0.00636   3.10111
   D12       -1.08922  -0.00001   0.00003  -0.00628  -0.00625  -1.09547
   D13       -1.14970   0.00001  -0.00014  -0.00695  -0.00709  -1.15679
   D14        0.95552   0.00001  -0.00036  -0.00666  -0.00702   0.94850
   D15        3.04201   0.00000  -0.00043  -0.00648  -0.00691   3.03511
   D16        3.08100   0.00001   0.00019  -0.00724  -0.00705   3.07395
   D17       -1.09696   0.00001  -0.00003  -0.00694  -0.00698  -1.10394
   D18        0.98953   0.00000  -0.00010  -0.00677  -0.00686   0.98267
   D19        2.06808  -0.00001   0.00975  -0.00306   0.00669   2.07477
   D20       -1.07609  -0.00001   0.00980  -0.00285   0.00696  -1.06914
   D21       -2.04888  -0.00001   0.00989  -0.00298   0.00692  -2.04196
   D22        1.09014  -0.00001   0.00994  -0.00277   0.00718   1.09732
   D23        0.00994  -0.00002   0.00957  -0.00268   0.00688   0.01682
   D24       -3.13423  -0.00001   0.00961  -0.00247   0.00714  -3.12708
   D25       -3.13951   0.00000  -0.00128   0.00069  -0.00059  -3.14010
   D26        0.00446   0.00000  -0.00132   0.00049  -0.00083   0.00363
   D27        3.14051   0.00000   0.00133  -0.00056   0.00077   3.14127
   D28       -0.00332   0.00000   0.00137  -0.00038   0.00099  -0.00232
   D29        3.13194   0.00000   0.00160   0.00047   0.00207   3.13402
   D30       -0.00372   0.00000   0.00056  -0.00039   0.00017  -0.00355
   D31        1.89821   0.00000  -0.05744   0.00088  -0.05656   1.84165
   D32       -2.22396   0.00003  -0.05802   0.00049  -0.05753  -2.28149
   D33       -0.20841   0.00001  -0.05630   0.00095  -0.05535  -0.26376
   D34       -1.25012   0.00000  -0.05624   0.00185  -0.05439  -1.30451
   D35        0.91090   0.00003  -0.05682   0.00146  -0.05536   0.85554
   D36        2.92645   0.00001  -0.05510   0.00192  -0.05318   2.87327
   D37        0.00110   0.00001   0.00050   0.00009   0.00059   0.00168
   D38       -3.13027   0.00000   0.00106   0.00078   0.00184  -3.12843
   D39       -3.13390   0.00001  -0.00068  -0.00086  -0.00154  -3.13544
   D40        0.01792   0.00000  -0.00012  -0.00017  -0.00029   0.01763
   D41       -1.23944   0.00002  -0.00759  -0.00533  -0.01292  -1.25236
   D42        1.27369   0.00003  -0.00880   0.00401  -0.00479   1.26889
   D43        2.88198   0.00001  -0.00830  -0.00533  -0.01363   2.86835
   D44       -0.88808   0.00002  -0.00952   0.00401  -0.00551  -0.89359
   D45        0.89052   0.00002  -0.00894  -0.00620  -0.01514   0.87537
   D46       -2.87954   0.00003  -0.01015   0.00313  -0.00702  -2.88656
   D47       -1.18366   0.00000  -0.01059  -0.00968  -0.02026  -1.20393
   D48        3.03127   0.00001  -0.01071  -0.00958  -0.02028   3.01099
   D49        0.91996   0.00000  -0.01178  -0.00962  -0.02139   0.89856
   D50        2.54698  -0.00002  -0.00909  -0.01836  -0.02745   2.51953
   D51        0.47873  -0.00001  -0.00921  -0.01826  -0.02746   0.45126
   D52       -1.63259  -0.00002  -0.01027  -0.01830  -0.02858  -1.66117
   D53       -2.77156   0.00001   0.00095  -0.00709  -0.00614  -2.77770
   D54        0.41209   0.00003  -0.00046  -0.00690  -0.00736   0.40473
   D55       -0.26551   0.00000  -0.00007   0.00199   0.00191  -0.26360
   D56        2.91814   0.00002  -0.00148   0.00217   0.00070   2.91883
   D57        2.84000  -0.00003   0.00403   0.00554   0.00957   2.84957
   D58        0.38270  -0.00002   0.00730   0.00667   0.01397   0.39666
   D59       -0.26021  -0.00001   0.00263   0.00572   0.00835  -0.25187
   D60       -2.71752   0.00000   0.00590   0.00685   0.01274  -2.70477
   D61       -1.43027  -0.00014  -0.01143   0.00198  -0.00945  -1.43972
   D62        2.71239   0.00014  -0.01188   0.00048  -0.01140   2.70099
   D63        0.65361   0.00001  -0.01215   0.00023  -0.01192   0.64169
   D64        1.05661  -0.00013  -0.01464   0.00062  -0.01402   1.04259
   D65       -1.08392   0.00014  -0.01509  -0.00089  -0.01598  -1.09989
   D66        3.14049   0.00002  -0.01536  -0.00114  -0.01650   3.12400
   D67       -0.57235  -0.00004   0.01187   0.01917   0.03103  -0.54132
   D68        2.58686   0.00015   0.01726   0.02338   0.04064   2.62750
   D69        1.54564  -0.00004   0.01207   0.01984   0.03190   1.57754
   D70       -1.57833   0.00014   0.01746   0.02404   0.04151  -1.53682
   D71       -2.63169  -0.00008   0.01198   0.02056   0.03254  -2.59915
   D72        0.52753   0.00011   0.01738   0.02477   0.04215   0.56968
   D73        1.19995   0.00016   0.02006   0.02320   0.04326   1.24322
   D74       -2.91361  -0.00017   0.01866   0.02575   0.04441  -2.86920
   D75       -0.86809   0.00001   0.01778   0.02403   0.04181  -0.82628
   D76       -0.92949   0.00019   0.01967   0.02152   0.04119  -0.88830
   D77        1.24013  -0.00013   0.01827   0.02406   0.04234   1.28247
   D78       -2.99753   0.00004   0.01739   0.02235   0.03974  -2.95779
   D79       -3.04231   0.00019   0.02033   0.02225   0.04258  -2.99974
   D80       -0.87269  -0.00013   0.01893   0.02479   0.04372  -0.82897
   D81        1.17283   0.00004   0.01805   0.02308   0.04112   1.21395
   D82        3.12505  -0.00027   0.00404   0.00442   0.00848   3.13354
   D83        0.01757  -0.00018  -0.02679  -0.02717  -0.05397  -0.03640
   D84        0.00067  -0.00008   0.00926   0.00848   0.01774   0.01842
   D85       -3.10681   0.00000  -0.02157  -0.02312  -0.04471   3.13167
   D86        2.45633   0.00001  -0.02968  -0.02883  -0.05848   2.39784
   D87       -1.65685  -0.00001  -0.02948  -0.02744  -0.05691  -1.71375
   D88        0.40927  -0.00001  -0.02965  -0.03202  -0.06166   0.34762
   D89       -0.71775  -0.00007  -0.00032   0.00129   0.00096  -0.71679
   D90        1.45226  -0.00009  -0.00012   0.00267   0.00254   1.45480
   D91       -2.76480  -0.00009  -0.00029  -0.00191  -0.00221  -2.76702
   D92        1.04070  -0.00004  -0.00211  -0.00695  -0.00906   1.03164
   D93       -1.10858  -0.00003  -0.00193  -0.00642  -0.00834  -1.11692
   D94       -3.08419  -0.00004  -0.00162  -0.00673  -0.00835  -3.09255
   D95       -1.10831   0.00005  -0.00102  -0.00525  -0.00628  -1.11458
   D96        3.02559   0.00005  -0.00084  -0.00472  -0.00556   3.02003
   D97        1.04998   0.00004  -0.00053  -0.00504  -0.00557   1.04441
   D98        3.08274  -0.00001  -0.00133  -0.00401  -0.00534   3.07740
   D99        0.93345  -0.00001  -0.00115  -0.00347  -0.00463   0.92883
   D100      -1.04216  -0.00002  -0.00085  -0.00379  -0.00464  -1.04679
   D101       1.17162  -0.00013  -0.02250  -0.01094  -0.03344   1.13818
   D102      -0.94822  -0.00006  -0.02455  -0.01462  -0.03916  -0.98738
   D103      -2.96479  -0.00005  -0.02271  -0.01191  -0.03462  -2.99940
   D104      -2.96744  -0.00009  -0.02177  -0.00925  -0.03102  -2.99845
   D105       1.19591  -0.00002  -0.02382  -0.01292  -0.03673   1.15917
   D106      -0.82066   0.00000  -0.02198  -0.01021  -0.03219  -0.85285
   D107      -0.88224  -0.00008  -0.02225  -0.00831  -0.03057  -0.91280
   D108      -3.00208  -0.00002  -0.02430  -0.01198  -0.03629  -3.03836
   D109       1.26454   0.00000  -0.02246  -0.00927  -0.03174   1.23280
   D110      -1.64604  -0.00001   0.00217  -0.00274  -0.00057  -1.64661
   D111       1.50392  -0.00001   0.00183  -0.00320  -0.00138   1.50254
   D112       0.49055   0.00001   0.00159  -0.00346  -0.00187   0.48868
   D113      -2.64268   0.00001   0.00125  -0.00392  -0.00267  -2.64535
   D114       2.49142   0.00001   0.00183  -0.00363  -0.00180   2.48962
   D115      -0.64181   0.00001   0.00149  -0.00410  -0.00261  -0.64442
   D116       3.14020   0.00000  -0.00034  -0.00025  -0.00060   3.13960
   D117      -0.01692   0.00000  -0.00056  -0.00003  -0.00059  -0.01751
   D118      -0.00967   0.00000  -0.00001   0.00021   0.00020  -0.00947
   D119       3.11640   0.00000  -0.00022   0.00044   0.00021   3.11661
   D120      -3.13960   0.00000   0.00024   0.00065   0.00090  -3.13871
   D121       0.00882  -0.00001   0.00057   0.00161   0.00218   0.01099
   D122       0.01031   0.00000  -0.00010   0.00019   0.00009   0.01040
   D123      -3.12445  -0.00001   0.00023   0.00115   0.00137  -3.12308
   D124       0.00167   0.00000   0.00007  -0.00051  -0.00044   0.00123
   D125       3.13844   0.00000   0.00016  -0.00087  -0.00071   3.13773
   D126      -3.12447   0.00000   0.00028  -0.00073  -0.00045  -3.12492
   D127       0.01229   0.00000   0.00038  -0.00109  -0.00072   0.01158
   D128       0.00574   0.00000  -0.00003   0.00041   0.00038   0.00612
   D129       3.14147   0.00000  -0.00004  -0.00014  -0.00018   3.14129
   D130      -3.13102   0.00000  -0.00012   0.00077   0.00065  -3.13038
   D131       0.00471   0.00000  -0.00014   0.00022   0.00009   0.00480
   D132      -0.00509   0.00000  -0.00008   0.00000  -0.00008  -0.00517
   D133       3.13378   0.00000  -0.00014  -0.00032  -0.00046   3.13332
   D134      -3.14083   0.00000  -0.00006   0.00054   0.00048  -3.14035
   D135      -0.00195   0.00000  -0.00013   0.00023   0.00010  -0.00186
   D136      -0.00296   0.00000   0.00014  -0.00029  -0.00015  -0.00312
   D137       3.13183   0.00000  -0.00019  -0.00125  -0.00143   3.13040
   D138       3.14135   0.00000   0.00021   0.00002   0.00022   3.14157
   D139      -0.00704   0.00000  -0.00012  -0.00094  -0.00105  -0.00810
   D140      -1.82478  -0.00018  -0.01123  -0.01098  -0.02221  -1.84699
   D141       2.46883   0.00004  -0.00820  -0.01382  -0.02203   2.44681
   D142       0.26245   0.00001  -0.00996  -0.01337  -0.02333   0.23912
   D143       0.31298  -0.00016  -0.00895  -0.00875  -0.01770   0.29528
   D144      -1.67659   0.00007  -0.00592  -0.01159  -0.01752  -1.69411
   D145       2.40021   0.00004  -0.00768  -0.01114  -0.01882   2.38139
   D146       2.32745  -0.00019  -0.01079  -0.00920  -0.01998   2.30747
   D147       0.33788   0.00003  -0.00775  -0.01204  -0.01980   0.31808
   D148      -1.86850   0.00000  -0.00951  -0.01159  -0.02111  -1.88960
   D149       1.51312  -0.00008  -0.12529  -0.15269  -0.27799   1.23513
   D150      -2.63944  -0.00007  -0.12389  -0.14747  -0.27138  -2.91081
   D151      -0.59764  -0.00015  -0.12785  -0.15371  -0.28153  -0.87917
   D152      -1.01629   0.00002   0.02270   0.01676   0.03946  -0.97683
   D153       3.11170   0.00010   0.01925   0.01468   0.03393  -3.13756
   D154       1.10986   0.00004   0.02146   0.01723   0.03869   1.14855
   D155      -3.06590  -0.00004   0.01964   0.00969   0.02935  -3.03656
   D156       1.06209   0.00004   0.01619   0.00761   0.02382   1.08591
   D157      -0.93975  -0.00001   0.01840   0.01016   0.02858  -0.91117
   D158       1.19532  -0.00001   0.02486   0.01789   0.04274   1.23806
   D159      -0.95987   0.00007   0.02141   0.01581   0.03721  -0.92266
   D160      -2.96172   0.00002   0.02362   0.01836   0.04197  -2.91974
   D161       2.96761   0.00004  -0.00964   0.01445   0.00481   2.97241
   D162      -1.17475   0.00003  -0.01009   0.01467   0.00458  -1.17017
   D163       0.82990   0.00003  -0.01057   0.01568   0.00511   0.83501
   D164      -1.19530   0.00002  -0.00938   0.01424   0.00486  -1.19044
   D165       0.94553   0.00001  -0.00983   0.01446   0.00463   0.95016
   D166       2.95018   0.00002  -0.01031   0.01547   0.00516   2.95534
   D167       0.84853   0.00004  -0.00867   0.01339   0.00472   0.85325
   D168       2.98936   0.00003  -0.00912   0.01361   0.00449   2.99386
   D169      -1.28917   0.00004  -0.00960   0.01462   0.00502  -1.28415
   D170       1.10412  -0.00003   0.01989   0.02090   0.04079   1.14492
   D171      -1.33827  -0.00001   0.02440   0.02128   0.04568  -1.29259
   D172      -1.04990  -0.00001   0.01833   0.02101   0.03934  -1.01056
   D173       2.79089   0.00001   0.02284   0.02139   0.04423   2.83511
   D174      -3.13747  -0.00002   0.01795   0.02061   0.03856  -3.09891
   D175       0.70332   0.00000   0.02246   0.02099   0.04345   0.74677
   D176       1.65998   0.00000  -0.00241   0.00312   0.00071   1.66068
   D177      -1.48394   0.00000  -0.00213   0.00242   0.00029  -1.48365
   D178      -0.47925   0.00002  -0.00291   0.00153  -0.00139  -0.48063
   D179       2.66002   0.00002  -0.00263   0.00083  -0.00180   2.65822
   D180      -2.49373   0.00000  -0.00210   0.00228   0.00019  -2.49355
   D181       0.64553   0.00000  -0.00182   0.00159  -0.00023   0.64530
   D182       3.13647   0.00000   0.00054   0.00008   0.00062   3.13709
   D183      -0.01242   0.00000   0.00099   0.00039   0.00138  -0.01104
   D184      -0.00281   0.00000   0.00026   0.00077   0.00103  -0.00178
   D185       3.13148   0.00000   0.00071   0.00109   0.00180   3.13328
   D186      -3.13612   0.00000  -0.00048   0.00003  -0.00045  -3.13658
   D187       0.00588   0.00000  -0.00050   0.00018  -0.00031   0.00557
   D188       0.00315   0.00000  -0.00020  -0.00067  -0.00087   0.00228
   D189      -3.13803   0.00000  -0.00022  -0.00051  -0.00073  -3.13876
   D190       0.00028   0.00000  -0.00013  -0.00032  -0.00045  -0.00016
   D191       3.14087   0.00000  -0.00010  -0.00033  -0.00043   3.14044
   D192      -3.13396   0.00000  -0.00059  -0.00062  -0.00121  -3.13517
   D193       0.00662   0.00000  -0.00056  -0.00064  -0.00120   0.00543
   D194       0.00191   0.00000  -0.00005  -0.00025  -0.00030   0.00161
   D195      -3.14056   0.00000   0.00000  -0.00033  -0.00033  -3.14089
   D196      -3.13867   0.00000  -0.00008  -0.00024  -0.00032  -3.13899
   D197       0.00204   0.00000  -0.00003  -0.00031  -0.00034   0.00170
   D198      -0.00157   0.00000   0.00011   0.00035   0.00047  -0.00110
   D199       3.13994   0.00000   0.00010   0.00037   0.00047   3.14040
   D200       3.14091   0.00000   0.00006   0.00043   0.00049   3.14139
   D201      -0.00077   0.00000   0.00004   0.00044   0.00049  -0.00029
   D202      -0.00096   0.00000   0.00001   0.00011   0.00012  -0.00084
   D203       3.14022   0.00000   0.00003  -0.00005  -0.00001   3.14020
   D204       3.14072   0.00000   0.00003   0.00010   0.00012   3.14084
   D205      -0.00129   0.00000   0.00005  -0.00006  -0.00001  -0.00130
   D206       0.58066  -0.00002   0.00266  -0.01372  -0.01106   0.56961
   D207      -2.60806  -0.00002   0.00007  -0.01785  -0.01778  -2.62584
   D208       3.00472  -0.00004  -0.00209  -0.01445  -0.01654   2.98818
   D209      -0.18400  -0.00004  -0.00468  -0.01858  -0.02326  -0.20727
   D210       3.09455  -0.00001   0.00547  -0.00859  -0.00312   3.09143
   D211      -0.09018  -0.00002   0.00316  -0.01233  -0.00916  -0.09934
   D212      -1.15090  -0.00002  -0.00242  -0.00072  -0.00314  -1.15404
   D213       3.03301  -0.00002  -0.00143  -0.00114  -0.00257   3.03044
   D214       1.00881   0.00000  -0.00173  -0.00154  -0.00327   1.00554
   D215      -2.04756   0.00000  -0.00847  -0.00486  -0.01334  -2.06089
   D216       1.07241  -0.00001  -0.00804  -0.00117  -0.00921   1.06320
   D217      -0.08981   0.00000  -0.00963  -0.00257  -0.01220  -0.10202
   D218       3.03015   0.00000  -0.00919   0.00112  -0.00807   3.02208
   D219       2.12179  -0.00003  -0.00827  -0.00520  -0.01347   2.10832
   D220      -1.04144  -0.00003  -0.00783  -0.00151  -0.00934  -1.05077
   D221       3.13598   0.00001  -0.00135   0.00870   0.00735  -3.13985
   D222      -0.01516   0.00001  -0.00436   0.01179   0.00744  -0.00772
   D223       0.01429   0.00002  -0.00177   0.00534   0.00357   0.01787
   D224      -3.13684   0.00002  -0.00477   0.00843   0.00366  -3.13319
   D225       3.14077  -0.00002   0.00035  -0.00669  -0.00633   3.13444
   D226      -0.01832  -0.00002   0.00070  -0.00365  -0.00294  -0.02126
   D227       0.00018   0.00000   0.00221  -0.00450  -0.00230  -0.00211
   D228      -3.13283   0.00000   0.00491  -0.00730  -0.00239  -3.13522
   D229      -0.01489  -0.00002  -0.00160   0.00144  -0.00017  -0.01505
   D230      -3.11757   0.00000   0.00029   0.00260   0.00289  -3.11468
   D231       0.01952   0.00003   0.00054   0.00127   0.00181   0.02133
   D232       3.12380   0.00000  -0.00128   0.00021  -0.00107   3.12273
   D233      -0.96286   0.00001   0.04448  -0.00112   0.04337  -0.91949
   D234       1.12750   0.00003   0.04670   0.00040   0.04710   1.17460
   D235      -3.05326  -0.00005   0.04456   0.00145   0.04601  -3.00725
   D236      -3.12779   0.00005   0.04468  -0.00301   0.04167  -3.08612
   D237      -1.03743   0.00006   0.04690  -0.00150   0.04540  -0.99202
   D238       1.06500  -0.00001   0.04475  -0.00044   0.04431   1.10931
   D239       1.08560   0.00004   0.04588  -0.00126   0.04461   1.13022
   D240      -3.10722   0.00005   0.04809   0.00025   0.04834  -3.05888
   D241      -1.00479  -0.00002   0.04595   0.00131   0.04726  -0.95754
   D242       2.97374   0.00008  -0.00764  -0.02106  -0.02870   2.94504
   D243      -1.23603   0.00001  -0.00738  -0.02044  -0.02782  -1.26385
   D244       0.89360   0.00004  -0.00678  -0.02266  -0.02945   0.86415
   D245      -1.12085  -0.00004  -0.00818  -0.01880  -0.02698  -1.14784
   D246       0.95256  -0.00011  -0.00792  -0.01818  -0.02610   0.92646
   D247       3.08219  -0.00008  -0.00733  -0.02040  -0.02773   3.05447
   D248       0.94894   0.00000  -0.00761  -0.02030  -0.02791   0.92103
   D249       3.02236  -0.00007  -0.00735  -0.01968  -0.02703   2.99533
   D250      -1.13120  -0.00004  -0.00676  -0.02190  -0.02866  -1.15986
   D251       0.00114  -0.00001  -0.00100   0.00015  -0.00086   0.00029
   D252       3.13326   0.00000  -0.00153  -0.00050  -0.00203   3.13123
         Item               Value     Threshold  Converged?
 Maximum Force            0.000364     0.000450     YES
 RMS     Force            0.000073     0.000300     YES
 Maximum Displacement     0.637559     0.001800     NO 
 RMS     Displacement     0.068072     0.001200     NO 
 Predicted change in Energy=-1.207703D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.829305   -1.948437    0.930614
      2          6           0       -9.317492   -0.896994   -0.058553
      3          6           0      -10.014067    0.453427    0.135522
      4          6           0       -7.834591   -0.740712    0.066077
      5          7           0       -6.942557   -0.962939   -0.868594
      6          6           0       -5.617565   -0.719856   -0.420397
      7          6           0       -4.498778   -0.948295   -1.397604
      8          7           0       -3.913018    0.310358   -1.924988
      9          6           0       -4.799199    1.038017   -2.875776
     10          6           0       -3.091171    1.134375   -1.114186
     11          8           0       -2.906189    2.320030   -1.369164
     12          7           0       -2.434222    0.522951   -0.003329
     13          6           0       -1.307652    1.286111    0.581534
     14          6           0       -0.017232    1.046509   -0.230726
     15          8           0        0.229583   -0.000518   -0.819588
     16          7           0        0.889746    2.100107   -0.230765
     17          6           0        2.185407    2.016463   -0.960454
     18          6           0        2.462148    3.343955   -1.700213
     19          6           0        2.528460    4.550611   -0.805554
     20          6           0        1.383105    5.336977   -0.602451
     21          6           0        1.440128    6.457726    0.230119
     22          6           0        2.637227    6.803706    0.864417
     23          6           0        3.781828    6.027350    0.656959
     24          6           0        3.731183    4.906089   -0.175423
     25          6           0        3.317920    1.638916    0.017503
     26          6           0        3.115700    0.228823    0.582248
     27          8           0        2.671217    0.329316    1.952222
     28          6           0        4.410526   -0.625371    0.724684
     29          6           0        5.159234   -0.747172   -0.612013
     30          6           0        6.517792   -1.366400   -0.431796
     31          6           0        6.688387   -2.746166   -0.623536
     32          6           0        7.949877   -3.323090   -0.462150
     33          6           0        9.047154   -2.529727   -0.109486
     34          6           0        8.878057   -1.155477    0.083464
     35          6           0        7.617740   -0.571800   -0.075943
     36          7           0        4.027231   -1.961975    1.280788
     37          6           0        3.227511   -2.803817    0.505064
     38          8           0        3.190496   -2.924091   -0.709942
     39          8           0        2.457968   -3.604051    1.341310
     40          6           0        1.515636   -4.498724    0.668517
     41          6           0        0.469587   -3.716052   -0.018564
     42          6           0       -0.884564   -3.683771    0.168087
     43          7           0       -1.591152   -2.806438   -0.681817
     44          6           0       -0.778237   -2.173589   -1.508012
     45         16           0        0.916421   -2.591080   -1.286213
     46          6           0       -1.127775    0.869143    2.070526
     47          6           0       -0.560850   -0.541846    2.223899
     48          6           0       -0.252656    1.888746    2.806551
     49          6           0       -5.508748   -0.302367    0.875364
     50         16           0       -7.085417   -0.199157    1.594113
     51          1           0      -10.899795   -2.134343    0.783502
     52          1           0       -9.309652   -2.906414    0.801779
     53          1           0       -9.695904   -1.640311    1.974389
     54          1           0       -9.536643   -1.260583   -1.103401
     55          1           0       -9.900801    0.837985    1.156133
     56          1           0       -9.614604    1.213099   -0.548013
     57          1           0      -11.089531    0.369535   -0.060466
     58          1           0       -3.697999   -1.577027   -0.930133
     59          1           0       -4.868833   -1.544612   -2.271235
     60          1           0       -4.876646    0.449033   -3.804328
     61          1           0       -4.366176    2.025359   -3.126196
     62          1           0       -5.812664    1.198303   -2.472473
     63          1           0       -2.280831   -0.494801   -0.028113
     64          1           0       -1.584390    2.381789    0.536356
     65          1           0        0.691880    2.976995    0.247493
     66          1           0        2.090077    1.198330   -1.733973
     67          1           0        1.674742    3.488320   -2.474117
     68          1           0        3.404904    3.243588   -2.277875
     69          1           0        0.449123    5.084697   -1.104660
     70          1           0        0.548599    7.065826    0.380644
     71          1           0        2.679873    7.676927    1.512175
     72          1           0        4.717856    6.298782    1.143588
     73          1           0        4.629502    4.314714   -0.338673
     74          1           0        3.375352    2.364486    0.856330
     75          1           0        4.294103    1.723033   -0.501302
     76          1           0        2.341502   -0.333068   -0.002316
     77          1           0        1.737510    0.670849    1.988664
     78          1           0        5.080972   -0.157538    1.497780
     79          1           0        4.556672   -1.347169   -1.338232
     80          1           0        5.251493    0.257219   -1.078098
     81          1           0        5.829723   -3.363811   -0.892738
     82          1           0        8.078799   -4.394004   -0.610551
     83          1           0       10.028419   -2.981689    0.014843
     84          1           0        9.729873   -0.536505    0.358908
     85          1           0        7.495254    0.497055    0.077317
     86          1           0        3.792003   -1.924643    2.284907
     87          1           0        1.135494   -5.086553    1.530561
     88          1           0        2.087794   -5.149643   -0.023826
     89          1           0       -1.462229   -4.259027    0.883930
     90          1           0       -1.085611   -1.430535   -2.238973
     91          1           0       -2.151562    0.890178    2.531354
     92          1           0       -1.139995   -1.284442    1.658059
     93          1           0        0.477396   -0.625013    1.869901
     94          1           0       -0.570650   -0.862752    3.271993
     95          1           0       -0.284921    1.714362    3.890622
     96          1           0        0.807866    1.824432    2.511476
     97          1           0       -0.584894    2.919532    2.642051
     98          1           0       -4.613660   -0.049768    1.420899
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0818140      0.0289446      0.0233836
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3661.0784841609 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258475412053     A.U. after   19 cycles
             Convg  =    0.7099D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000018494   -0.000012571    0.000088176
      2        6           0.000040437    0.000080824   -0.000026441
      3        6          -0.000026733   -0.000031585    0.000072973
      4        6           0.000099277   -0.000151445    0.000194737
      5        7           0.000009891    0.000190501   -0.000071039
      6        6          -0.000016870   -0.000166064    0.000068334
      7        6           0.000063305    0.000170257   -0.000029702
      8        7          -0.000104361   -0.000130581   -0.000219699
      9        6          -0.000032190   -0.000002114    0.000061540
     10        6           0.000118338   -0.000174873   -0.000011200
     11        8          -0.000056633    0.000159133    0.000223934
     12        7          -0.000126395   -0.000497826   -0.000489955
     13        6           0.000016101    0.000200091   -0.000157521
     14        6           0.000195267   -0.000721673   -0.000009570
     15        8           0.000009063   -0.000160499   -0.000023962
     16        7          -0.000110330   -0.000029474   -0.000352354
     17        6           0.000122467    0.000116607    0.000105554
     18        6           0.000041142    0.000059987    0.000161464
     19        6          -0.000004414   -0.000024841    0.000023650
     20        6           0.000022999   -0.000026036    0.000059633
     21        6           0.000051036    0.000071214   -0.000016061
     22        6          -0.000079985   -0.000043244    0.000005253
     23        6           0.000007369   -0.000007829   -0.000006738
     24        6           0.000010522    0.000057822   -0.000079285
     25        6          -0.000091961    0.000095518   -0.000321057
     26        6          -0.000333137   -0.000233981    0.000002119
     27        8          -0.000083666    0.000010525    0.000272748
     28        6           0.000462108   -0.000041222    0.000113108
     29        6          -0.000365830    0.000065036    0.000048591
     30        6           0.000149354    0.000023711   -0.000026344
     31        6           0.000053127    0.000106189   -0.000024793
     32        6          -0.000045522    0.000008757    0.000011372
     33        6          -0.000011126    0.000088593    0.000040243
     34        6           0.000112758   -0.000046429   -0.000061994
     35        6          -0.000162479   -0.000068393    0.000061208
     36        7           0.000089236   -0.000105460    0.000072486
     37        6          -0.000228281    0.000442546    0.000098396
     38        8           0.000175305   -0.000300305    0.000176424
     39        8          -0.000052129   -0.000324283   -0.000353378
     40        6           0.000569175    0.000148200    0.000660619
     41        6          -0.000785821   -0.000210303   -0.001290267
     42        6           0.000699636    0.000353886    0.000142483
     43        7          -0.000342309   -0.000096692    0.000334295
     44        6           0.000067295    0.000037229   -0.000150190
     45       16           0.000051193    0.000592686    0.001042865
     46        6          -0.000190385   -0.000044374    0.000135866
     47        6           0.000375234    0.000103874   -0.000083702
     48        6          -0.000301353    0.000139711   -0.000082273
     49        6          -0.000031911   -0.000002552   -0.000044146
     50       16           0.000037325    0.000027723   -0.000038214
     51        1          -0.000000040    0.000033096   -0.000016396
     52        1          -0.000013321   -0.000015669   -0.000013570
     53        1           0.000007587   -0.000005869   -0.000041535
     54        1           0.000001078   -0.000007649   -0.000068514
     55        1          -0.000033747   -0.000000457   -0.000022272
     56        1          -0.000007261    0.000001460   -0.000026696
     57        1           0.000012661    0.000008029   -0.000000252
     58        1           0.000065513    0.000090003    0.000021584
     59        1          -0.000138349   -0.000022771   -0.000000484
     60        1           0.000005575   -0.000001107    0.000013290
     61        1          -0.000025390   -0.000006842    0.000041480
     62        1           0.000029439    0.000014419   -0.000001602
     63        1          -0.000002838    0.000191368    0.000310438
     64        1           0.000035553    0.000137789    0.000097611
     65        1           0.000042809    0.000028637    0.000088851
     66        1           0.000030763    0.000024585   -0.000142985
     67        1          -0.000035152   -0.000055246   -0.000041902
     68        1          -0.000015591    0.000002316    0.000059631
     69        1          -0.000019559   -0.000008447   -0.000013829
     70        1          -0.000010178   -0.000003686    0.000007778
     71        1           0.000014613   -0.000002108    0.000005029
     72        1           0.000004903    0.000003029   -0.000000627
     73        1           0.000009969   -0.000011164    0.000022631
     74        1           0.000044892    0.000079419    0.000018095
     75        1           0.000006989    0.000151506    0.000014172
     76        1           0.000130308   -0.000033566   -0.000071795
     77        1           0.000214141   -0.000068086    0.000064106
     78        1           0.000160347   -0.000085017   -0.000125018
     79        1           0.000145195   -0.000026831    0.000072085
     80        1          -0.000064543   -0.000048403    0.000086149
     81        1          -0.000060732   -0.000061972    0.000035972
     82        1           0.000021266   -0.000010618   -0.000013414
     83        1          -0.000012253   -0.000020337   -0.000010305
     84        1          -0.000021453   -0.000000839    0.000013070
     85        1           0.000049523    0.000019470    0.000009032
     86        1          -0.000374578    0.000046187   -0.000039371
     87        1          -0.000265890   -0.000197494   -0.000670648
     88        1           0.000069441    0.000056312    0.000005332
     89        1          -0.000150969   -0.000007111   -0.000074646
     90        1          -0.000021816    0.000251758    0.000033526
     91        1           0.000161411    0.000089318   -0.000019166
     92        1           0.000045406   -0.000089054   -0.000060652
     93        1          -0.000132591   -0.000075736   -0.000109856
     94        1          -0.000103431   -0.000172260    0.000017294
     95        1          -0.000071487   -0.000016226   -0.000018386
     96        1           0.000146569    0.000194598    0.000134733
     97        1           0.000059157   -0.000019513    0.000088853
     98        1           0.000019414   -0.000045188    0.000034998
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001290267 RMS     0.000189834

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003692725 RMS     0.000445284
 Search for a local minimum.
 Step number  72 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   68   69   70   72
 DE= -1.82D-05 DEPred=-1.21D-04 R= 1.51D-01
 Trust test= 1.51D-01 RLast= 2.44D-01 DXMaxT set to 3.13D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---   -0.00002   0.00027   0.00151   0.00198   0.00231
     Eigenvalues ---    0.00288   0.00361   0.00370   0.00476   0.00538
     Eigenvalues ---    0.00663   0.00735   0.00779   0.00800   0.00893
     Eigenvalues ---    0.00920   0.00974   0.01088   0.01134   0.01182
     Eigenvalues ---    0.01300   0.01310   0.01413   0.01444   0.01475
     Eigenvalues ---    0.01549   0.01605   0.01681   0.01729   0.01753
     Eigenvalues ---    0.01926   0.01984   0.02095   0.02105   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02237   0.02258   0.02268
     Eigenvalues ---    0.02290   0.02327   0.02369   0.02386   0.02404
     Eigenvalues ---    0.02409   0.02415   0.02448   0.02482   0.02485
     Eigenvalues ---    0.02525   0.02527   0.02529   0.02650   0.02695
     Eigenvalues ---    0.02729   0.02951   0.03304   0.03441   0.03632
     Eigenvalues ---    0.04011   0.04119   0.04164   0.04196   0.04401
     Eigenvalues ---    0.04573   0.04747   0.04869   0.04963   0.05019
     Eigenvalues ---    0.05108   0.05192   0.05235   0.05332   0.05396
     Eigenvalues ---    0.05442   0.05470   0.05490   0.05538   0.05576
     Eigenvalues ---    0.05649   0.05719   0.05744   0.05835   0.05855
     Eigenvalues ---    0.05974   0.05995   0.06059   0.06161   0.06215
     Eigenvalues ---    0.06504   0.06772   0.06886   0.07087   0.07117
     Eigenvalues ---    0.07523   0.08154   0.08344   0.08546   0.08720
     Eigenvalues ---    0.09277   0.09649   0.09873   0.10317   0.11355
     Eigenvalues ---    0.12131   0.12897   0.13121   0.13296   0.13451
     Eigenvalues ---    0.13794   0.13929   0.14423   0.15071   0.15418
     Eigenvalues ---    0.15676   0.15741   0.15873   0.15957   0.15978
     Eigenvalues ---    0.15981   0.15985   0.15994   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16001   0.16003   0.16004   0.16006   0.16015
     Eigenvalues ---    0.16026   0.16061   0.16084   0.16115   0.16139
     Eigenvalues ---    0.16181   0.16290   0.16580   0.16849   0.17052
     Eigenvalues ---    0.17725   0.17982   0.18268   0.18511   0.18685
     Eigenvalues ---    0.19141   0.19279   0.20114   0.20854   0.21678
     Eigenvalues ---    0.21808   0.21962   0.22000   0.22001   0.22012
     Eigenvalues ---    0.22035   0.22308   0.22667   0.23017   0.23412
     Eigenvalues ---    0.23490   0.23549   0.23675   0.24006   0.24267
     Eigenvalues ---    0.24632   0.24740   0.24801   0.24981   0.25059
     Eigenvalues ---    0.25201   0.25487   0.25806   0.26896   0.26953
     Eigenvalues ---    0.28249   0.29372   0.29649   0.29793   0.29867
     Eigenvalues ---    0.30088   0.30136   0.30208   0.30420   0.30582
     Eigenvalues ---    0.30660   0.30837   0.31130   0.31351   0.31425
     Eigenvalues ---    0.31495   0.31506   0.31645   0.31672   0.31750
     Eigenvalues ---    0.31868   0.31961   0.32199   0.32338   0.32460
     Eigenvalues ---    0.32588   0.32608   0.32664   0.32806   0.32848
     Eigenvalues ---    0.32921   0.32992   0.33057   0.33130   0.33155
     Eigenvalues ---    0.33201   0.33275   0.33445   0.33538   0.33657
     Eigenvalues ---    0.33700   0.33734   0.33897   0.33952   0.33993
     Eigenvalues ---    0.34033   0.34164   0.34229   0.34294   0.34360
     Eigenvalues ---    0.34495   0.34505   0.34525   0.34693   0.34815
     Eigenvalues ---    0.35835   0.36012   0.36250   0.36314   0.36377
     Eigenvalues ---    0.36459   0.36639   0.36846   0.36962   0.37242
     Eigenvalues ---    0.38201   0.38388   0.39047   0.39958   0.40595
     Eigenvalues ---    0.41283   0.41633   0.42300   0.42522   0.42993
     Eigenvalues ---    0.43338   0.43720   0.44432   0.45183   0.45346
     Eigenvalues ---    0.45687   0.47452   0.47597   0.48251   0.48381
     Eigenvalues ---    0.48645   0.48697   0.49076   0.49282   0.50210
     Eigenvalues ---    0.50395   0.50899   0.51248   0.51392   0.52871
     Eigenvalues ---    0.56403   0.58479   0.58809   0.59500   0.62750
     Eigenvalues ---    0.64223   0.66987   0.77064   0.78745   0.84708
     Eigenvalues ---    1.09027   1.89984   3.846131000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 RFO step:  Lambda=-4.08231483D-04 EMin=-2.13377339D-05
 Quartic linear search produced a step of -0.40883.
 Maximum step size (   0.313) exceeded in Quadratic search.
    -- Step size scaled by   0.340
 Iteration  1 RMS(Cart)=  0.06812339 RMS(Int)=  0.00047456
 Iteration  2 RMS(Cart)=  0.00108532 RMS(Int)=  0.00000715
 Iteration  3 RMS(Cart)=  0.00000046 RMS(Int)=  0.00000714
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89439   0.00001  -0.00001   0.00013   0.00012   2.89451
    R2        2.07195   0.00002   0.00002   0.00005   0.00008   2.07203
    R3        2.07385   0.00000   0.00000  -0.00018  -0.00018   2.07366
    R4        2.07199  -0.00002  -0.00003   0.00006   0.00003   2.07202
    R5        2.89475  -0.00004   0.00003  -0.00042  -0.00039   2.89436
    R6        2.82762  -0.00001   0.00006  -0.00025  -0.00019   2.82743
    R7        2.13123   0.00003  -0.00002   0.00024   0.00022   2.13145
    R8        2.07213  -0.00002  -0.00002  -0.00005  -0.00007   2.07206
    R9        2.07345   0.00003   0.00001   0.00012   0.00013   2.07357
   R10        2.07188   0.00001  -0.00005   0.00023   0.00018   2.07206
   R11        2.47743   0.00011  -0.00014   0.00054   0.00039   2.47782
   R12        3.37486  -0.00006   0.00054  -0.00175  -0.00121   3.37365
   R13        2.68286   0.00013   0.00024  -0.00022   0.00002   2.68289
   R14        2.84013   0.00013   0.00020  -0.00080  -0.00059   2.83953
   R15        2.58080   0.00005  -0.00008  -0.00002  -0.00010   2.58070
   R16        2.80639   0.00016   0.00065  -0.00180  -0.00115   2.80524
   R17        2.11707  -0.00004  -0.00010   0.00064   0.00053   2.11760
   R18        2.11764  -0.00002  -0.00039   0.00092   0.00053   2.11818
   R19        2.81487  -0.00010   0.00004  -0.00117  -0.00114   2.81373
   R20        2.68037   0.00000   0.00074  -0.00213  -0.00139   2.67898
   R21        2.08308  -0.00001  -0.00004  -0.00009  -0.00013   2.08295
   R22        2.09160  -0.00002  -0.00013   0.00019   0.00006   2.09166
   R23        2.08338   0.00003   0.00008   0.00001   0.00009   2.08347
   R24        2.31829  -0.00028  -0.00018   0.00030   0.00012   2.31841
   R25        2.69869  -0.00016   0.00021  -0.00213  -0.00192   2.69677
   R26        2.79886  -0.00033   0.00032  -0.00044  -0.00012   2.79874
   R27        1.94556   0.00030   0.00025   0.00102   0.00127   1.94683
   R28        2.91677  -0.00011   0.00014  -0.00169  -0.00155   2.91523
   R29        2.94174  -0.00004   0.00022   0.00052   0.00074   2.94248
   R30        2.13726  -0.00012   0.00007  -0.00056  -0.00048   2.13678
   R31        2.31747  -0.00014   0.00050  -0.00203  -0.00152   2.31595
   R32        2.62711  -0.00060  -0.00088   0.00299   0.00211   2.62922
   R33        2.81447  -0.00010   0.00013  -0.00055  -0.00043   2.81405
   R34        1.92420  -0.00001   0.00021  -0.00079  -0.00058   1.92362
   R35        2.91904  -0.00017   0.00029  -0.00041  -0.00012   2.91892
   R36        2.91626   0.00001  -0.00049   0.00199   0.00150   2.91777
   R37        2.13528   0.00004  -0.00037   0.00137   0.00100   2.13627
   R38        2.84140   0.00000  -0.00017   0.00079   0.00062   2.84202
   R39        2.10412  -0.00002  -0.00003  -0.00009  -0.00012   2.10400
   R40        2.09798  -0.00001   0.00004  -0.00019  -0.00015   2.09783
   R41        2.65334   0.00000  -0.00009   0.00033   0.00024   2.65358
   R42        2.65234  -0.00005   0.00007  -0.00017  -0.00010   2.65223
   R43        2.64055  -0.00002   0.00007  -0.00017  -0.00010   2.64045
   R44        2.05987  -0.00002  -0.00004   0.00003  -0.00001   2.05986
   R45        2.64230   0.00006  -0.00004   0.00029   0.00025   2.64254
   R46        2.05908  -0.00001  -0.00002   0.00003   0.00001   2.05909
   R47        2.64283  -0.00002   0.00005  -0.00015  -0.00010   2.64273
   R48        2.05618   0.00001  -0.00002   0.00008   0.00006   2.05624
   R49        2.64065   0.00000  -0.00009   0.00029   0.00021   2.64086
   R50        2.05853  -0.00001   0.00001  -0.00002  -0.00002   2.05851
   R51        2.05568  -0.00001   0.00002  -0.00006  -0.00005   2.05564
   R52        2.89578   0.00056  -0.00028   0.00255   0.00227   2.89805
   R53        2.09869  -0.00006   0.00071  -0.00240  -0.00169   2.09700
   R54        2.09510  -0.00003   0.00005   0.00007   0.00012   2.09522
   R55        2.72834   0.00034   0.00036  -0.00078  -0.00042   2.72792
   R56        2.94368   0.00020   0.00021  -0.00056  -0.00035   2.94332
   R57        2.11853   0.00003  -0.00063   0.00146   0.00083   2.11936
   R58        1.88005   0.00020   0.00006  -0.00099  -0.00093   1.87911
   R59        2.90438  -0.00003  -0.00006   0.00073   0.00067   2.90504
   R60        2.82997   0.00038   0.00005   0.00004   0.00009   2.83007
   R61        2.12629  -0.00001  -0.00005   0.00055   0.00050   2.12679
   R62        2.84189  -0.00006  -0.00024   0.00040   0.00016   2.84205
   R63        2.11318  -0.00001  -0.00015   0.00103   0.00089   2.11407
   R64        2.09968  -0.00006  -0.00010  -0.00021  -0.00031   2.09937
   R65        2.65210   0.00006  -0.00005   0.00026   0.00021   2.65232
   R66        2.65095   0.00005   0.00012  -0.00019  -0.00007   2.65087
   R67        2.63902   0.00002   0.00002   0.00017   0.00019   2.63921
   R68        2.06254  -0.00008  -0.00024   0.00036   0.00012   2.06265
   R69        2.64414  -0.00001  -0.00002  -0.00008  -0.00010   2.64404
   R70        2.05755  -0.00002   0.00001  -0.00010  -0.00009   2.05746
   R71        2.64183   0.00007   0.00003   0.00025   0.00028   2.64211
   R72        2.05504   0.00001  -0.00001   0.00009   0.00008   2.05511
   R73        2.64189  -0.00007  -0.00004  -0.00014  -0.00018   2.64172
   R74        2.05675   0.00001   0.00002   0.00001   0.00003   2.05678
   R75        2.05359   0.00000   0.00005  -0.00015  -0.00010   2.05348
   R76        2.63886   0.00067   0.00063  -0.00078  -0.00015   2.63871
   R77        1.95016  -0.00019  -0.00009   0.00024   0.00015   1.95031
   R78        2.30831  -0.00035  -0.00026  -0.00082  -0.00108   2.30724
   R79        2.62657  -0.00015  -0.00086   0.00292   0.00206   2.62863
   R80        2.76513   0.00084   0.00028  -0.00068  -0.00040   2.76473
   R81        2.78943  -0.00030  -0.00058   0.00050  -0.00009   2.78934
   R82        2.09851  -0.00073   0.00028  -0.00401  -0.00374   2.09477
   R83        2.09615  -0.00002  -0.00027   0.00087   0.00060   2.09675
   R84        2.58389   0.00034   0.00068  -0.00052   0.00017   2.58406
   R85        3.31223  -0.00108  -0.00132  -0.00308  -0.00440   3.30783
   R86        2.66667  -0.00047  -0.00069   0.00073   0.00005   2.66672
   R87        2.05020  -0.00013  -0.00013  -0.00005  -0.00018   2.05002
   R88        2.49553  -0.00001   0.00038  -0.00161  -0.00122   2.49431
   R89        3.32471   0.00012  -0.00017   0.00168   0.00150   3.32622
   R90        2.05356  -0.00005  -0.00034   0.00036   0.00002   2.05358
   R91        2.88814  -0.00037   0.00018  -0.00090  -0.00071   2.88743
   R92        2.89514  -0.00025  -0.00061   0.00141   0.00080   2.89594
   R93        2.12201   0.00015  -0.00031   0.00171   0.00140   2.12341
   R94        2.07615  -0.00008  -0.00029   0.00045   0.00015   2.07630
   R95        2.07886   0.00017   0.00122  -0.00456  -0.00333   2.07552
   R96        2.07145   0.00006   0.00016  -0.00079  -0.00063   2.07082
   R97        2.07583  -0.00002  -0.00014   0.00083   0.00068   2.07651
   R98        2.08377  -0.00020  -0.00086   0.00307   0.00221   2.08598
   R99        2.07006  -0.00001   0.00000  -0.00021  -0.00021   2.06985
   R100       3.28026   0.00004   0.00049  -0.00104  -0.00054   3.27972
   R101       2.03757   0.00003  -0.00006   0.00010   0.00004   2.03762
    A1        1.93478   0.00000  -0.00001  -0.00007  -0.00008   1.93470
    A2        1.94464  -0.00002  -0.00001  -0.00007  -0.00008   1.94456
    A3        1.96191  -0.00004   0.00003  -0.00036  -0.00033   1.96159
    A4        1.87397   0.00001  -0.00009   0.00030   0.00021   1.87419
    A5        1.86938   0.00003  -0.00004   0.00004  -0.00001   1.86937
    A6        1.87492   0.00003   0.00011   0.00021   0.00032   1.87524
    A7        1.95132   0.00004   0.00014  -0.00063  -0.00049   1.95083
    A8        1.92738  -0.00002   0.00014  -0.00038  -0.00025   1.92713
    A9        1.88817   0.00001   0.00006   0.00025   0.00031   1.88848
   A10        1.92626  -0.00004  -0.00041   0.00092   0.00052   1.92678
   A11        1.88938   0.00000   0.00003   0.00005   0.00008   1.88946
   A12        1.87907   0.00001   0.00004  -0.00019  -0.00015   1.87892
   A13        1.96073  -0.00001  -0.00002  -0.00007  -0.00009   1.96064
   A14        1.94538  -0.00001  -0.00006   0.00001  -0.00005   1.94533
   A15        1.93473   0.00001   0.00003   0.00013   0.00016   1.93489
   A16        1.87488   0.00000  -0.00007   0.00004  -0.00003   1.87485
   A17        1.86977   0.00001   0.00018  -0.00033  -0.00015   1.86962
   A18        1.87416   0.00000  -0.00005   0.00020   0.00015   1.87432
   A19        2.21085  -0.00008   0.00018  -0.00116  -0.00099   2.20986
   A20        2.11609   0.00006  -0.00036   0.00160   0.00124   2.11733
   A21        1.95624   0.00002   0.00018  -0.00044  -0.00027   1.95597
   A22        1.96160  -0.00003  -0.00013   0.00042   0.00029   1.96189
   A23        2.05268  -0.00004   0.00040  -0.00136  -0.00096   2.05172
   A24        2.01112  -0.00002   0.00017  -0.00073  -0.00056   2.01056
   A25        2.21938   0.00006  -0.00057   0.00208   0.00151   2.22089
   A26        1.97762   0.00000   0.00060  -0.00246  -0.00187   1.97575
   A27        1.92419  -0.00005  -0.00015   0.00065   0.00050   1.92468
   A28        1.91980   0.00009   0.00009   0.00020   0.00030   1.92009
   A29        1.91973   0.00005  -0.00018   0.00073   0.00055   1.92028
   A30        1.88011  -0.00003  -0.00047   0.00201   0.00154   1.88165
   A31        1.83662  -0.00006   0.00006  -0.00099  -0.00092   1.83570
   A32        1.98891  -0.00008  -0.00039   0.00040   0.00001   1.98893
   A33        2.11521   0.00009  -0.00094   0.00258   0.00163   2.11684
   A34        2.01063  -0.00001  -0.00093   0.00205   0.00112   2.01175
   A35        1.89490   0.00000  -0.00001   0.00034   0.00034   1.89524
   A36        1.92563  -0.00007  -0.00046   0.00038  -0.00009   1.92554
   A37        1.96537   0.00003   0.00051  -0.00148  -0.00098   1.96440
   A38        1.88971   0.00003   0.00027   0.00000   0.00027   1.88998
   A39        1.89784  -0.00001  -0.00040   0.00116   0.00076   1.89860
   A40        1.88885   0.00002   0.00009  -0.00034  -0.00025   1.88859
   A41        2.12943   0.00000   0.00015  -0.00025  -0.00010   2.12933
   A42        2.05158   0.00009  -0.00036   0.00047   0.00011   2.05169
   A43        2.10145  -0.00009   0.00022  -0.00038  -0.00016   2.10129
   A44        2.02247  -0.00004   0.00032   0.00194   0.00226   2.02472
   A45        2.06355   0.00005   0.00003  -0.00072  -0.00069   2.06286
   A46        1.98837   0.00001  -0.00027  -0.00024  -0.00051   1.98786
   A47        1.92637   0.00021  -0.00046  -0.00360  -0.00406   1.92231
   A48        1.90454  -0.00003   0.00023  -0.00043  -0.00021   1.90434
   A49        1.87265  -0.00009   0.00042   0.00223   0.00264   1.87529
   A50        1.94462  -0.00027  -0.00033   0.00266   0.00234   1.94695
   A51        1.91127   0.00002   0.00052  -0.00070  -0.00018   1.91109
   A52        1.90284   0.00017  -0.00035  -0.00013  -0.00049   1.90235
   A53        2.15734   0.00006  -0.00133   0.00072  -0.00062   2.15672
   A54        2.01286   0.00004   0.00135   0.00003   0.00138   2.01423
   A55        2.11266  -0.00010   0.00000  -0.00062  -0.00062   2.11204
   A56        2.12352   0.00064  -0.00026  -0.00060  -0.00083   2.12269
   A57        2.12454  -0.00041   0.00000   0.00032   0.00034   2.12488
   A58        2.03480  -0.00023   0.00039   0.00003   0.00044   2.03524
   A59        1.92008  -0.00024  -0.00079   0.00241   0.00161   1.92169
   A60        1.91951  -0.00011   0.00123  -0.00112   0.00011   1.91961
   A61        1.87828   0.00034  -0.00026   0.00003  -0.00022   1.87806
   A62        1.96304  -0.00013  -0.00066   0.00033  -0.00034   1.96270
   A63        1.88548  -0.00009  -0.00061   0.00191   0.00129   1.88677
   A64        1.89504   0.00025   0.00110  -0.00359  -0.00250   1.89255
   A65        1.99612  -0.00001   0.00035  -0.00082  -0.00046   1.99566
   A66        1.89399   0.00006  -0.00001   0.00118   0.00117   1.89516
   A67        1.90036  -0.00003  -0.00048   0.00055   0.00006   1.90042
   A68        1.91846  -0.00002  -0.00004   0.00000  -0.00004   1.91842
   A69        1.92271   0.00001   0.00007  -0.00061  -0.00054   1.92217
   A70        1.82408   0.00000   0.00007  -0.00022  -0.00015   1.82393
   A71        2.09387   0.00003   0.00009   0.00018   0.00027   2.09414
   A72        2.10386  -0.00004  -0.00010  -0.00012  -0.00022   2.10364
   A73        2.08543   0.00001   0.00002  -0.00007  -0.00005   2.08538
   A74        2.09683   0.00000  -0.00001   0.00005   0.00003   2.09686
   A75        2.09749  -0.00001   0.00006  -0.00023  -0.00017   2.09732
   A76        2.08876   0.00001  -0.00005   0.00018   0.00013   2.08890
   A77        2.09867  -0.00001   0.00000  -0.00001  -0.00001   2.09866
   A78        2.09041   0.00001  -0.00003   0.00016   0.00013   2.09054
   A79        2.09410   0.00000   0.00003  -0.00016  -0.00012   2.09397
   A80        2.08984  -0.00001   0.00000  -0.00002  -0.00002   2.08982
   A81        2.09693  -0.00001   0.00005  -0.00023  -0.00018   2.09675
   A82        2.09640   0.00002  -0.00005   0.00025   0.00020   2.09660
   A83        2.09918   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09286   0.00000  -0.00004   0.00009   0.00005   2.09290
   A85        2.09115   0.00000   0.00004  -0.00008  -0.00004   2.09110
   A86        2.09637   0.00001   0.00000   0.00004   0.00004   2.09642
   A87        2.09737   0.00001  -0.00002   0.00007   0.00005   2.09742
   A88        2.08941  -0.00002   0.00003  -0.00012  -0.00009   2.08932
   A89        1.94103   0.00214   0.00155  -0.00256  -0.00101   1.94002
   A90        1.93560  -0.00112  -0.00045   0.00100   0.00055   1.93615
   A91        1.90822  -0.00021  -0.00004  -0.00175  -0.00179   1.90643
   A92        1.90673  -0.00030  -0.00155   0.00397   0.00242   1.90915
   A93        1.93742  -0.00105  -0.00051   0.00035  -0.00016   1.93726
   A94        1.83210   0.00039   0.00094  -0.00087   0.00007   1.83217
   A95        1.90316   0.00065  -0.00168   0.00463   0.00295   1.90611
   A96        2.01374  -0.00164  -0.00105   0.00157   0.00051   2.01426
   A97        1.93925   0.00032  -0.00015   0.00009  -0.00005   1.93919
   A98        1.77962  -0.00011   0.00013  -0.00056  -0.00043   1.77918
   A99        1.89342  -0.00028   0.00188  -0.00446  -0.00258   1.89084
   A100       1.92503   0.00108   0.00103  -0.00160  -0.00057   1.92446
   A101       1.92579   0.00021   0.00064  -0.00198  -0.00133   1.92446
   A102       1.94858   0.00022   0.00042  -0.00049  -0.00006   1.94851
   A103       1.88665   0.00192   0.00021   0.00516   0.00537   1.89202
   A104       1.90722  -0.00113  -0.00056  -0.00009  -0.00064   1.90658
   A105       1.95726  -0.00131  -0.00064  -0.00206  -0.00271   1.95455
   A106       1.91798   0.00050  -0.00020   0.00035   0.00014   1.91812
   A107       1.84259  -0.00023   0.00078  -0.00291  -0.00213   1.84046
   A108       1.94817   0.00004  -0.00053   0.00124   0.00071   1.94889
   A109       1.92287  -0.00013  -0.00038  -0.00006  -0.00044   1.92243
   A110       1.91096  -0.00001   0.00023   0.00119   0.00142   1.91238
   A111       1.92163   0.00005   0.00038  -0.00117  -0.00079   1.92084
   A112       1.92567  -0.00001   0.00065  -0.00121  -0.00056   1.92511
   A113       1.83107   0.00005  -0.00033  -0.00008  -0.00041   1.83066
   A114       2.09238   0.00000   0.00025  -0.00153  -0.00128   2.09110
   A115       2.10076   0.00002  -0.00015   0.00114   0.00098   2.10175
   A116       2.09004  -0.00002  -0.00009   0.00039   0.00029   2.09033
   A117       2.09459   0.00000   0.00001  -0.00011  -0.00010   2.09448
   A118       2.08796   0.00004   0.00016  -0.00021  -0.00004   2.08792
   A119       2.10062  -0.00004  -0.00017   0.00031   0.00015   2.10076
   A120       2.09818   0.00000   0.00007  -0.00025  -0.00018   2.09800
   A121       2.09155  -0.00001  -0.00005   0.00000  -0.00005   2.09150
   A122       2.09345   0.00001  -0.00002   0.00025   0.00023   2.09369
   A123       2.09129   0.00000  -0.00003   0.00017   0.00014   2.09143
   A124       2.09529   0.00002   0.00005   0.00011   0.00015   2.09545
   A125       2.09660  -0.00003  -0.00002  -0.00027  -0.00029   2.09631
   A126       2.09869   0.00000  -0.00005   0.00016   0.00011   2.09880
   A127       2.09360  -0.00002  -0.00001  -0.00030  -0.00031   2.09329
   A128       2.09090   0.00002   0.00006   0.00014   0.00020   2.09110
   A129       2.09359   0.00002   0.00010  -0.00036  -0.00025   2.09333
   A130       2.09962  -0.00006  -0.00008  -0.00032  -0.00040   2.09922
   A131       2.08998   0.00004  -0.00002   0.00068   0.00066   2.09063
   A132       2.06958   0.00297   0.00031   0.00541   0.00566   2.07524
   A133       1.96857  -0.00117  -0.00012   0.00251   0.00233   1.97090
   A134       2.01726  -0.00054  -0.00041   0.00455   0.00407   2.02134
   A135       2.25140   0.00018   0.00016   0.00175   0.00191   2.25331
   A136       1.90704  -0.00071  -0.00075  -0.00018  -0.00093   1.90611
   A137       2.12349   0.00045   0.00065  -0.00169  -0.00105   2.12244
   A138       2.01745   0.00287   0.00228  -0.00700  -0.00472   2.01273
   A139       1.92431   0.00369   0.00019  -0.00581  -0.00562   1.91869
   A140       1.75909  -0.00150  -0.00105   0.00392   0.00287   1.76196
   A141       1.88978  -0.00092  -0.00051   0.00303   0.00251   1.89229
   A142       1.98168  -0.00023   0.00016   0.00337   0.00353   1.98521
   A143       1.96726  -0.00124   0.00052  -0.00288  -0.00236   1.96490
   A144       1.92887   0.00025   0.00049  -0.00097  -0.00048   1.92839
   A145       2.27944  -0.00071  -0.00160   0.00181   0.00021   2.27965
   A146       2.09013   0.00052   0.00156  -0.00371  -0.00215   2.08798
   A147       1.91351   0.00020   0.00002   0.00181   0.00181   1.91532
   A148       2.01347  -0.00011   0.00006  -0.00154  -0.00153   2.01194
   A149       2.22040  -0.00004  -0.00059   0.00082   0.00019   2.22058
   A150       2.04929   0.00016   0.00051   0.00088   0.00135   2.05063
   A151       1.94606  -0.00002  -0.00018   0.00093   0.00075   1.94681
   A152       1.98269  -0.00008  -0.00009  -0.00055  -0.00069   1.98200
   A153       2.18265  -0.00002  -0.00043   0.00015  -0.00030   2.18236
   A154       2.11707   0.00011   0.00054   0.00089   0.00141   2.11847
   A155       1.56872   0.00002   0.00022  -0.00022  -0.00004   1.56868
   A156       1.96724  -0.00007  -0.00037   0.00200   0.00163   1.96887
   A157       1.92545   0.00017   0.00003  -0.00017  -0.00013   1.92532
   A158       1.85685  -0.00003   0.00002  -0.00045  -0.00043   1.85642
   A159       1.93298  -0.00023  -0.00075   0.00023  -0.00052   1.93246
   A160       1.89052   0.00007   0.00069  -0.00189  -0.00120   1.88932
   A161       1.88721   0.00010   0.00046   0.00015   0.00061   1.88782
   A162       1.95713  -0.00007   0.00029  -0.00139  -0.00111   1.95602
   A163       1.96882  -0.00013  -0.00100   0.00167   0.00066   1.96948
   A164       1.94219  -0.00001   0.00087  -0.00291  -0.00204   1.94014
   A165       1.85530   0.00009   0.00015   0.00058   0.00073   1.85602
   A166       1.86487   0.00012   0.00019   0.00007   0.00027   1.86514
   A167       1.86919   0.00001  -0.00050   0.00220   0.00170   1.87089
   A168       1.93017   0.00007   0.00018   0.00008   0.00025   1.93043
   A169       1.96275  -0.00024  -0.00020  -0.00074  -0.00094   1.96181
   A170       1.96152   0.00007   0.00000  -0.00003  -0.00003   1.96149
   A171       1.85780   0.00002  -0.00016  -0.00049  -0.00066   1.85714
   A172       1.86364  -0.00005  -0.00070   0.00167   0.00096   1.86460
   A173       1.88220   0.00014   0.00087  -0.00039   0.00048   1.88268
   A174       1.91629   0.00000   0.00000   0.00020   0.00020   1.91649
   A175       2.23674   0.00005   0.00032   0.00028   0.00059   2.23733
   A176       2.13010  -0.00005  -0.00031  -0.00054  -0.00086   2.12924
   A177       1.57952   0.00003  -0.00021   0.00053   0.00032   1.57984
    D1        1.07899   0.00004   0.00061  -0.00568  -0.00507   1.07392
    D2       -3.05222   0.00000   0.00028  -0.00521  -0.00493  -3.05715
    D3       -0.99987   0.00001   0.00045  -0.00552  -0.00507  -1.00494
    D4       -3.11829   0.00003   0.00049  -0.00540  -0.00491  -3.12319
    D5       -0.96631   0.00000   0.00016  -0.00493  -0.00477  -0.97108
    D6        1.08604   0.00001   0.00033  -0.00524  -0.00490   1.08114
    D7       -1.01263   0.00003   0.00065  -0.00543  -0.00479  -1.01742
    D8        1.13934  -0.00001   0.00032  -0.00496  -0.00465   1.13470
    D9       -3.09149   0.00001   0.00049  -0.00527  -0.00478  -3.09627
   D10        0.99581   0.00000   0.00280  -0.00450  -0.00169   0.99412
   D11        3.10111  -0.00002   0.00265  -0.00448  -0.00183   3.09928
   D12       -1.09547  -0.00002   0.00257  -0.00413  -0.00155  -1.09703
   D13       -1.15679   0.00002   0.00282  -0.00422  -0.00140  -1.15820
   D14        0.94850   0.00001   0.00267  -0.00421  -0.00153   0.94697
   D15        3.03511   0.00001   0.00259  -0.00385  -0.00126   3.03385
   D16        3.07395   0.00003   0.00298  -0.00454  -0.00156   3.07240
   D17       -1.10394   0.00002   0.00283  -0.00452  -0.00169  -1.10563
   D18        0.98267   0.00002   0.00275  -0.00417  -0.00142   0.98125
   D19        2.07477  -0.00001   0.00258  -0.00467  -0.00209   2.07268
   D20       -1.06914  -0.00002   0.00250  -0.00962  -0.00712  -1.07625
   D21       -2.04196   0.00000   0.00257  -0.00510  -0.00253  -2.04449
   D22        1.09732  -0.00001   0.00249  -0.01004  -0.00756   1.08976
   D23        0.01682  -0.00002   0.00240  -0.00464  -0.00224   0.01458
   D24       -3.12708  -0.00003   0.00232  -0.00959  -0.00726  -3.13435
   D25       -3.14010   0.00000  -0.00045  -0.00043  -0.00088  -3.14098
   D26        0.00363   0.00001  -0.00038   0.00413   0.00375   0.00738
   D27        3.14127   0.00000   0.00041  -0.00041   0.00000   3.14127
   D28       -0.00232  -0.00001   0.00034  -0.00469  -0.00435  -0.00668
   D29        3.13402  -0.00002   0.00003  -0.00156  -0.00153   3.13249
   D30       -0.00355  -0.00001   0.00024  -0.00116  -0.00092  -0.00448
   D31        1.84165   0.00004  -0.00819   0.02696   0.01878   1.86043
   D32       -2.28149   0.00007  -0.00811   0.02661   0.01851  -2.26298
   D33       -0.26376   0.00001  -0.00806   0.02591   0.01785  -0.24591
   D34       -1.30451   0.00002  -0.00842   0.02650   0.01808  -1.28643
   D35        0.85554   0.00005  -0.00834   0.02615   0.01781   0.87335
   D36        2.87327   0.00000  -0.00830   0.02545   0.01715   2.89042
   D37        0.00168   0.00000   0.00003  -0.00243  -0.00240  -0.00072
   D38       -3.12843   0.00000  -0.00017   0.00309   0.00292  -3.12551
   D39       -3.13544   0.00002   0.00026  -0.00198  -0.00172  -3.13716
   D40        0.01763   0.00002   0.00006   0.00355   0.00360   0.02124
   D41       -1.25236  -0.00001   0.00114  -0.00528  -0.00414  -1.25650
   D42        1.26889  -0.00001  -0.00284   0.00361   0.00077   1.26966
   D43        2.86835   0.00002   0.00105  -0.00490  -0.00385   2.86450
   D44       -0.89359   0.00001  -0.00294   0.00399   0.00106  -0.89253
   D45        0.87537   0.00008   0.00132  -0.00519  -0.00388   0.87150
   D46       -2.88656   0.00008  -0.00267   0.00369   0.00103  -2.88553
   D47       -1.20393   0.00001   0.00251  -0.00553  -0.00302  -1.20695
   D48        3.01099   0.00002   0.00245  -0.00596  -0.00351   3.00748
   D49        0.89856   0.00002   0.00233  -0.00478  -0.00245   0.89611
   D50        2.51953  -0.00002   0.00627  -0.01411  -0.00784   2.51169
   D51        0.45126  -0.00002   0.00621  -0.01454  -0.00833   0.44294
   D52       -1.66117  -0.00002   0.00608  -0.01336  -0.00727  -1.66844
   D53       -2.77770  -0.00001   0.00303  -0.00893  -0.00590  -2.78360
   D54        0.40473   0.00007   0.00276  -0.00454  -0.00179   0.40295
   D55       -0.26360  -0.00004  -0.00082  -0.00048  -0.00130  -0.26490
   D56        2.91883   0.00004  -0.00109   0.00391   0.00282   2.92165
   D57        2.84957  -0.00008  -0.00172  -0.00269  -0.00441   2.84516
   D58        0.39666  -0.00012  -0.00173  -0.00402  -0.00575   0.39092
   D59       -0.25187  -0.00001  -0.00198   0.00161  -0.00036  -0.25223
   D60       -2.70477  -0.00005  -0.00199   0.00029  -0.00170  -2.70648
   D61       -1.43972  -0.00009  -0.00237  -0.02200  -0.02437  -1.46409
   D62        2.70099   0.00013  -0.00181  -0.02270  -0.02451   2.67647
   D63        0.64169   0.00000  -0.00175  -0.02355  -0.02530   0.61639
   D64        1.04259  -0.00004  -0.00225  -0.02097  -0.02322   1.01937
   D65       -1.09989   0.00018  -0.00169  -0.02167  -0.02336  -1.12325
   D66        3.12400   0.00005  -0.00163  -0.02252  -0.02415   3.09985
   D67       -0.54132  -0.00007  -0.00622   0.03986   0.03365  -0.50768
   D68        2.62750  -0.00006  -0.00721   0.03437   0.02716   2.65466
   D69        1.57754  -0.00015  -0.00646   0.03864   0.03217   1.60971
   D70       -1.53682  -0.00014  -0.00745   0.03314   0.02569  -1.51113
   D71       -2.59915  -0.00009  -0.00677   0.03972   0.03295  -2.56620
   D72        0.56968  -0.00009  -0.00776   0.03422   0.02646   0.59614
   D73        1.24322   0.00004  -0.00675  -0.00057  -0.00733   1.23589
   D74       -2.86920  -0.00018  -0.00798   0.00107  -0.00691  -2.87611
   D75       -0.82628   0.00001  -0.00740   0.00090  -0.00650  -0.83278
   D76       -0.88830  -0.00002  -0.00612   0.00251  -0.00361  -0.89191
   D77        1.28247  -0.00024  -0.00735   0.00415  -0.00319   1.27928
   D78       -2.95779  -0.00005  -0.00677   0.00398  -0.00278  -2.96058
   D79       -2.99974   0.00001  -0.00632   0.00178  -0.00455  -3.00428
   D80       -0.82897  -0.00021  -0.00755   0.00342  -0.00413  -0.83310
   D81        1.21395  -0.00002  -0.00698   0.00325  -0.00372   1.21023
   D82        3.13354  -0.00017  -0.00127   0.00908   0.00782   3.14135
   D83       -0.03640  -0.00010   0.00746  -0.00177   0.00569  -0.03071
   D84        0.01842  -0.00017  -0.00221   0.00372   0.00151   0.01993
   D85        3.13167  -0.00010   0.00652  -0.00714  -0.00062   3.13105
   D86        2.39784   0.00008   0.00773  -0.01491  -0.00718   2.39066
   D87       -1.71375  -0.00032   0.00719  -0.01361  -0.00642  -1.72017
   D88        0.34762   0.00012   0.00905  -0.01853  -0.00948   0.33814
   D89       -0.71679   0.00002  -0.00057  -0.00459  -0.00515  -0.72194
   D90        1.45480  -0.00038  -0.00110  -0.00329  -0.00439   1.45041
   D91       -2.76702   0.00006   0.00075  -0.00820  -0.00745  -2.77447
   D92        1.03164  -0.00020   0.00255  -0.00023   0.00233   1.03397
   D93       -1.11692  -0.00021   0.00236  -0.00055   0.00181  -1.11512
   D94       -3.09255  -0.00022   0.00253  -0.00119   0.00134  -3.09120
   D95       -1.11458   0.00021   0.00201  -0.00076   0.00125  -1.11334
   D96        3.02003   0.00020   0.00182  -0.00109   0.00072   3.02076
   D97        1.04441   0.00019   0.00199  -0.00172   0.00026   1.04467
   D98        3.07740   0.00003   0.00146   0.00224   0.00370   3.08110
   D99        0.92883   0.00002   0.00126   0.00191   0.00318   0.93201
   D100      -1.04679   0.00001   0.00143   0.00128   0.00272  -1.04408
   D101       1.13818   0.00072   0.00141  -0.01200  -0.01059   1.12759
   D102      -0.98738   0.00040   0.00263  -0.01599  -0.01336  -1.00074
   D103      -2.99940   0.00068   0.00177  -0.01447  -0.01270  -3.01210
   D104      -2.99845   0.00024   0.00081  -0.00948  -0.00867  -3.00712
   D105       1.15917  -0.00008   0.00204  -0.01347  -0.01144   1.14774
   D106      -0.85285   0.00020   0.00118  -0.01196  -0.01078  -0.86363
   D107      -0.91280   0.00022   0.00037  -0.00930  -0.00893  -0.92173
   D108      -3.03836  -0.00010   0.00159  -0.01329  -0.01170  -3.05006
   D109       1.23280   0.00018   0.00073  -0.01177  -0.01104   1.22176
   D110      -1.64661  -0.00001   0.00141   0.00250   0.00391  -1.64270
   D111       1.50254   0.00000   0.00156   0.00281   0.00437   1.50691
   D112       0.48868   0.00005   0.00163   0.00346   0.00509   0.49377
   D113      -2.64535   0.00005   0.00178   0.00377   0.00555  -2.63981
   D114       2.48962   0.00004   0.00173   0.00285   0.00459   2.49420
   D115      -0.64442   0.00004   0.00188   0.00316   0.00504  -0.63938
   D116       3.13960   0.00000   0.00006   0.00021   0.00027   3.13987
   D117      -0.01751  -0.00001  -0.00007  -0.00011  -0.00017  -0.01768
   D118      -0.00947   0.00000  -0.00009  -0.00009  -0.00018  -0.00965
   D119       3.11661  -0.00001  -0.00021  -0.00041  -0.00062   3.11599
   D120      -3.13871   0.00000  -0.00023   0.00012  -0.00011  -3.13882
   D121       0.01099  -0.00001  -0.00058   0.00047  -0.00011   0.01088
   D122       0.01040   0.00000  -0.00009   0.00043   0.00034   0.01075
   D123      -3.12308  -0.00001  -0.00044   0.00078   0.00034  -3.12274
   D124       0.00123   0.00000   0.00022  -0.00034  -0.00012   0.00111
   D125       3.13773   0.00000   0.00038  -0.00095  -0.00057   3.13716
   D126      -3.12492   0.00001   0.00034  -0.00002   0.00032  -3.12460
   D127       0.01158   0.00001   0.00050  -0.00062  -0.00012   0.01145
   D128       0.00612   0.00000  -0.00017   0.00043   0.00026   0.00638
   D129       3.14129   0.00000   0.00005  -0.00016  -0.00011   3.14118
   D130      -3.13038   0.00000  -0.00033   0.00104   0.00071  -3.12967
   D131       0.00480   0.00000  -0.00011   0.00044   0.00033   0.00513
   D132      -0.00517   0.00000  -0.00001  -0.00009  -0.00010  -0.00527
   D133       3.13332   0.00000   0.00011  -0.00032  -0.00021   3.13311
   D134      -3.14035  -0.00001  -0.00023   0.00051   0.00028  -3.14007
   D135      -0.00186   0.00000  -0.00011   0.00028   0.00017  -0.00169
   D136      -0.00312   0.00000   0.00014  -0.00034  -0.00020  -0.00332
   D137       3.13040   0.00001   0.00048  -0.00069  -0.00020   3.13020
   D138       3.14157   0.00000   0.00002  -0.00012  -0.00009   3.14147
   D139      -0.00810   0.00001   0.00037  -0.00046  -0.00009  -0.00819
   D140      -1.84699   0.00028   0.00296  -0.00071   0.00224  -1.84474
   D141       2.44681   0.00095   0.00454  -0.00404   0.00050   2.44730
   D142       0.23912   0.00055   0.00411  -0.00320   0.00091   0.24003
   D143       0.29528   0.00009   0.00235   0.00157   0.00393   0.29921
   D144      -1.69411   0.00076   0.00394  -0.00175   0.00218  -1.69193
   D145       2.38139   0.00035   0.00351  -0.00092   0.00259   2.38399
   D146       2.30747  -0.00021   0.00229   0.00306   0.00534   2.31281
   D147       0.31808   0.00046   0.00387  -0.00027   0.00360   0.32167
   D148      -1.88960   0.00006   0.00344   0.00057   0.00401  -1.88560
   D149       1.23513   0.00074   0.04535  -0.11241  -0.06706   1.16808
   D150      -2.91081  -0.00092   0.04341  -0.10872  -0.06531  -2.97612
   D151      -0.87917   0.00013   0.04540  -0.11259  -0.06719  -0.94637
   D152      -0.97683  -0.00004  -0.00376   0.00304  -0.00071  -0.97755
   D153      -3.13756   0.00012  -0.00338   0.00237  -0.00100  -3.13856
   D154       1.14855  -0.00005  -0.00412   0.00310  -0.00102   1.14753
   D155      -3.03656   0.00005  -0.00129  -0.00297  -0.00426  -3.04081
   D156       1.08591   0.00021  -0.00091  -0.00364  -0.00455   1.08136
   D157      -0.91117   0.00004  -0.00165  -0.00291  -0.00456  -0.91574
   D158       1.23806  -0.00001  -0.00392   0.00306  -0.00086   1.23720
   D159      -0.92266   0.00016  -0.00354   0.00239  -0.00115  -0.92381
   D160      -2.91974  -0.00001  -0.00428   0.00311  -0.00117  -2.92091
   D161       2.97241  -0.00083  -0.00722   0.01359   0.00636   2.97878
   D162      -1.17017  -0.00082  -0.00737   0.01291   0.00554  -1.16463
   D163       0.83501  -0.00084  -0.00785   0.01346   0.00560   0.84061
   D164      -1.19044   0.00088  -0.00710   0.01844   0.01134  -1.17910
   D165       0.95016   0.00089  -0.00725   0.01776   0.01051   0.96067
   D166       2.95534   0.00087  -0.00773   0.01831   0.01058   2.96592
   D167       0.85325   0.00011  -0.00666   0.01378   0.00713   0.86038
   D168       2.99386   0.00012  -0.00681   0.01310   0.00630   3.00016
   D169      -1.28415   0.00010  -0.00729   0.01365   0.00637  -1.27779
   D170       1.14492   0.00179  -0.00583   0.02653   0.02070   1.16562
   D171      -1.29259   0.00046  -0.00537   0.00837   0.00299  -1.28960
   D172      -1.01056   0.00102  -0.00609   0.02488   0.01880  -0.99177
   D173       2.83511  -0.00031  -0.00563   0.00672   0.00108   2.83620
   D174      -3.09891   0.00129  -0.00598   0.02742   0.02144  -3.07746
   D175       0.74677  -0.00004  -0.00552   0.00926   0.00373   0.75050
   D176       1.66068  -0.00002  -0.00160   0.00640   0.00480   1.66548
   D177      -1.48365  -0.00002  -0.00128   0.00589   0.00461  -1.47904
   D178      -0.48063   0.00008  -0.00102   0.00645   0.00543  -0.47520
   D179       2.65822   0.00008  -0.00070   0.00594   0.00524   2.66346
   D180      -2.49355  -0.00001  -0.00122   0.00793   0.00671  -2.48684
   D181       0.64530  -0.00001  -0.00090   0.00742   0.00652   0.65182
   D182       3.13709  -0.00001   0.00004  -0.00050  -0.00046   3.13663
   D183      -0.01104  -0.00002  -0.00003  -0.00091  -0.00094  -0.01197
   D184      -0.00178  -0.00001  -0.00028   0.00001  -0.00027  -0.00205
   D185       3.13328  -0.00002  -0.00035  -0.00040  -0.00075   3.13253
   D186      -3.13658   0.00001  -0.00008   0.00047   0.00039  -3.13618
   D187       0.00557   0.00001  -0.00014   0.00053   0.00038   0.00595
   D188       0.00228   0.00001   0.00025  -0.00005   0.00020   0.00248
   D189      -3.13876   0.00001   0.00018   0.00001   0.00019  -3.13857
   D190      -0.00016   0.00001   0.00011   0.00004   0.00015  -0.00001
   D191       3.14044   0.00000   0.00012  -0.00010   0.00002   3.14046
   D192      -3.13517   0.00001   0.00018   0.00046   0.00063  -3.13454
   D193       0.00543   0.00001   0.00018   0.00032   0.00050   0.00593
   D194       0.00161   0.00000   0.00009  -0.00005   0.00004   0.00165
   D195      -3.14089   0.00000   0.00013  -0.00029  -0.00016  -3.14105
   D196      -3.13899   0.00001   0.00009   0.00008   0.00017  -3.13882
   D197       0.00170   0.00000   0.00012  -0.00015  -0.00003   0.00167
   D198      -0.00110  -0.00001  -0.00013   0.00002  -0.00011  -0.00122
   D199       3.14040  -0.00001  -0.00014  -0.00006  -0.00020   3.14020
   D200       3.14139   0.00000  -0.00017   0.00025   0.00008   3.14148
   D201      -0.00029   0.00000  -0.00018   0.00017   0.00000  -0.00029
   D202      -0.00084   0.00000  -0.00004   0.00003  -0.00001  -0.00085
   D203       3.14020   0.00000   0.00002  -0.00002   0.00000   3.14020
   D204       3.14084   0.00000  -0.00004   0.00011   0.00008   3.14092
   D205      -0.00130   0.00000   0.00003   0.00006   0.00009  -0.00121
   D206       0.56961   0.00023   0.00597  -0.02632  -0.02036   0.54924
   D207      -2.62584  -0.00131   0.00731  -0.02920  -0.02190  -2.64774
   D208       2.98818   0.00141   0.00562  -0.00844  -0.00280   2.98538
   D209      -0.20727  -0.00013   0.00696  -0.01132  -0.00434  -0.21161
   D210       3.09143   0.00350   0.00426   0.00268   0.00694   3.09836
   D211      -0.09934   0.00209   0.00547   0.00017   0.00564  -0.09370
   D212      -1.15404   0.00068  -0.00003   0.01293   0.01289  -1.14115
   D213       3.03044   0.00014   0.00027   0.00947   0.00975   3.04019
   D214       1.00554   0.00090   0.00039   0.00762   0.00801   1.01355
   D215      -2.06089   0.00007   0.00083   0.06135   0.06219  -1.99871
   D216       1.06320   0.00057  -0.00062   0.05448   0.05387   1.11708
   D217      -0.10202   0.00038  -0.00026   0.06452   0.06425  -0.03776
   D218       3.02208   0.00088  -0.00171   0.05765   0.05594   3.07802
   D219       2.10832  -0.00054   0.00100   0.06357   0.06456   2.17288
   D220      -1.05077  -0.00003  -0.00045   0.05670   0.05625  -0.99453
   D221      -3.13985   0.00048  -0.00374  -0.01527  -0.01903   3.12430
   D222      -0.00772   0.00029  -0.00542   0.00391  -0.00152  -0.00924
   D223       0.01787   0.00001  -0.00242  -0.00889  -0.01132   0.00655
   D224      -3.13319  -0.00017  -0.00410   0.01029   0.00619  -3.12700
   D225       3.13444  -0.00044   0.00278   0.01868   0.02146  -3.12729
   D226      -0.02126  -0.00004   0.00159   0.01316   0.01475  -0.00651
   D227      -0.00211   0.00005   0.00214  -0.00262  -0.00049  -0.00260
   D228      -3.13522   0.00021   0.00365  -0.01983  -0.01619   3.13177
   D229      -0.01505  -0.00007  -0.00080   0.01317   0.01235  -0.00270
   D230      -3.11468  -0.00021  -0.00102  -0.00024  -0.00126  -3.11594
   D231       0.02133   0.00007  -0.00044  -0.01550  -0.01593   0.00540
   D232       3.12273   0.00020  -0.00026  -0.00267  -0.00292   3.11980
   D233      -0.91949   0.00001   0.00652  -0.03323  -0.02671  -0.94620
   D234       1.17460  -0.00001   0.00620  -0.03229  -0.02609   1.14851
   D235      -3.00725  -0.00009   0.00548  -0.03037  -0.02490  -3.03214
   D236      -3.08612   0.00001   0.00732  -0.03467  -0.02735  -3.11346
   D237      -0.99202   0.00000   0.00701  -0.03373  -0.02673  -1.01875
   D238       1.10931  -0.00008   0.00628  -0.03181  -0.02553   1.08378
   D239       1.13022  -0.00002   0.00677  -0.03383  -0.02706   1.10316
   D240      -3.05888  -0.00004   0.00645  -0.03289  -0.02644  -3.08531
   D241      -0.95754  -0.00012   0.00573  -0.03097  -0.02524  -0.98278
   D242       2.94504   0.00014   0.00757  -0.01016  -0.00259   2.94244
   D243      -1.26385   0.00005   0.00735  -0.01122  -0.00387  -1.26772
   D244       0.86415   0.00010   0.00834  -0.01231  -0.00397   0.86018
   D245      -1.14784   0.00000   0.00657  -0.00753  -0.00096  -1.14880
   D246       0.92646  -0.00009   0.00635  -0.00859  -0.00224   0.92422
   D247       3.05447  -0.00003   0.00734  -0.00968  -0.00234   3.05213
   D248       0.92103   0.00002   0.00726  -0.00961  -0.00235   0.91868
   D249       2.99533  -0.00007   0.00704  -0.01067  -0.00363   2.99169
   D250      -1.15986  -0.00001   0.00803  -0.01176  -0.00373  -1.16358
   D251       0.00029   0.00000  -0.00020   0.00386   0.00366   0.00395
   D252       3.13123   0.00001   0.00000  -0.00126  -0.00126   3.12997
         Item               Value     Threshold  Converged?
 Maximum Force            0.003693     0.000450     NO 
 RMS     Force            0.000445     0.000300     NO 
 Maximum Displacement     0.262446     0.001800     NO 
 RMS     Displacement     0.068158     0.001200     NO 
 Predicted change in Energy=-1.503190D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.762996   -2.015225    0.967370
      2          6           0       -9.284470   -0.960331   -0.034797
      3          6           0      -10.015231    0.372818    0.151193
      4          6           0       -7.805522   -0.764694    0.079591
      5          7           0       -6.913922   -0.975231   -0.858486
      6          6           0       -5.592680   -0.692464   -0.422627
      7          6           0       -4.475936   -0.906257   -1.404988
      8          7           0       -3.910969    0.360853   -1.933088
      9          6           0       -4.809320    1.074022   -2.882493
     10          6           0       -3.096541    1.195982   -1.127472
     11          8           0       -2.925566    2.382901   -1.386614
     12          7           0       -2.426050    0.594772   -0.020442
     13          6           0       -1.302700    1.368476    0.556548
     14          6           0       -0.011006    1.108074   -0.245668
     15          8           0        0.218407    0.060877   -0.839563
     16          7           0        0.916105    2.145467   -0.237546
     17          6           0        2.210576    2.041443   -0.966266
     18          6           0        2.510751    3.363360   -1.706736
     19          6           0        2.599520    4.568818   -0.811861
     20          6           0        1.467584    5.373364   -0.603916
     21          6           0        1.545856    6.492905    0.228462
     22          6           0        2.750997    6.819661    0.857998
     23          6           0        3.882228    6.025345    0.645604
     24          6           0        3.810333    4.905176   -0.186869
     25          6           0        3.336862    1.644928    0.012630
     26          6           0        3.102296    0.242631    0.587454
     27          8           0        2.659608    0.358408    1.956569
     28          6           0        4.376396   -0.641115    0.734408
     29          6           0        5.120063   -0.790519   -0.602708
     30          6           0        6.460240   -1.448664   -0.422088
     31          6           0        6.589447   -2.832910   -0.614718
     32          6           0        7.833282   -3.447342   -0.453870
     33          6           0        8.953562   -2.687116   -0.100749
     34          6           0        8.825436   -1.308441    0.093276
     35          6           0        7.583202   -0.687289   -0.065630
     36          7           0        3.969805   -1.966434    1.301009
     37          6           0        3.172324   -2.814196    0.529581
     38          8           0        3.134303   -2.942558   -0.683994
     39          8           0        2.405809   -3.613227    1.371550
     40          6           0        1.474179   -4.518309    0.698231
     41          6           0        0.440437   -3.739640   -0.011552
     42          6           0       -0.908092   -3.652102    0.197380
     43          7           0       -1.597174   -2.780027   -0.672126
     44          6           0       -0.777522   -2.206758   -1.533374
     45         16           0        0.902581   -2.693213   -1.336472
     46          6           0       -1.133314    0.980837    2.055075
     47          6           0       -0.578707   -0.430495    2.242748
     48          6           0       -0.253815    2.009159    2.774440
     49          6           0       -5.486878   -0.255335    0.866834
     50         16           0       -7.061316   -0.179491    1.593146
     51          1           0      -10.830325   -2.226556    0.831759
     52          1           0       -9.222721   -2.961966    0.841166
     53          1           0       -9.627120   -1.695357    2.007300
     54          1           0       -9.499937   -1.339287   -1.075065
     55          1           0       -9.907531    0.768749    1.168013
     56          1           0       -9.638680    1.136916   -0.540474
     57          1           0      -11.089120    0.259291   -0.038950
     58          1           0       -3.664289   -1.524596   -0.941739
     59          1           0       -4.841971   -1.508098   -2.276886
     60          1           0       -4.876390    0.485586   -3.812117
     61          1           0       -4.393923    2.069486   -3.130751
     62          1           0       -5.825128    1.215722   -2.478003
     63          1           0       -2.263803   -0.422324   -0.043649
     64          1           0       -1.575048    2.463791    0.488219
     65          1           0        0.733440    3.023275    0.244405
     66          1           0        2.103415    1.222778   -1.738445
     67          1           0        1.726415    3.522517   -2.480765
     68          1           0        3.451548    3.246102   -2.284257
     69          1           0        0.527822    5.136154   -1.102663
     70          1           0        0.664947    7.115471    0.382385
     71          1           0        2.810042    7.692127    1.505540
     72          1           0        4.824503    6.281782    1.128277
     73          1           0        4.698554    4.299862   -0.354081
     74          1           0        3.414872    2.375571    0.844181
     75          1           0        4.312523    1.701560   -0.510997
     76          1           0        2.314421   -0.305211    0.007004
     77          1           0        1.758651    0.777640    1.992916
     78          1           0        5.058833   -0.182998    1.503204
     79          1           0        4.499146   -1.376580   -1.325562
     80          1           0        5.241419    0.207860   -1.074620
     81          1           0        5.712477   -3.424478   -0.883721
     82          1           0        7.930131   -4.521492   -0.602952
     83          1           0        9.921086   -3.167936    0.023381
     84          1           0        9.695482   -0.715596    0.369265
     85          1           0        7.492011    0.384535    0.088314
     86          1           0        3.735668   -1.919610    2.305067
     87          1           0        1.084084   -5.097621    1.559048
     88          1           0        2.053988   -5.175999    0.018255
     89          1           0       -1.490114   -4.169009    0.952959
     90          1           0       -1.071752   -1.480130   -2.285952
     91          1           0       -2.160095    1.018802    2.509926
     92          1           0       -1.177341   -1.183348    1.711655
     93          1           0        0.450123   -0.536934    1.873309
     94          1           0       -0.574230   -0.716357    3.300627
     95          1           0       -0.294587    1.859345    3.862259
     96          1           0        0.809102    1.927353    2.488076
     97          1           0       -0.574972    3.038833    2.583797
     98          1           0       -4.595955    0.029831    1.403099
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0802923      0.0291562      0.0234140
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3657.6634172265 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258267169729     A.U. after   18 cycles
             Convg  =    0.6116D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000039642   -0.000003297    0.000057266
      2        6           0.000028214    0.000220115    0.000102300
      3        6           0.000055219   -0.000103619   -0.000024065
      4        6           0.000039777   -0.000222053   -0.000340285
      5        7           0.000049506    0.000362281    0.000138968
      6        6           0.000186714    0.000079309    0.000355650
      7        6           0.000006530    0.000276045    0.000148717
      8        7          -0.000218363    0.000206100   -0.000372683
      9        6           0.000258871   -0.000060036   -0.000093632
     10        6          -0.000470774   -0.000314859   -0.000662557
     11        8           0.000252682   -0.000021387    0.000073541
     12        7          -0.000183347   -0.000325425    0.000684954
     13        6           0.000031564    0.000232968    0.000279547
     14        6          -0.000257765    0.000061799   -0.000284263
     15        8           0.000105960   -0.000070063    0.000084549
     16        7          -0.000226098   -0.000021787   -0.000401875
     17        6          -0.000173562    0.000283760    0.000427646
     18        6           0.000127548   -0.000169643    0.000296362
     19        6           0.000049838    0.000120325   -0.000019803
     20        6          -0.000051703    0.000036914    0.000067710
     21        6          -0.000006763    0.000027740   -0.000015849
     22        6          -0.000031680    0.000009484   -0.000024606
     23        6           0.000016978    0.000042275   -0.000009515
     24        6           0.000050770    0.000005029   -0.000046164
     25        6          -0.000152656    0.000838134   -0.000142692
     26        6          -0.000441462    0.000206781   -0.000163032
     27        8           0.000197812   -0.000197680    0.000058955
     28        6          -0.000096452    0.000126393    0.000201721
     29        6          -0.000270683    0.000034180   -0.000122844
     30        6           0.000202061    0.000214763    0.000070442
     31        6          -0.000111999   -0.000051868   -0.000000792
     32        6           0.000074310   -0.000010003   -0.000029926
     33        6          -0.000002280   -0.000008456    0.000008159
     34        6           0.000007881    0.000006623   -0.000006416
     35        6          -0.000068829    0.000001899    0.000041788
     36        7           0.000532405    0.000372387   -0.000379852
     37        6           0.000321920   -0.001930518    0.002335807
     38        8          -0.001334876    0.000556458   -0.001152711
     39        8          -0.000856350   -0.000638092   -0.000877587
     40        6           0.000568943    0.000804376   -0.000332763
     41        6          -0.000480361    0.000817957   -0.000103292
     42        6           0.001073579   -0.000765439   -0.000125000
     43        7           0.000441512   -0.000821989    0.001029278
     44        6          -0.001199659    0.001188719   -0.001023970
     45       16           0.001834993   -0.000985412   -0.000144565
     46        6           0.000186529   -0.000291016   -0.000049758
     47        6           0.001007946    0.000515896   -0.000182843
     48        6          -0.000993520    0.000178470   -0.000077162
     49        6           0.000019056   -0.000317126   -0.000327854
     50       16           0.000106539    0.000052424    0.000342939
     51        1          -0.000032296    0.000034913   -0.000008715
     52        1          -0.000042989   -0.000013012    0.000007710
     53        1          -0.000005541    0.000013300   -0.000027805
     54        1           0.000019894   -0.000033757   -0.000016288
     55        1          -0.000020590   -0.000027902   -0.000016739
     56        1           0.000020068    0.000015530   -0.000007957
     57        1          -0.000035709   -0.000010727   -0.000012186
     58        1           0.000178221    0.000035423    0.000056829
     59        1          -0.000140472   -0.000195899   -0.000004839
     60        1           0.000024292    0.000012497   -0.000020737
     61        1          -0.000020318    0.000006969   -0.000044732
     62        1           0.000061280    0.000060358   -0.000086307
     63        1          -0.000225674    0.000131678    0.000175084
     64        1           0.000159760    0.000109758   -0.000007065
     65        1           0.000126462    0.000028007   -0.000047834
     66        1           0.000175021   -0.000162703   -0.000273330
     67        1          -0.000016149   -0.000020933    0.000044827
     68        1          -0.000054580    0.000050335    0.000047634
     69        1          -0.000041989   -0.000030435   -0.000007513
     70        1          -0.000014200    0.000001823    0.000023893
     71        1          -0.000001838    0.000011829    0.000013659
     72        1           0.000001115    0.000000319   -0.000002138
     73        1          -0.000006068   -0.000005934    0.000022547
     74        1           0.000099989   -0.000080846    0.000155885
     75        1          -0.000006462    0.000131973    0.000126535
     76        1          -0.000012529   -0.000098891    0.000022538
     77        1           0.000356128   -0.000118236    0.000263606
     78        1           0.000197006   -0.000063048   -0.000221510
     79        1           0.000131079   -0.000236395    0.000064215
     80        1           0.000033437   -0.000121504    0.000131996
     81        1          -0.000063534   -0.000015582   -0.000007384
     82        1           0.000003968   -0.000007269   -0.000010962
     83        1           0.000007208   -0.000004284   -0.000016562
     84        1          -0.000005122   -0.000003090    0.000004865
     85        1           0.000019145   -0.000025136    0.000002097
     86        1          -0.000266434    0.000370375   -0.000296440
     87        1           0.000035941   -0.000236017    0.000037624
     88        1          -0.000063208   -0.000251081    0.000330901
     89        1          -0.000227846    0.000472306   -0.000147628
     90        1           0.000013091   -0.000415352    0.000308766
     91        1          -0.000129183   -0.000043073   -0.000229199
     92        1          -0.000031678   -0.000023871   -0.000114097
     93        1          -0.000850372   -0.000088540   -0.000188546
     94        1          -0.000238726   -0.000122176    0.000279582
     95        1          -0.000041255    0.000095396   -0.000232106
     96        1           0.000688576    0.000339072    0.000392667
     97        1           0.000097363   -0.000044989    0.000141719
     98        1          -0.000100397    0.000028985    0.000125500
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002335807 RMS     0.000371512

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005646029 RMS     0.000625321
 Search for a local minimum.
 Step number  73 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   69   70   72   73
 DE=  2.08D-04 DEPred=-1.50D-04 R=-1.39D+00
 Trust test=-1.39D+00 RLast= 2.46D-01 DXMaxT set to 1.56D-01
     Eigenvalues ---   -0.00004   0.00056   0.00145   0.00201   0.00264
     Eigenvalues ---    0.00299   0.00320   0.00376   0.00477   0.00526
     Eigenvalues ---    0.00660   0.00735   0.00763   0.00789   0.00850
     Eigenvalues ---    0.00902   0.00990   0.01068   0.01161   0.01185
     Eigenvalues ---    0.01297   0.01316   0.01423   0.01447   0.01471
     Eigenvalues ---    0.01562   0.01601   0.01688   0.01731   0.01754
     Eigenvalues ---    0.01926   0.01976   0.02097   0.02102   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02238   0.02258   0.02268
     Eigenvalues ---    0.02290   0.02327   0.02369   0.02403   0.02408
     Eigenvalues ---    0.02414   0.02445   0.02467   0.02483   0.02486
     Eigenvalues ---    0.02509   0.02527   0.02528   0.02679   0.02698
     Eigenvalues ---    0.02894   0.02957   0.03269   0.03558   0.04010
     Eigenvalues ---    0.04035   0.04148   0.04183   0.04237   0.04429
     Eigenvalues ---    0.04583   0.04745   0.04920   0.04969   0.05080
     Eigenvalues ---    0.05108   0.05193   0.05249   0.05330   0.05404
     Eigenvalues ---    0.05439   0.05469   0.05512   0.05541   0.05578
     Eigenvalues ---    0.05664   0.05720   0.05732   0.05835   0.05850
     Eigenvalues ---    0.05975   0.06003   0.06100   0.06194   0.06237
     Eigenvalues ---    0.06507   0.06789   0.06862   0.07089   0.07131
     Eigenvalues ---    0.07520   0.08139   0.08344   0.08544   0.08739
     Eigenvalues ---    0.09237   0.09693   0.09873   0.10301   0.11213
     Eigenvalues ---    0.12055   0.12892   0.13113   0.13303   0.13443
     Eigenvalues ---    0.13813   0.13945   0.14446   0.14767   0.15608
     Eigenvalues ---    0.15648   0.15864   0.15868   0.15943   0.15969
     Eigenvalues ---    0.15981   0.15985   0.15994   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16001   0.16003   0.16004   0.16009   0.16016
     Eigenvalues ---    0.16035   0.16054   0.16085   0.16120   0.16139
     Eigenvalues ---    0.16155   0.16407   0.16642   0.16849   0.17131
     Eigenvalues ---    0.17686   0.17986   0.18274   0.18502   0.18827
     Eigenvalues ---    0.19211   0.19796   0.20227   0.20862   0.21631
     Eigenvalues ---    0.21794   0.21994   0.22000   0.22001   0.22024
     Eigenvalues ---    0.22075   0.22348   0.22710   0.23064   0.23339
     Eigenvalues ---    0.23493   0.23562   0.23663   0.23976   0.24259
     Eigenvalues ---    0.24434   0.24637   0.24804   0.24984   0.25082
     Eigenvalues ---    0.25235   0.25432   0.25809   0.26611   0.26899
     Eigenvalues ---    0.27870   0.29379   0.29651   0.29758   0.29858
     Eigenvalues ---    0.30018   0.30157   0.30220   0.30328   0.30539
     Eigenvalues ---    0.30632   0.30801   0.31246   0.31334   0.31390
     Eigenvalues ---    0.31434   0.31499   0.31549   0.31659   0.31757
     Eigenvalues ---    0.31940   0.32111   0.32270   0.32305   0.32374
     Eigenvalues ---    0.32568   0.32630   0.32699   0.32809   0.32882
     Eigenvalues ---    0.32941   0.32992   0.33059   0.33095   0.33154
     Eigenvalues ---    0.33206   0.33302   0.33488   0.33537   0.33630
     Eigenvalues ---    0.33691   0.33723   0.33848   0.33951   0.33987
     Eigenvalues ---    0.34023   0.34167   0.34232   0.34289   0.34330
     Eigenvalues ---    0.34461   0.34505   0.34538   0.34694   0.34816
     Eigenvalues ---    0.35841   0.36147   0.36248   0.36314   0.36382
     Eigenvalues ---    0.36574   0.36637   0.36838   0.36961   0.37201
     Eigenvalues ---    0.38204   0.38422   0.39289   0.39773   0.40752
     Eigenvalues ---    0.41291   0.41696   0.42363   0.42529   0.42953
     Eigenvalues ---    0.43340   0.43705   0.44431   0.45183   0.45518
     Eigenvalues ---    0.45836   0.47497   0.47598   0.48357   0.48400
     Eigenvalues ---    0.48640   0.48942   0.49205   0.49479   0.50151
     Eigenvalues ---    0.50362   0.50909   0.51246   0.51401   0.52998
     Eigenvalues ---    0.56413   0.58694   0.59454   0.60686   0.63108
     Eigenvalues ---    0.65837   0.67082   0.77008   0.79213   0.84742
     Eigenvalues ---    1.12771   1.83059   3.832231000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 Eigenvalue     1 is  -3.96D-05 should be greater than     0.000000 Eigenvector:
                         D151      D150      D149       D32       D31
   1                    0.32460   0.31753   0.31282   0.21522   0.21249
                          D35       D33       D34       D36      D240
   1                    0.21068   0.20810   0.20795   0.20357  -0.15327
 Use linear search instead of GDIIS.
 Linear search step of   0.196 exceeds DXMaxT=   0.156 but not scaled.
 RFO step:  Lambda=-1.00342727D-04 EMin=-1.00000000D-04
 RFO eigenvector is Hessian eigenvector with negative curvature.
 Taking step of  3.91D-01 in eigenvector direction.  Step.Grad= -1.01D-06.
 Quartic linear search produced a step of -0.79624.
 Maximum step size (   0.156) exceeded in Quadratic search.
    -- Step size scaled by   0.400
 Iteration  1 RMS(Cart)=  0.04870365 RMS(Int)=  0.00059779
 Iteration  2 RMS(Cart)=  0.00085983 RMS(Int)=  0.00000347
 Iteration  3 RMS(Cart)=  0.00000168 RMS(Int)=  0.00000345
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000345
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89451   0.00003  -0.00009   0.00006  -0.00004   2.89447
    R2        2.07203  -0.00001  -0.00006  -0.00003  -0.00009   2.07193
    R3        2.07366   0.00003   0.00015   0.00000   0.00015   2.07381
    R4        2.07202  -0.00003  -0.00002   0.00002   0.00000   2.07201
    R5        2.89436   0.00011   0.00031  -0.00009   0.00021   2.89458
    R6        2.82743   0.00007   0.00015  -0.00004   0.00012   2.82754
    R7        2.13145  -0.00002  -0.00017   0.00004  -0.00013   2.13132
    R8        2.07206   0.00001   0.00005  -0.00001   0.00005   2.07211
    R9        2.07357   0.00000  -0.00010   0.00002  -0.00008   2.07349
   R10        2.07206  -0.00004  -0.00014   0.00010  -0.00004   2.07201
   R11        2.47782   0.00002  -0.00031   0.00032   0.00001   2.47783
   R12        3.37365   0.00012   0.00096  -0.00098  -0.00002   3.37364
   R13        2.68289   0.00020  -0.00002  -0.00027  -0.00029   2.68259
   R14        2.83953   0.00044   0.00047  -0.00018   0.00030   2.83983
   R15        2.58070   0.00014   0.00008   0.00014   0.00022   2.58091
   R16        2.80524   0.00059   0.00092  -0.00073   0.00019   2.80543
   R17        2.11760  -0.00011  -0.00042   0.00015  -0.00027   2.11733
   R18        2.11818  -0.00018  -0.00043   0.00057   0.00014   2.11832
   R19        2.81373   0.00039   0.00090  -0.00010   0.00080   2.81454
   R20        2.67898   0.00053   0.00111  -0.00025   0.00085   2.67984
   R21        2.08295   0.00001   0.00010   0.00000   0.00011   2.08306
   R22        2.09166   0.00003  -0.00005   0.00019   0.00014   2.09180
   R23        2.08347   0.00004  -0.00007  -0.00018  -0.00025   2.08322
   R24        2.31841   0.00000  -0.00009  -0.00006  -0.00015   2.31826
   R25        2.69677   0.00070   0.00153  -0.00092   0.00060   2.69737
   R26        2.79874  -0.00017   0.00010  -0.00058  -0.00048   2.79826
   R27        1.94683   0.00029  -0.00101   0.00011  -0.00091   1.94592
   R28        2.91523  -0.00023   0.00123  -0.00006   0.00117   2.91640
   R29        2.94248  -0.00042  -0.00059  -0.00013  -0.00072   2.94176
   R30        2.13678   0.00002   0.00039  -0.00050  -0.00011   2.13666
   R31        2.31595  -0.00011   0.00121   0.00044   0.00165   2.31760
   R32        2.62922   0.00045  -0.00168  -0.00039  -0.00207   2.62716
   R33        2.81405  -0.00065   0.00034  -0.00018   0.00016   2.81421
   R34        1.92362   0.00005   0.00046  -0.00012   0.00034   1.92396
   R35        2.91892  -0.00038   0.00010  -0.00037  -0.00027   2.91865
   R36        2.91777  -0.00002  -0.00120   0.00086  -0.00034   2.91743
   R37        2.13627  -0.00015  -0.00079   0.00038  -0.00041   2.13586
   R38        2.84202  -0.00022  -0.00049   0.00029  -0.00020   2.84182
   R39        2.10400  -0.00005   0.00010  -0.00001   0.00008   2.10408
   R40        2.09783   0.00003   0.00012  -0.00005   0.00007   2.09790
   R41        2.65358  -0.00012  -0.00019   0.00015  -0.00004   2.65354
   R42        2.65223  -0.00006   0.00008  -0.00014  -0.00006   2.65218
   R43        2.64045  -0.00004   0.00008  -0.00013  -0.00005   2.64040
   R44        2.05986  -0.00005   0.00001   0.00003   0.00003   2.05990
   R45        2.64254  -0.00002  -0.00020   0.00013  -0.00007   2.64248
   R46        2.05909  -0.00002  -0.00001  -0.00001  -0.00002   2.05907
   R47        2.64273  -0.00004   0.00008  -0.00010  -0.00002   2.64271
   R48        2.05624  -0.00001  -0.00005   0.00001  -0.00003   2.05620
   R49        2.64086  -0.00006  -0.00017   0.00015  -0.00002   2.64084
   R50        2.05851   0.00000   0.00001  -0.00003  -0.00002   2.05849
   R51        2.05564   0.00001   0.00004  -0.00007  -0.00003   2.05561
   R52        2.89805  -0.00128  -0.00181   0.00028  -0.00153   2.89652
   R53        2.09700   0.00014   0.00134  -0.00048   0.00086   2.09786
   R54        2.09522  -0.00007  -0.00009  -0.00058  -0.00068   2.09454
   R55        2.72792   0.00064   0.00033  -0.00022   0.00012   2.72804
   R56        2.94332  -0.00072   0.00028  -0.00025   0.00002   2.94335
   R57        2.11936  -0.00010  -0.00066   0.00067   0.00002   2.11938
   R58        1.87911   0.00032   0.00074   0.00055   0.00130   1.88041
   R59        2.90504  -0.00015  -0.00053   0.00041  -0.00012   2.90493
   R60        2.83007  -0.00128  -0.00007  -0.00007  -0.00015   2.82992
   R61        2.12679  -0.00008  -0.00040  -0.00031  -0.00071   2.12608
   R62        2.84205  -0.00005  -0.00013   0.00021   0.00008   2.84213
   R63        2.11407  -0.00021  -0.00071   0.00008  -0.00063   2.11343
   R64        2.09937  -0.00005   0.00024  -0.00016   0.00008   2.09946
   R65        2.65232  -0.00001  -0.00017   0.00003  -0.00014   2.65217
   R66        2.65087   0.00006   0.00006   0.00001   0.00007   2.65095
   R67        2.63921  -0.00006  -0.00015   0.00010  -0.00005   2.63917
   R68        2.06265  -0.00005  -0.00009  -0.00004  -0.00013   2.06252
   R69        2.64404  -0.00002   0.00008  -0.00008   0.00000   2.64404
   R70        2.05746  -0.00001   0.00007  -0.00004   0.00003   2.05749
   R71        2.64211  -0.00005  -0.00023   0.00008  -0.00015   2.64196
   R72        2.05511  -0.00001  -0.00006   0.00003  -0.00003   2.05508
   R73        2.64172  -0.00003   0.00014  -0.00010   0.00004   2.64176
   R74        2.05678   0.00000  -0.00002   0.00000  -0.00002   2.05676
   R75        2.05348   0.00003   0.00008  -0.00003   0.00005   2.05353
   R76        2.63871  -0.00211   0.00012  -0.00073  -0.00061   2.63810
   R77        1.95031  -0.00051  -0.00012  -0.00080  -0.00092   1.94939
   R78        2.30724   0.00144   0.00086   0.00000   0.00086   2.30809
   R79        2.62863  -0.00069  -0.00164   0.00070  -0.00093   2.62769
   R80        2.76473   0.00045   0.00032  -0.00018   0.00013   2.76487
   R81        2.78934   0.00118   0.00007   0.00064   0.00070   2.79004
   R82        2.09477   0.00002   0.00298  -0.00114   0.00183   2.09660
   R83        2.09675  -0.00017  -0.00048   0.00035  -0.00013   2.09662
   R84        2.58406   0.00073  -0.00013  -0.00026  -0.00040   2.58366
   R85        3.30783   0.00021   0.00350  -0.00018   0.00332   3.31115
   R86        2.66672  -0.00036  -0.00004   0.00039   0.00035   2.66707
   R87        2.05002  -0.00014   0.00014   0.00002   0.00016   2.05018
   R88        2.49431   0.00059   0.00097  -0.00031   0.00066   2.49497
   R89        3.32622  -0.00067  -0.00120   0.00012  -0.00107   3.32515
   R90        2.05358  -0.00026  -0.00001   0.00026   0.00024   2.05382
   R91        2.88743   0.00009   0.00057   0.00004   0.00061   2.88804
   R92        2.89594  -0.00049  -0.00063   0.00013  -0.00050   2.89543
   R93        2.12341  -0.00021  -0.00112   0.00044  -0.00067   2.12274
   R94        2.07630  -0.00003  -0.00012   0.00041   0.00029   2.07659
   R95        2.07552   0.00087   0.00266  -0.00030   0.00235   2.07788
   R96        2.07082   0.00029   0.00050  -0.00013   0.00037   2.07119
   R97        2.07651  -0.00025  -0.00054   0.00003  -0.00051   2.07600
   R98        2.08598  -0.00080  -0.00176   0.00038  -0.00137   2.08460
   R99        2.06985  -0.00001   0.00017  -0.00015   0.00002   2.06986
   R100       3.27972   0.00018   0.00043  -0.00066  -0.00023   3.27949
   R101       2.03762   0.00007  -0.00003   0.00021   0.00017   2.03779
    A1        1.93470   0.00001   0.00006  -0.00001   0.00005   1.93476
    A2        1.94456  -0.00003   0.00006   0.00000   0.00006   1.94462
    A3        1.96159  -0.00001   0.00026  -0.00024   0.00002   1.96160
    A4        1.87419   0.00000  -0.00017   0.00006  -0.00011   1.87408
    A5        1.86937   0.00002   0.00001   0.00025   0.00026   1.86963
    A6        1.87524   0.00001  -0.00025  -0.00004  -0.00029   1.87495
    A7        1.95083   0.00010   0.00039  -0.00015   0.00025   1.95107
    A8        1.92713  -0.00004   0.00020  -0.00048  -0.00028   1.92685
    A9        1.88848  -0.00002  -0.00025   0.00016  -0.00009   1.88839
   A10        1.92678  -0.00007  -0.00041   0.00058   0.00016   1.92694
   A11        1.88946  -0.00001  -0.00006  -0.00006  -0.00012   1.88934
   A12        1.87892   0.00003   0.00012  -0.00005   0.00007   1.87899
   A13        1.96064   0.00001   0.00007   0.00012   0.00019   1.96083
   A14        1.94533   0.00001   0.00004  -0.00001   0.00002   1.94535
   A15        1.93489  -0.00001  -0.00013  -0.00004  -0.00017   1.93472
   A16        1.87485  -0.00001   0.00002   0.00010   0.00012   1.87497
   A17        1.86962   0.00002   0.00012  -0.00020  -0.00008   1.86954
   A18        1.87432  -0.00001  -0.00012   0.00004  -0.00008   1.87423
   A19        2.20986  -0.00003   0.00078  -0.00053   0.00025   2.21012
   A20        2.11733  -0.00006  -0.00099   0.00073  -0.00026   2.11707
   A21        1.95597   0.00009   0.00022  -0.00019   0.00002   1.95599
   A22        1.96189  -0.00007  -0.00023   0.00012  -0.00011   1.96178
   A23        2.05172   0.00001   0.00076  -0.00113  -0.00037   2.05135
   A24        2.01056   0.00003   0.00044  -0.00025   0.00019   2.01075
   A25        2.22089  -0.00004  -0.00120   0.00138   0.00018   2.22107
   A26        1.97575   0.00043   0.00149  -0.00003   0.00146   1.97721
   A27        1.92468  -0.00023  -0.00040  -0.00058  -0.00098   1.92370
   A28        1.92009  -0.00002  -0.00024   0.00026   0.00003   1.92012
   A29        1.92028  -0.00001  -0.00044   0.00068   0.00024   1.92052
   A30        1.88165  -0.00022  -0.00123   0.00040  -0.00083   1.88082
   A31        1.83570   0.00002   0.00073  -0.00077  -0.00003   1.83567
   A32        1.98893  -0.00008  -0.00001  -0.00008  -0.00009   1.98884
   A33        2.11684   0.00008  -0.00130   0.00108  -0.00022   2.11663
   A34        2.01175  -0.00002  -0.00089   0.00043  -0.00046   2.01129
   A35        1.89524   0.00000  -0.00027   0.00026  -0.00001   1.89523
   A36        1.92554  -0.00001   0.00007  -0.00005   0.00002   1.92556
   A37        1.96440   0.00016   0.00078  -0.00034   0.00044   1.96484
   A38        1.88998  -0.00004  -0.00022  -0.00028  -0.00050   1.88948
   A39        1.89860  -0.00009  -0.00061   0.00063   0.00002   1.89862
   A40        1.88859  -0.00004   0.00020  -0.00022  -0.00001   1.88858
   A41        2.12933  -0.00021   0.00008  -0.00037  -0.00029   2.12904
   A42        2.05169   0.00033  -0.00009   0.00034   0.00025   2.05194
   A43        2.10129  -0.00011   0.00013   0.00001   0.00014   2.10142
   A44        2.02472  -0.00044  -0.00180   0.00056  -0.00124   2.02349
   A45        2.06286   0.00026   0.00055   0.00032   0.00086   2.06372
   A46        1.98786   0.00013   0.00041   0.00033   0.00073   1.98860
   A47        1.92231   0.00067   0.00323   0.00011   0.00334   1.92565
   A48        1.90434  -0.00032   0.00016   0.00009   0.00025   1.90459
   A49        1.87529  -0.00025  -0.00211  -0.00026  -0.00237   1.87293
   A50        1.94695  -0.00084  -0.00186  -0.00014  -0.00200   1.94495
   A51        1.91109   0.00007   0.00014   0.00014   0.00029   1.91137
   A52        1.90235   0.00069   0.00039   0.00007   0.00046   1.90280
   A53        2.15672  -0.00067   0.00049  -0.00061  -0.00012   2.15660
   A54        2.01423   0.00110  -0.00110   0.00014  -0.00095   2.01328
   A55        2.11204  -0.00042   0.00049   0.00052   0.00102   2.11306
   A56        2.12269  -0.00233   0.00066   0.00070   0.00134   2.12403
   A57        2.12488   0.00106  -0.00027  -0.00037  -0.00067   2.12421
   A58        2.03524   0.00127  -0.00035  -0.00002  -0.00040   2.03484
   A59        1.92169   0.00096  -0.00128  -0.00029  -0.00157   1.92012
   A60        1.91961  -0.00005  -0.00009   0.00015   0.00006   1.91968
   A61        1.87806  -0.00076   0.00018  -0.00004   0.00014   1.87820
   A62        1.96270  -0.00069   0.00027   0.00022   0.00049   1.96319
   A63        1.88677  -0.00002  -0.00103   0.00072  -0.00031   1.88646
   A64        1.89255   0.00055   0.00199  -0.00077   0.00122   1.89376
   A65        1.99566  -0.00001   0.00037  -0.00046  -0.00009   1.99557
   A66        1.89516  -0.00002  -0.00093   0.00033  -0.00061   1.89455
   A67        1.90042  -0.00005  -0.00005   0.00030   0.00025   1.90067
   A68        1.91842   0.00000   0.00003   0.00000   0.00003   1.91845
   A69        1.92217   0.00006   0.00043  -0.00013   0.00030   1.92247
   A70        1.82393   0.00002   0.00012   0.00001   0.00013   1.82406
   A71        2.09414  -0.00002  -0.00022  -0.00009  -0.00030   2.09383
   A72        2.10364  -0.00001   0.00018   0.00013   0.00030   2.10394
   A73        2.08538   0.00003   0.00004  -0.00004   0.00000   2.08538
   A74        2.09686   0.00000  -0.00003   0.00004   0.00002   2.09687
   A75        2.09732  -0.00001   0.00014  -0.00015  -0.00001   2.09731
   A76        2.08890   0.00001  -0.00011   0.00011   0.00000   2.08890
   A77        2.09866  -0.00001   0.00001  -0.00001  -0.00001   2.09865
   A78        2.09054   0.00001  -0.00010   0.00009  -0.00001   2.09053
   A79        2.09397   0.00000   0.00010  -0.00008   0.00002   2.09399
   A80        2.08982  -0.00001   0.00001  -0.00001   0.00000   2.08982
   A81        2.09675   0.00000   0.00015  -0.00012   0.00003   2.09678
   A82        2.09660   0.00000  -0.00016   0.00013  -0.00003   2.09657
   A83        2.09917  -0.00001   0.00000   0.00001   0.00001   2.09918
   A84        2.09290   0.00000  -0.00004   0.00005   0.00001   2.09292
   A85        2.09110   0.00000   0.00004  -0.00006  -0.00002   2.09108
   A86        2.09642   0.00000  -0.00003   0.00002  -0.00002   2.09640
   A87        2.09742   0.00001  -0.00004   0.00010   0.00006   2.09748
   A88        2.08932  -0.00001   0.00008  -0.00011  -0.00004   2.08928
   A89        1.94002  -0.00019   0.00080  -0.00151  -0.00070   1.93931
   A90        1.93615   0.00067  -0.00044  -0.00041  -0.00085   1.93530
   A91        1.90643  -0.00046   0.00143   0.00064   0.00207   1.90849
   A92        1.90915  -0.00097  -0.00192   0.00033  -0.00159   1.90755
   A93        1.93726   0.00093   0.00013   0.00065   0.00078   1.93805
   A94        1.83217   0.00005  -0.00005   0.00041   0.00036   1.83253
   A95        1.90611  -0.00075  -0.00235  -0.00217  -0.00452   1.90159
   A96        2.01426   0.00164  -0.00041  -0.00018  -0.00058   2.01368
   A97        1.93919  -0.00026   0.00004  -0.00043  -0.00038   1.93881
   A98        1.77918   0.00011   0.00035   0.00359   0.00394   1.78312
   A99        1.89084   0.00027   0.00205  -0.00004   0.00200   1.89285
   A100       1.92446  -0.00103   0.00045  -0.00052  -0.00006   1.92439
   A101       1.92446   0.00062   0.00106  -0.00183  -0.00077   1.92369
   A102       1.94851  -0.00011   0.00005  -0.00052  -0.00047   1.94804
   A103       1.89202  -0.00263  -0.00428   0.00116  -0.00312   1.88891
   A104       1.90658   0.00141   0.00051   0.00044   0.00095   1.90753
   A105       1.95455   0.00172   0.00216  -0.00188   0.00028   1.95483
   A106       1.91812  -0.00076  -0.00011   0.00079   0.00068   1.91880
   A107       1.84046   0.00038   0.00170   0.00008   0.00178   1.84224
   A108       1.94889   0.00010  -0.00057   0.00075   0.00018   1.94907
   A109       1.92243  -0.00009   0.00035  -0.00054  -0.00019   1.92224
   A110       1.91238  -0.00018  -0.00113  -0.00012  -0.00125   1.91113
   A111       1.92084   0.00008   0.00063   0.00003   0.00066   1.92150
   A112       1.92511   0.00002   0.00044  -0.00084  -0.00040   1.92471
   A113       1.83066   0.00007   0.00033   0.00070   0.00103   1.83168
   A114       2.09110   0.00026   0.00102  -0.00001   0.00101   2.09211
   A115       2.10175  -0.00018  -0.00078   0.00003  -0.00075   2.10100
   A116       2.09033  -0.00008  -0.00023  -0.00002  -0.00026   2.09007
   A117       2.09448   0.00002   0.00008   0.00004   0.00013   2.09461
   A118       2.08792   0.00003   0.00004   0.00010   0.00014   2.08806
   A119       2.10076  -0.00005  -0.00012  -0.00015  -0.00027   2.10050
   A120       2.09800   0.00004   0.00014  -0.00006   0.00008   2.09808
   A121       2.09150  -0.00002   0.00004   0.00000   0.00004   2.09154
   A122       2.09369  -0.00002  -0.00019   0.00006  -0.00012   2.09356
   A123       2.09143  -0.00002  -0.00011   0.00001  -0.00010   2.09132
   A124       2.09545   0.00002  -0.00012   0.00005  -0.00008   2.09537
   A125       2.09631   0.00000   0.00023  -0.00005   0.00018   2.09649
   A126       2.09880  -0.00002  -0.00009   0.00005  -0.00003   2.09876
   A127       2.09329   0.00000   0.00025  -0.00009   0.00016   2.09345
   A128       2.09110   0.00001  -0.00016   0.00004  -0.00012   2.09098
   A129       2.09333   0.00006   0.00020  -0.00002   0.00019   2.09352
   A130       2.09922  -0.00003   0.00032  -0.00017   0.00015   2.09937
   A131       2.09063  -0.00002  -0.00052   0.00018  -0.00034   2.09029
   A132       2.07524  -0.00377  -0.00451  -0.00135  -0.00584   2.06941
   A133       1.97090   0.00171  -0.00185   0.00203   0.00020   1.97111
   A134       2.02134   0.00045  -0.00324   0.00187  -0.00135   2.01999
   A135       2.25331  -0.00053  -0.00152  -0.00083  -0.00235   2.25096
   A136       1.90611  -0.00033   0.00074   0.00079   0.00153   1.90764
   A137       2.12244   0.00095   0.00083   0.00009   0.00092   2.12337
   A138       2.01273   0.00095   0.00376  -0.00192   0.00183   2.01456
   A139       1.91869  -0.00172   0.00448   0.00006   0.00454   1.92323
   A140       1.76196   0.00058  -0.00229   0.00080  -0.00148   1.76048
   A141       1.89229   0.00013  -0.00200   0.00078  -0.00121   1.89107
   A142       1.98521  -0.00113  -0.00281   0.00005  -0.00276   1.98245
   A143       1.96490   0.00214   0.00188  -0.00081   0.00107   1.96597
   A144       1.92839  -0.00020   0.00038  -0.00066  -0.00028   1.92811
   A145       2.27965  -0.00123  -0.00017   0.00082   0.00065   2.28030
   A146       2.08798   0.00189   0.00171  -0.00103   0.00068   2.08866
   A147       1.91532  -0.00067  -0.00144   0.00024  -0.00120   1.91412
   A148       2.01194   0.00035   0.00121  -0.00034   0.00089   2.01283
   A149       2.22058  -0.00024  -0.00015   0.00038   0.00025   2.22084
   A150       2.05063  -0.00011  -0.00107  -0.00006  -0.00112   2.04952
   A151       1.94681  -0.00006  -0.00060   0.00025  -0.00035   1.94646
   A152       1.98200  -0.00013   0.00055  -0.00016   0.00041   1.98241
   A153       2.18236   0.00003   0.00024   0.00038   0.00062   2.18298
   A154       2.11847   0.00008  -0.00112  -0.00019  -0.00131   2.11717
   A155       1.56868   0.00050   0.00003   0.00000   0.00004   1.56872
   A156       1.96887  -0.00067  -0.00130   0.00020  -0.00109   1.96777
   A157       1.92532   0.00063   0.00011  -0.00043  -0.00032   1.92499
   A158       1.85642  -0.00002   0.00034   0.00000   0.00034   1.85676
   A159       1.93246  -0.00014   0.00041   0.00099   0.00140   1.93387
   A160       1.88932   0.00025   0.00096  -0.00124  -0.00029   1.88904
   A161       1.88782  -0.00003  -0.00049   0.00043  -0.00006   1.88777
   A162       1.95602  -0.00009   0.00088  -0.00034   0.00054   1.95656
   A163       1.96948  -0.00001  -0.00053  -0.00005  -0.00057   1.96890
   A164       1.94014   0.00024   0.00163  -0.00120   0.00043   1.94057
   A165       1.85602   0.00000  -0.00058  -0.00052  -0.00110   1.85493
   A166       1.86514   0.00003  -0.00021   0.00034   0.00013   1.86527
   A167       1.87089  -0.00018  -0.00135   0.00191   0.00055   1.87144
   A168       1.93043   0.00000  -0.00020   0.00035   0.00014   1.93057
   A169       1.96181  -0.00030   0.00075   0.00072   0.00147   1.96328
   A170       1.96149   0.00013   0.00002  -0.00022  -0.00020   1.96129
   A171       1.85714   0.00004   0.00052  -0.00068  -0.00016   1.85698
   A172       1.86460  -0.00008  -0.00077   0.00064  -0.00013   1.86447
   A173       1.88268   0.00021  -0.00038  -0.00084  -0.00122   1.88146
   A174       1.91649  -0.00003  -0.00016  -0.00001  -0.00017   1.91633
   A175       2.23733   0.00001  -0.00047  -0.00014  -0.00062   2.23671
   A176       2.12924   0.00002   0.00068   0.00016   0.00084   2.13008
   A177       1.57984  -0.00002  -0.00025   0.00033   0.00007   1.57991
    D1        1.07392   0.00005   0.00404   0.00283   0.00686   1.08078
    D2       -3.05715   0.00001   0.00393   0.00312   0.00704  -3.05011
    D3       -1.00494   0.00002   0.00404   0.00288   0.00692  -0.99802
    D4       -3.12319   0.00005   0.00391   0.00290   0.00680  -3.11639
    D5       -0.97108   0.00000   0.00379   0.00319   0.00698  -0.96409
    D6        1.08114   0.00001   0.00390   0.00295   0.00686   1.08800
    D7       -1.01742   0.00003   0.00381   0.00268   0.00649  -1.01093
    D8        1.13470  -0.00001   0.00370   0.00297   0.00667   1.14137
    D9       -3.09627  -0.00001   0.00381   0.00273   0.00654  -3.08973
   D10        0.99412   0.00000   0.00135  -0.00088   0.00047   0.99459
   D11        3.09928   0.00000   0.00146  -0.00068   0.00077   3.10006
   D12       -1.09703  -0.00002   0.00124  -0.00067   0.00057  -1.09646
   D13       -1.15820   0.00002   0.00112  -0.00057   0.00054  -1.15765
   D14        0.94697   0.00002   0.00122  -0.00037   0.00085   0.94782
   D15        3.03385   0.00000   0.00100  -0.00036   0.00064   3.03449
   D16        3.07240   0.00003   0.00124  -0.00081   0.00043   3.07283
   D17       -1.10563   0.00003   0.00135  -0.00061   0.00074  -1.10489
   D18        0.98125   0.00001   0.00113  -0.00060   0.00053   0.98178
   D19        2.07268  -0.00010   0.00167  -0.00666  -0.00499   2.06768
   D20       -1.07625   0.00002   0.00567  -0.00649  -0.00082  -1.07708
   D21       -2.04449  -0.00004   0.00202  -0.00678  -0.00476  -2.04926
   D22        1.08976   0.00007   0.00602  -0.00661  -0.00059   1.08917
   D23        0.01458  -0.00008   0.00178  -0.00655  -0.00477   0.00981
   D24       -3.13435   0.00004   0.00578  -0.00638  -0.00060  -3.13495
   D25       -3.14098   0.00001   0.00070   0.00086   0.00156  -3.13942
   D26        0.00738  -0.00010  -0.00298   0.00070  -0.00228   0.00509
   D27        3.14127   0.00003   0.00000  -0.00091  -0.00091   3.14036
   D28       -0.00668   0.00013   0.00346  -0.00076   0.00270  -0.00397
   D29        3.13249  -0.00001   0.00122  -0.00087   0.00035   3.13284
   D30       -0.00448   0.00001   0.00073  -0.00025   0.00049  -0.00399
   D31        1.86043  -0.00002  -0.01495   0.03325   0.01830   1.87873
   D32       -2.26298   0.00011  -0.01474   0.03368   0.01895  -2.24404
   D33       -0.24591  -0.00001  -0.01421   0.03257   0.01836  -0.22755
   D34       -1.28643  -0.00004  -0.01439   0.03254   0.01815  -1.26828
   D35        0.87335   0.00009  -0.01418   0.03297   0.01879   0.89214
   D36        2.89042  -0.00003  -0.01366   0.03186   0.01820   2.90862
   D37       -0.00072   0.00010   0.00191  -0.00034   0.00157   0.00085
   D38       -3.12551  -0.00010  -0.00232  -0.00067  -0.00300  -3.12851
   D39       -3.13716   0.00011   0.00137   0.00036   0.00173  -3.13543
   D40        0.02124  -0.00008  -0.00287   0.00002  -0.00285   0.01839
   D41       -1.25650   0.00006   0.00329   0.00317   0.00647  -1.25003
   D42        1.26966   0.00002  -0.00061   0.00565   0.00503   1.27469
   D43        2.86450   0.00006   0.00306   0.00344   0.00650   2.87100
   D44       -0.89253   0.00002  -0.00084   0.00591   0.00507  -0.88746
   D45        0.87150   0.00016   0.00309   0.00378   0.00686   0.87836
   D46       -2.88553   0.00011  -0.00082   0.00625   0.00543  -2.88010
   D47       -1.20695  -0.00001   0.00240   0.00405   0.00645  -1.20049
   D48        3.00748   0.00004   0.00279   0.00426   0.00705   3.01454
   D49        0.89611  -0.00002   0.00195   0.00480   0.00676   0.90286
   D50        2.51169  -0.00001   0.00624   0.00148   0.00772   2.51941
   D51        0.44294   0.00004   0.00663   0.00169   0.00832   0.45125
   D52       -1.66844  -0.00002   0.00579   0.00223   0.00802  -1.66042
   D53       -2.78360   0.00027   0.00470  -0.00221   0.00250  -2.78111
   D54        0.40295   0.00004   0.00142  -0.00159  -0.00017   0.40278
   D55       -0.26490   0.00021   0.00103   0.00013   0.00117  -0.26373
   D56        2.92165  -0.00002  -0.00225   0.00075  -0.00149   2.92016
   D57        2.84516   0.00020   0.00351  -0.00173   0.00178   2.84694
   D58        0.39092   0.00022   0.00458  -0.00358   0.00100   0.39192
   D59       -0.25223  -0.00003   0.00029  -0.00111  -0.00082  -0.25305
   D60       -2.70648   0.00000   0.00135  -0.00296  -0.00161  -2.70808
   D61       -1.46409  -0.00041   0.01940   0.00766   0.02706  -1.43703
   D62        2.67647   0.00042   0.01952   0.00771   0.02723   2.70371
   D63        0.61639  -0.00009   0.02014   0.00773   0.02788   0.64427
   D64        1.01937  -0.00037   0.01849   0.00942   0.02791   1.04727
   D65       -1.12325   0.00046   0.01860   0.00947   0.02807  -1.09518
   D66        3.09985  -0.00005   0.01923   0.00949   0.02872   3.12857
   D67       -0.50768  -0.00033  -0.02679  -0.00444  -0.03124  -0.53891
   D68        2.65466  -0.00029  -0.02163  -0.00696  -0.02859   2.62608
   D69        1.60971  -0.00083  -0.02562  -0.00436  -0.02997   1.57974
   D70       -1.51113  -0.00080  -0.02045  -0.00687  -0.02733  -1.53846
   D71       -2.56620  -0.00047  -0.02624  -0.00427  -0.03051  -2.59670
   D72        0.59614  -0.00043  -0.02107  -0.00679  -0.02786   0.56828
   D73        1.23589  -0.00010   0.00583  -0.00769  -0.00186   1.23403
   D74       -2.87611  -0.00030   0.00550  -0.00658  -0.00108  -2.87719
   D75       -0.83278  -0.00001   0.00517  -0.00629  -0.00112  -0.83389
   D76       -0.89191  -0.00018   0.00287  -0.00779  -0.00492  -0.89682
   D77        1.27928  -0.00037   0.00254  -0.00668  -0.00413   1.27514
   D78       -2.96058  -0.00009   0.00222  -0.00639  -0.00417  -2.96475
   D79       -3.00428  -0.00019   0.00362  -0.00792  -0.00430  -3.00858
   D80       -0.83310  -0.00038   0.00329  -0.00680  -0.00351  -0.83662
   D81        1.21023  -0.00010   0.00296  -0.00652  -0.00355   1.20668
   D82        3.14135  -0.00081  -0.00622  -0.00171  -0.00793   3.13342
   D83       -0.03071  -0.00085  -0.00453   0.01073   0.00620  -0.02451
   D84        0.01993  -0.00077  -0.00120  -0.00414  -0.00534   0.01459
   D85        3.13105  -0.00081   0.00049   0.00830   0.00879   3.13984
   D86        2.39066  -0.00044   0.00572   0.01195   0.01767   2.40833
   D87       -1.72017  -0.00069   0.00511   0.01213   0.01725  -1.70293
   D88        0.33814  -0.00050   0.00755   0.01127   0.01882   0.35696
   D89       -0.72194  -0.00041   0.00410   0.00013   0.00423  -0.71771
   D90        1.45041  -0.00066   0.00350   0.00031   0.00381   1.45421
   D91       -2.77447  -0.00047   0.00593  -0.00055   0.00538  -2.76909
   D92        1.03397   0.00017  -0.00185  -0.00021  -0.00206   1.03191
   D93       -1.11512   0.00018  -0.00144  -0.00014  -0.00158  -1.11670
   D94       -3.09120   0.00020  -0.00107  -0.00048  -0.00155  -3.09275
   D95       -1.11334   0.00001  -0.00099  -0.00035  -0.00134  -1.11468
   D96        3.02076   0.00003  -0.00058  -0.00028  -0.00086   3.01990
   D97        1.04467   0.00004  -0.00021  -0.00062  -0.00083   1.04385
   D98        3.08110  -0.00023  -0.00295   0.00000  -0.00295   3.07815
   D99        0.93201  -0.00021  -0.00253   0.00007  -0.00246   0.92955
   D100      -1.04408  -0.00020  -0.00216  -0.00027  -0.00243  -1.04651
   D101       1.12759  -0.00175   0.00843   0.01125   0.01969   1.14728
   D102      -1.00074  -0.00085   0.01064   0.01216   0.02280  -0.97794
   D103      -3.01210  -0.00101   0.01011   0.01152   0.02163  -2.99047
   D104      -3.00712  -0.00103   0.00690   0.01115   0.01805  -2.98907
   D105       1.14774  -0.00013   0.00911   0.01205   0.02116   1.16889
   D106      -0.86363  -0.00030   0.00858   0.01141   0.01999  -0.84364
   D107      -0.92173  -0.00113   0.00711   0.01166   0.01877  -0.90296
   D108      -3.05006  -0.00023   0.00931   0.01257   0.02188  -3.02818
   D109       1.22176  -0.00039   0.00879   0.01193   0.02072   1.24248
   D110      -1.64270   0.00003  -0.00312  -0.00186  -0.00498  -1.64768
   D111       1.50691   0.00002  -0.00348  -0.00184  -0.00532   1.50159
   D112       0.49377   0.00000  -0.00406  -0.00176  -0.00582   0.48796
   D113      -2.63981  -0.00001  -0.00442  -0.00174  -0.00616  -2.64597
   D114       2.49420   0.00005  -0.00365  -0.00182  -0.00548   2.48873
   D115      -0.63938   0.00004  -0.00401  -0.00180  -0.00582  -0.64519
   D116       3.13987  -0.00001  -0.00022   0.00012  -0.00010   3.13978
   D117      -0.01768  -0.00001   0.00014   0.00036   0.00049  -0.01718
   D118      -0.00965   0.00000   0.00014   0.00010   0.00024  -0.00941
   D119       3.11599   0.00000   0.00049   0.00034   0.00083   3.11682
   D120      -3.13882   0.00000   0.00009   0.00003   0.00011  -3.13871
   D121       0.01088  -0.00001   0.00009   0.00002   0.00011   0.01099
   D122       0.01075  -0.00001  -0.00027   0.00005  -0.00022   0.01052
   D123      -3.12274  -0.00001  -0.00027   0.00004  -0.00023  -3.12297
   D124       0.00111   0.00000   0.00010  -0.00016  -0.00007   0.00104
   D125       3.13716   0.00001   0.00045  -0.00027   0.00019   3.13735
   D126      -3.12460   0.00001  -0.00026  -0.00040  -0.00065  -3.12526
   D127       0.01145   0.00001   0.00010  -0.00050  -0.00040   0.01105
   D128       0.00638  -0.00001  -0.00021   0.00008  -0.00013   0.00625
   D129       3.14118   0.00001   0.00009   0.00001   0.00010   3.14128
   D130      -3.12967  -0.00001  -0.00056   0.00019  -0.00038  -3.13005
   D131       0.00513   0.00000  -0.00026   0.00011  -0.00015   0.00498
   D132      -0.00527   0.00000   0.00008   0.00006   0.00014  -0.00513
   D133       3.13311   0.00001   0.00017   0.00006   0.00022   3.13334
   D134      -3.14007  -0.00001  -0.00022   0.00014  -0.00008  -3.14016
   D135      -0.00169  -0.00001  -0.00013   0.00013   0.00000  -0.00169
   D136      -0.00332   0.00001   0.00016  -0.00013   0.00003  -0.00329
   D137       3.13020   0.00001   0.00016  -0.00012   0.00004   3.13024
   D138       3.14147   0.00000   0.00008  -0.00012  -0.00005   3.14143
   D139      -0.00819   0.00001   0.00007  -0.00012  -0.00004  -0.00823
   D140      -1.84474  -0.00017  -0.00179   0.00460   0.00281  -1.84193
   D141       2.44730  -0.00078  -0.00040   0.00166   0.00126   2.44857
   D142       0.24003  -0.00049  -0.00072   0.00289   0.00217   0.24220
   D143       0.29921  -0.00012  -0.00313   0.00331   0.00018   0.29939
   D144      -1.69193  -0.00073  -0.00174   0.00036  -0.00137  -1.69330
   D145       2.38399  -0.00044  -0.00206   0.00160  -0.00046   2.38352
   D146       2.31281  -0.00010  -0.00426   0.00437   0.00012   2.31293
   D147       0.32167  -0.00071  -0.00286   0.00143  -0.00144   0.32024
   D148      -1.88560  -0.00042  -0.00319   0.00266  -0.00053  -1.88612
   D149       1.16808  -0.00071   0.05339   0.04896   0.10235   1.27043
   D150      -2.97612   0.00090   0.05200   0.04969   0.10169  -2.87443
   D151      -0.94637  -0.00010   0.05350   0.05080   0.10430  -0.84206
   D152      -0.97755  -0.00011   0.00057  -0.00822  -0.00765  -0.98520
   D153      -3.13856  -0.00038   0.00080  -0.00630  -0.00551   3.13912
   D154       1.14753  -0.00017   0.00081  -0.00726  -0.00645   1.14108
   D155      -3.04081  -0.00009   0.00339  -0.00784  -0.00445  -3.04526
   D156       1.08136  -0.00036   0.00362  -0.00593  -0.00231   1.07905
   D157      -0.91574  -0.00015   0.00363  -0.00688  -0.00325  -0.91898
   D158       1.23720  -0.00003   0.00069  -0.00940  -0.00871   1.22849
   D159      -0.92381  -0.00030   0.00092  -0.00749  -0.00657  -0.93038
   D160      -2.92091  -0.00009   0.00093  -0.00844  -0.00751  -2.92842
   D161       2.97878   0.00115  -0.00507   0.00915   0.00408   2.98286
   D162      -1.16463   0.00125  -0.00441   0.00932   0.00491  -1.15972
   D163       0.84061   0.00118  -0.00446   0.00979   0.00533   0.84594
   D164      -1.17910  -0.00110  -0.00903   0.00893  -0.00010  -1.17920
   D165       0.96067  -0.00099  -0.00837   0.00910   0.00073   0.96141
   D166       2.96592  -0.00107  -0.00842   0.00958   0.00115   2.96707
   D167       0.86038  -0.00005  -0.00567   0.00839   0.00272   0.86310
   D168       3.00016   0.00005  -0.00501   0.00856   0.00355   3.00370
   D169      -1.27779  -0.00002  -0.00507   0.00904   0.00397  -1.27382
   D170       1.16562  -0.00271  -0.01649  -0.00824  -0.02473   1.14089
   D171      -1.28960  -0.00081  -0.00238  -0.01254  -0.01492  -1.30452
   D172      -0.99177  -0.00187  -0.01497  -0.00715  -0.02212  -1.01389
   D173       2.83620   0.00003  -0.00086  -0.01144  -0.01231   2.82389
   D174      -3.07746  -0.00214  -0.01707  -0.00713  -0.02421  -3.10167
   D175       0.75050  -0.00024  -0.00297  -0.01143  -0.01440   0.73611
   D176       1.66548   0.00010  -0.00382   0.00196  -0.00186   1.66362
   D177      -1.47904   0.00009  -0.00367   0.00172  -0.00195  -1.48100
   D178      -0.47520   0.00009  -0.00432   0.00211  -0.00221  -0.47742
   D179       2.66346   0.00008  -0.00417   0.00187  -0.00230   2.66116
   D180      -2.48684  -0.00005  -0.00534   0.00173  -0.00361  -2.49045
   D181       0.65182  -0.00006  -0.00519   0.00149  -0.00370   0.64812
   D182       3.13663  -0.00002   0.00037  -0.00021   0.00016   3.13678
   D183      -0.01197   0.00000   0.00075  -0.00039   0.00035  -0.01162
   D184      -0.00205  -0.00001   0.00022   0.00003   0.00025  -0.00181
   D185       3.13253   0.00001   0.00060  -0.00016   0.00044   3.13297
   D186      -3.13618   0.00001  -0.00031   0.00021  -0.00011  -3.13629
   D187       0.00595   0.00002  -0.00031   0.00024  -0.00007   0.00588
   D188       0.00248   0.00000  -0.00016  -0.00003  -0.00019   0.00229
   D189      -3.13857   0.00001  -0.00015   0.00000  -0.00016  -3.13873
   D190      -0.00001   0.00001  -0.00012   0.00000  -0.00012  -0.00013
   D191       3.14046   0.00001  -0.00002  -0.00002  -0.00004   3.14042
   D192      -3.13454  -0.00001  -0.00050   0.00018  -0.00032  -3.13486
   D193       0.00593  -0.00001  -0.00040   0.00016  -0.00024   0.00569
   D194       0.00165   0.00000  -0.00003  -0.00002  -0.00006   0.00159
   D195      -3.14105   0.00000   0.00012  -0.00008   0.00005  -3.14100
   D196      -3.13882  -0.00001  -0.00014   0.00000  -0.00014  -3.13896
   D197       0.00167   0.00000   0.00002  -0.00006  -0.00004   0.00163
   D198      -0.00122   0.00000   0.00009   0.00002   0.00011  -0.00110
   D199       3.14020   0.00000   0.00016   0.00004   0.00020   3.14040
   D200       3.14148  -0.00001  -0.00007   0.00007   0.00001   3.14148
   D201      -0.00029  -0.00001   0.00000   0.00009   0.00009  -0.00020
   D202      -0.00085   0.00000   0.00001   0.00001   0.00001  -0.00084
   D203       3.14020   0.00000   0.00000  -0.00002  -0.00002   3.14018
   D204       3.14092   0.00000  -0.00006  -0.00001  -0.00007   3.14085
   D205      -0.00121   0.00000  -0.00007  -0.00004  -0.00011  -0.00132
   D206       0.54924  -0.00019   0.01621  -0.00598   0.01024   0.55948
   D207      -2.64774   0.00181   0.01744  -0.00506   0.01238  -2.63537
   D208       2.98538  -0.00173   0.00223  -0.00156   0.00067   2.98605
   D209      -0.21161   0.00027   0.00346  -0.00064   0.00281  -0.20880
   D210       3.09836  -0.00565  -0.00552  -0.00449  -0.01002   3.08835
   D211      -0.09370  -0.00388  -0.00449  -0.00370  -0.00819  -0.10189
   D212      -1.14115  -0.00319  -0.01027   0.00238  -0.00789  -1.14903
   D213       3.04019  -0.00145  -0.00776   0.00186  -0.00590   3.03429
   D214       1.01355  -0.00155  -0.00637   0.00193  -0.00444   1.00910
   D215      -1.99871   0.00055  -0.04952   0.00224  -0.04728  -2.04599
   D216       1.11708  -0.00026  -0.04290   0.00393  -0.03897   1.07811
   D217      -0.03776  -0.00045  -0.05116   0.00330  -0.04786  -0.08562
   D218       3.07802  -0.00126  -0.04454   0.00500  -0.03955   3.03847
   D219       2.17288   0.00015  -0.05141   0.00174  -0.04966   2.12321
   D220      -0.99453  -0.00066  -0.04479   0.00344  -0.04135  -1.03588
   D221       3.12430  -0.00054   0.01515   0.00312   0.01828  -3.14060
   D222      -0.00924  -0.00063   0.00121   0.00649   0.00770  -0.00154
   D223       0.00655   0.00017   0.00901   0.00157   0.01059   0.01713
   D224      -3.12700   0.00008  -0.00493   0.00494   0.00001  -3.12699
   D225      -3.12729   0.00027  -0.01709  -0.00200  -0.01908   3.13681
   D226      -0.00651  -0.00039  -0.01174  -0.00062  -0.01236  -0.01888
   D227      -0.00260   0.00025   0.00039  -0.00198  -0.00159  -0.00419
   D228       3.13177   0.00033   0.01289  -0.00500   0.00790   3.13967
   D229      -0.00270  -0.00056  -0.00983   0.00143  -0.00840  -0.01110
   D230      -3.11594   0.00040   0.00100   0.00011   0.00112  -3.11483
   D231       0.00540   0.00056   0.01269  -0.00049   0.01220   0.01760
   D232       3.11980  -0.00036   0.00233   0.00078   0.00311   3.12291
   D233      -0.94620   0.00022   0.02127  -0.02235  -0.00109  -0.94729
   D234       1.14851   0.00015   0.02077  -0.02331  -0.00253   1.14598
   D235      -3.03214   0.00008   0.01982  -0.02174  -0.00191  -3.03406
   D236      -3.11346   0.00000   0.02177  -0.02269  -0.00092  -3.11438
   D237      -1.01875  -0.00008   0.02128  -0.02365  -0.00237  -1.02112
   D238       1.08378  -0.00014   0.02033  -0.02208  -0.00175   1.08203
   D239       1.10316  -0.00004   0.02154  -0.02303  -0.00149   1.10167
   D240      -3.08531  -0.00011   0.02105  -0.02399  -0.00294  -3.08825
   D241      -0.98278  -0.00018   0.02010  -0.02242  -0.00232  -0.98510
   D242       2.94244   0.00030   0.00206   0.00054   0.00261   2.94505
   D243      -1.26772   0.00017   0.00308   0.00039   0.00347  -1.26425
   D244       0.86018   0.00031   0.00316  -0.00035   0.00281   0.86299
   D245      -1.14880  -0.00020   0.00077   0.00121   0.00197  -1.14682
   D246       0.92422  -0.00034   0.00179   0.00105   0.00284   0.92706
   D247       3.05213  -0.00020   0.00186   0.00031   0.00218   3.05430
   D248       0.91868   0.00000   0.00187   0.00053   0.00240   0.92108
   D249       2.99169  -0.00014   0.00289   0.00038   0.00327   2.99496
   D250      -1.16358   0.00000   0.00297  -0.00036   0.00260  -1.16098
   D251       0.00395  -0.00013  -0.00291   0.00060  -0.00232   0.00163
   D252       3.12997   0.00006   0.00100   0.00090   0.00191   3.13188
         Item               Value     Threshold  Converged?
 Maximum Force            0.005646     0.000450     NO 
 RMS     Force            0.000625     0.000300     NO 
 Maximum Displacement     0.257621     0.001800     NO 
 RMS     Displacement     0.048751     0.001200     NO 
 Predicted change in Energy=-1.914433D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.798678   -1.992009    0.960378
      2          6           0       -9.312492   -0.958749   -0.060438
      3          6           0      -10.047456    0.376888    0.088359
      4          6           0       -7.834993   -0.757885    0.063985
      5          7           0       -6.933151   -0.992419   -0.858485
      6          6           0       -5.616999   -0.697777   -0.415652
      7          6           0       -4.489732   -0.936331   -1.380375
      8          7           0       -3.901676    0.316617   -1.917265
      9          6           0       -4.782122    1.033085   -2.881508
     10          6           0       -3.082322    1.148970   -1.112976
     11          8           0       -2.894012    2.330917   -1.382247
     12          7           0       -2.430681    0.550583    0.007174
     13          6           0       -1.303527    1.316795    0.586086
     14          6           0       -0.012889    1.064767   -0.221679
     15          8           0        0.229722    0.011270   -0.800810
     16          7           0        0.896822    2.115970   -0.233461
     17          6           0        2.193092    2.020892   -0.960381
     18          6           0        2.480919    3.344092   -1.703158
     19          6           0        2.554583    4.552346   -0.810862
     20          6           0        1.414938    5.348351   -0.612520
     21          6           0        1.478714    6.470536    0.217489
     22          6           0        2.676925    6.808409    0.854263
     23          6           0        3.815767    6.022487    0.651632
     24          6           0        3.758377    4.899722   -0.178453
     25          6           0        3.321518    1.637166    0.020862
     26          6           0        3.112481    0.224428    0.577521
     27          8           0        2.655518    0.321544    1.943458
     28          6           0        4.404345   -0.633283    0.723789
     29          6           0        5.154437   -0.759600   -0.612045
     30          6           0        6.505448   -1.395608   -0.432469
     31          6           0        6.660288   -2.776069   -0.632670
     32          6           0        7.914639   -3.368820   -0.472348
     33          6           0        9.020259   -2.590584   -0.112316
     34          6           0        8.866783   -1.215637    0.089071
     35          6           0        7.613823   -0.616207   -0.069228
     36          7           0        4.019015   -1.969467    1.279418
     37          6           0        3.216297   -2.808447    0.504411
     38          8           0        3.170640   -2.920210   -0.710998
     39          8           0        2.454649   -3.617056    1.340818
     40          6           0        1.508773   -4.505434    0.664965
     41          6           0        0.461711   -3.714836   -0.012128
     42          6           0       -0.889806   -3.668960    0.189281
     43          7           0       -1.596425   -2.786000   -0.655103
     44          6           0       -0.786125   -2.161118   -1.489416
     45         16           0        0.906271   -2.598209   -1.287145
     46          6           0       -1.127505    0.915008    2.079716
     47          6           0       -0.576554   -0.500314    2.249901
     48          6           0       -0.241700    1.934435    2.803420
     49          6           0       -5.525196   -0.227637    0.863348
     50         16           0       -7.107135   -0.136604    1.571087
     51          1           0      -10.862516   -2.213818    0.814815
     52          1           0       -9.250630   -2.938000    0.865189
     53          1           0       -9.679546   -1.646062    1.993992
     54          1           0       -9.517197   -1.361342   -1.093904
     55          1           0       -9.950125    0.796222    1.096835
     56          1           0       -9.666078    1.125728   -0.617144
     57          1           0      -11.119272    0.256676   -0.109090
     58          1           0       -3.692550   -1.558747   -0.898206
     59          1           0       -4.851113   -1.544521   -2.249901
     60          1           0       -4.856102    0.432577   -3.802919
     61          1           0       -4.346362    2.016584   -3.142552
     62          1           0       -5.796817    1.200377   -2.484423
     63          1           0       -2.281870   -0.468296   -0.002754
     64          1           0       -1.576964    2.412418    0.528935
     65          1           0        0.704813    2.995167    0.242669
     66          1           0        2.093544    1.200288   -1.731201
     67          1           0        1.696216    3.492737   -2.478966
     68          1           0        3.424052    3.235632   -2.278655
     69          1           0        0.480290    5.102083   -1.116499
     70          1           0        0.591822    7.086320    0.364067
     71          1           0        2.724695    7.682858    1.500027
     72          1           0        4.752649    6.287461    1.140129
     73          1           0        4.652446    4.301011   -0.337985
     74          1           0        3.376290    2.358763    0.862709
     75          1           0        4.299773    1.721585   -0.493343
     76          1           0        2.341299   -0.333095   -0.015999
     77          1           0        1.710974    0.633573    1.968752
     78          1           0        5.074677   -0.166734    1.497596
     79          1           0        4.545650   -1.350047   -1.341105
     80          1           0        5.260207    0.245047   -1.074411
     81          1           0        5.795046   -3.382001   -0.907340
     82          1           0        8.031288   -4.440183   -0.627307
     83          1           0        9.995959   -3.054681    0.011305
     84          1           0        9.725260   -0.608563    0.370264
     85          1           0        7.503228    0.452958    0.090564
     86          1           0        3.792393   -1.936406    2.285248
     87          1           0        1.131357   -5.100215    1.522126
     88          1           0        2.076262   -5.151726   -0.035904
     89          1           0       -1.464807   -4.232585    0.916416
     90          1           0       -1.093695   -1.416038   -2.218436
     91          1           0       -2.151349    0.951373    2.540402
     92          1           0       -1.181150   -1.246382    1.715677
     93          1           0        0.450018   -0.606604    1.870566
     94          1           0       -0.565000   -0.796668    3.305041
     95          1           0       -0.274881    1.773463    3.889630
     96          1           0        0.818591    1.856109    2.509255
     97          1           0       -0.563082    2.966386    2.625860
     98          1           0       -4.639448    0.069190    1.402038
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0814894      0.0289698      0.0233685
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3660.5960539029 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258466045854     A.U. after   17 cycles
             Convg  =    0.7490D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000008369   -0.000018976    0.000085785
      2        6           0.000056714    0.000116384    0.000019663
      3        6           0.000002556   -0.000055912    0.000029083
      4        6           0.000005279   -0.000081148   -0.000071454
      5        7           0.000132932    0.000296370   -0.000002831
      6        6           0.000096051   -0.000088544    0.000182632
      7        6           0.000056148    0.000256778    0.000121462
      8        7          -0.000216939   -0.000021287   -0.000409484
      9        6           0.000032853   -0.000085590    0.000003991
     10        6           0.000052345   -0.000106418   -0.000446480
     11        8           0.000070821    0.000041226    0.000125987
     12        7          -0.000095746   -0.000318620    0.000094863
     13        6          -0.000042154    0.000170542    0.000054381
     14        6           0.000115876   -0.000774449   -0.000456998
     15        8          -0.000104256   -0.000205086    0.000004351
     16        7          -0.000068113    0.000235372   -0.000153799
     17        6          -0.000194718    0.000220348    0.000305102
     18        6           0.000119333   -0.000100056    0.000180755
     19        6           0.000032686    0.000045376   -0.000017400
     20        6          -0.000024029    0.000034716    0.000068912
     21        6           0.000025433    0.000026215   -0.000017299
     22        6          -0.000040827   -0.000017853   -0.000017346
     23        6          -0.000000197    0.000034652   -0.000009119
     24        6           0.000022330    0.000006343   -0.000078710
     25        6          -0.000053589    0.000528065   -0.000433895
     26        6          -0.000268947    0.000040289   -0.000098032
     27        8          -0.000108351   -0.000086187    0.000285927
     28        6           0.000314543   -0.000188546    0.000246640
     29        6          -0.000356920   -0.000075673   -0.000064020
     30        6           0.000223541    0.000107936    0.000035766
     31        6           0.000002556    0.000058147   -0.000010383
     32        6           0.000025721    0.000001078   -0.000014154
     33        6          -0.000015967    0.000041982    0.000027049
     34        6           0.000052414   -0.000030985   -0.000037651
     35        6          -0.000109256   -0.000037573    0.000057280
     36        7           0.000205610   -0.000047327   -0.000087475
     37        6          -0.000034110   -0.000124120    0.001003847
     38        8          -0.000264676    0.000031482   -0.000216946
     39        8          -0.000336088   -0.000405096   -0.000781292
     40        6           0.000768006    0.000470628    0.000240022
     41        6          -0.000945276    0.000038239   -0.000832515
     42        6           0.000886521   -0.000035593    0.000043552
     43        7          -0.000049269   -0.000339952    0.000769620
     44        6          -0.000325194    0.000477571   -0.000500962
     45       16           0.000534834    0.000239272    0.000592484
     46        6           0.000094983   -0.000247883    0.000080681
     47        6           0.000753934    0.000265396   -0.000136721
     48        6          -0.000737991    0.000276883   -0.000108887
     49        6          -0.000163471   -0.000085449   -0.000174552
     50       16           0.000162375   -0.000077942    0.000191538
     51        1          -0.000005411    0.000027952   -0.000006356
     52        1          -0.000015199   -0.000002685   -0.000009718
     53        1           0.000003311    0.000009528   -0.000034451
     54        1           0.000001734   -0.000011379   -0.000043337
     55        1          -0.000037602   -0.000009354   -0.000023229
     56        1           0.000008171    0.000008250   -0.000014082
     57        1          -0.000016294   -0.000001727   -0.000007440
     58        1           0.000089878    0.000089495    0.000035368
     59        1          -0.000145375   -0.000165300    0.000012153
     60        1           0.000023515    0.000008358    0.000019603
     61        1          -0.000030112    0.000004098    0.000052554
     62        1           0.000055295    0.000045636   -0.000034306
     63        1          -0.000054248    0.000182605    0.000276614
     64        1           0.000103279    0.000037748    0.000006635
     65        1           0.000095329   -0.000026591    0.000039188
     66        1           0.000140201   -0.000124001   -0.000243009
     67        1          -0.000027930   -0.000039925   -0.000010636
     68        1          -0.000035363    0.000026587    0.000067133
     69        1          -0.000027053   -0.000022679   -0.000015814
     70        1          -0.000009951    0.000002194    0.000019731
     71        1           0.000001635    0.000005162    0.000012438
     72        1           0.000000547   -0.000001874    0.000000786
     73        1          -0.000003707   -0.000002004    0.000032842
     74        1           0.000088863   -0.000049053    0.000161073
     75        1          -0.000021884    0.000169093    0.000044248
     76        1          -0.000011366   -0.000072549   -0.000092471
     77        1           0.000132014   -0.000252144    0.000223335
     78        1           0.000134380   -0.000090530   -0.000208822
     79        1           0.000123174   -0.000118088    0.000078715
     80        1           0.000027170   -0.000027453    0.000093034
     81        1          -0.000063767   -0.000057759    0.000016943
     82        1           0.000014824   -0.000005506   -0.000010227
     83        1          -0.000001365   -0.000014543   -0.000015538
     84        1          -0.000017002   -0.000006309    0.000010807
     85        1           0.000035825   -0.000008782    0.000002930
     86        1          -0.000272297    0.000131654   -0.000102420
     87        1          -0.000127966   -0.000235120   -0.000266585
     88        1           0.000045173   -0.000117473    0.000079739
     89        1          -0.000223315    0.000235812   -0.000138567
     90        1          -0.000006265    0.000160442    0.000129246
     91        1           0.000035262   -0.000024592   -0.000114948
     92        1          -0.000009389   -0.000119224   -0.000078742
     93        1          -0.000535405   -0.000219679   -0.000169837
     94        1          -0.000205559   -0.000093275    0.000183639
     95        1          -0.000040027    0.000017153   -0.000129705
     96        1           0.000386605    0.000414188    0.000288435
     97        1           0.000110924   -0.000046401    0.000147564
     98        1           0.000004800   -0.000014979    0.000062519
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001003847 RMS     0.000218639

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.004028374 RMS     0.000428316
 Search for a local minimum.
 Step number  74 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   68   69   70   73   74
                                                     72
 DE=  9.37D-06 DEPred=-1.91D-04 R=-4.89D-02
 Trust test=-4.89D-02 RLast= 1.61D-01 DXMaxT set to 7.82D-02
 Use linear search instead of GDIIS.
 Quartic linear search produced a step of -0.60706.
 Iteration  1 RMS(Cart)=  0.02251715 RMS(Int)=  0.00012303
 Iteration  2 RMS(Cart)=  0.00027529 RMS(Int)=  0.00000042
 Iteration  3 RMS(Cart)=  0.00000004 RMS(Int)=  0.00000042
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.89447   0.00003  -0.00005   0.00000  -0.00005   2.89442
    R2        2.07193   0.00001   0.00001   0.00000   0.00001   2.07194
    R3        2.07381   0.00001   0.00002   0.00000   0.00002   2.07383
    R4        2.07201  -0.00003  -0.00001   0.00000  -0.00001   2.07200
    R5        2.89458   0.00001   0.00010   0.00000   0.00010   2.89468
    R6        2.82754   0.00002   0.00005   0.00000   0.00005   2.82759
    R7        2.13132   0.00001  -0.00005   0.00000  -0.00005   2.13127
    R8        2.07211  -0.00001   0.00001   0.00000   0.00001   2.07212
    R9        2.07349   0.00001  -0.00003   0.00000  -0.00003   2.07346
   R10        2.07201  -0.00001  -0.00008   0.00000  -0.00008   2.07193
   R11        2.47783   0.00004  -0.00024   0.00000  -0.00024   2.47759
   R12        3.37364   0.00012   0.00074   0.00000   0.00074   3.37438
   R13        2.68259   0.00023   0.00016   0.00000   0.00016   2.68276
   R14        2.83983   0.00028   0.00018   0.00000   0.00018   2.84001
   R15        2.58091   0.00006  -0.00007   0.00000  -0.00007   2.58084
   R16        2.80543   0.00043   0.00059   0.00000   0.00059   2.80601
   R17        2.11733  -0.00005  -0.00016   0.00000  -0.00016   2.11717
   R18        2.11832  -0.00016  -0.00041   0.00000  -0.00041   2.11791
   R19        2.81454   0.00001   0.00020   0.00000   0.00020   2.81474
   R20        2.67984   0.00016   0.00033   0.00000   0.00033   2.68016
   R21        2.08306  -0.00001   0.00001   0.00000   0.00001   2.08307
   R22        2.09180  -0.00004  -0.00012   0.00000  -0.00012   2.09168
   R23        2.08322   0.00004   0.00010   0.00000   0.00010   2.08332
   R24        2.31826  -0.00011   0.00002   0.00000   0.00002   2.31828
   R25        2.69737   0.00040   0.00080   0.00000   0.00080   2.69817
   R26        2.79826  -0.00002   0.00036   0.00000   0.00036   2.79862
   R27        1.94592   0.00030  -0.00022   0.00000  -0.00022   1.94570
   R28        2.91640  -0.00003   0.00023   0.00000   0.00023   2.91662
   R29        2.94176  -0.00011  -0.00001   0.00000  -0.00001   2.94174
   R30        2.13666   0.00003   0.00036   0.00000   0.00036   2.13703
   R31        2.31760  -0.00012  -0.00008   0.00000  -0.00008   2.31752
   R32        2.62716  -0.00068  -0.00003   0.00000  -0.00003   2.62713
   R33        2.81421  -0.00020   0.00016   0.00000   0.00016   2.81437
   R34        1.92396   0.00007   0.00015   0.00000   0.00015   1.92410
   R35        2.91865  -0.00019   0.00024   0.00000   0.00024   2.91888
   R36        2.91743   0.00002  -0.00071   0.00000  -0.00071   2.91672
   R37        2.13586  -0.00012  -0.00036   0.00000  -0.00036   2.13551
   R38        2.84182  -0.00011  -0.00025   0.00000  -0.00025   2.84157
   R39        2.10408  -0.00003   0.00002   0.00000   0.00002   2.10411
   R40        2.09790   0.00000   0.00005   0.00000   0.00005   2.09795
   R41        2.65354  -0.00006  -0.00012   0.00000  -0.00012   2.65342
   R42        2.65218  -0.00004   0.00010   0.00000   0.00010   2.65227
   R43        2.64040  -0.00001   0.00009   0.00000   0.00009   2.64049
   R44        2.05990  -0.00003  -0.00001   0.00000  -0.00001   2.05988
   R45        2.64248   0.00002  -0.00011   0.00000  -0.00011   2.64237
   R46        2.05907  -0.00001   0.00001   0.00000   0.00001   2.05907
   R47        2.64271  -0.00002   0.00007   0.00000   0.00007   2.64278
   R48        2.05620   0.00000  -0.00002   0.00000  -0.00002   2.05619
   R49        2.64084  -0.00004  -0.00012   0.00000  -0.00012   2.64073
   R50        2.05849   0.00000   0.00002   0.00000   0.00002   2.05851
   R51        2.05561   0.00001   0.00005   0.00000   0.00005   2.05565
   R52        2.89652   0.00018  -0.00045   0.00000  -0.00045   2.89607
   R53        2.09786   0.00011   0.00050   0.00000   0.00050   2.09836
   R54        2.09454  -0.00002   0.00034   0.00000   0.00034   2.09488
   R55        2.72804   0.00055   0.00018   0.00000   0.00018   2.72822
   R56        2.94335  -0.00018   0.00020   0.00000   0.00020   2.94355
   R57        2.11938  -0.00006  -0.00051   0.00000  -0.00051   2.11886
   R58        1.88041   0.00009  -0.00022   0.00000  -0.00022   1.88019
   R59        2.90493  -0.00015  -0.00033   0.00000  -0.00033   2.90459
   R60        2.82992   0.00022   0.00003   0.00000   0.00003   2.82995
   R61        2.12608  -0.00003   0.00013   0.00000   0.00013   2.12621
   R62        2.84213  -0.00013  -0.00015   0.00000  -0.00015   2.84198
   R63        2.11343  -0.00010  -0.00016   0.00000  -0.00016   2.11328
   R64        2.09946  -0.00006   0.00014   0.00000   0.00014   2.09959
   R65        2.65217   0.00001  -0.00004   0.00000  -0.00004   2.65213
   R66        2.65095   0.00007   0.00000   0.00000   0.00000   2.65095
   R67        2.63917  -0.00003  -0.00009   0.00000  -0.00009   2.63908
   R68        2.06252  -0.00008   0.00001   0.00000   0.00001   2.06253
   R69        2.64404   0.00000   0.00006   0.00000   0.00006   2.64410
   R70        2.05749  -0.00002   0.00003   0.00000   0.00003   2.05753
   R71        2.64196   0.00002  -0.00008   0.00000  -0.00008   2.64188
   R72        2.05508   0.00000  -0.00003   0.00000  -0.00003   2.05505
   R73        2.64176  -0.00004   0.00008   0.00000   0.00008   2.64184
   R74        2.05676   0.00001   0.00000   0.00000   0.00000   2.05675
   R75        2.05353   0.00002   0.00003   0.00000   0.00003   2.05357
   R76        2.63810   0.00035   0.00046   0.00000   0.00046   2.63856
   R77        1.94939  -0.00024   0.00047   0.00000   0.00047   1.94986
   R78        2.30809   0.00023   0.00013   0.00000   0.00013   2.30823
   R79        2.62769  -0.00032  -0.00068   0.00000  -0.00068   2.62701
   R80        2.76487   0.00103   0.00016   0.00000   0.00016   2.76503
   R81        2.79004  -0.00007  -0.00038   0.00000  -0.00038   2.78967
   R82        2.09660  -0.00032   0.00116   0.00000   0.00116   2.09776
   R83        2.09662  -0.00012  -0.00029   0.00000  -0.00029   2.09633
   R84        2.58366   0.00047   0.00014   0.00000   0.00014   2.58380
   R85        3.31115  -0.00062   0.00065   0.00000   0.00065   3.31181
   R86        2.66707  -0.00060  -0.00024   0.00000  -0.00024   2.66682
   R87        2.05018  -0.00016   0.00001   0.00000   0.00001   2.05019
   R88        2.49497   0.00025   0.00034   0.00000   0.00034   2.49531
   R89        3.32515   0.00001  -0.00026   0.00000  -0.00026   3.32489
   R90        2.05382  -0.00013  -0.00016   0.00000  -0.00016   2.05366
   R91        2.88804  -0.00021   0.00006   0.00000   0.00006   2.88810
   R92        2.89543  -0.00057  -0.00018   0.00000  -0.00018   2.89526
   R93        2.12274  -0.00001  -0.00044   0.00000  -0.00044   2.12229
   R94        2.07659  -0.00012  -0.00027   0.00000  -0.00027   2.07632
   R95        2.07788   0.00058   0.00060   0.00000   0.00060   2.07847
   R96        2.07119   0.00019   0.00016   0.00000   0.00016   2.07135
   R97        2.07600  -0.00013  -0.00011   0.00000  -0.00011   2.07590
   R98        2.08460  -0.00050  -0.00051   0.00000  -0.00051   2.08410
   R99        2.06986  -0.00001   0.00012   0.00000   0.00012   2.06998
   R100       3.27949   0.00017   0.00047   0.00000   0.00047   3.27996
   R101       2.03779   0.00002  -0.00013   0.00000  -0.00013   2.03766
    A1        1.93476   0.00000   0.00001   0.00000   0.00001   1.93477
    A2        1.94462  -0.00002   0.00001   0.00000   0.00001   1.94463
    A3        1.96160  -0.00002   0.00019   0.00000   0.00019   1.96179
    A4        1.87408   0.00000  -0.00006   0.00000  -0.00006   1.87401
    A5        1.86963   0.00002  -0.00015   0.00000  -0.00015   1.86948
    A6        1.87495   0.00002  -0.00002   0.00000  -0.00002   1.87493
    A7        1.95107   0.00007   0.00015   0.00000   0.00015   1.95122
    A8        1.92685  -0.00001   0.00032   0.00000   0.00032   1.92717
    A9        1.88839  -0.00001  -0.00013   0.00000  -0.00013   1.88826
   A10        1.92694  -0.00007  -0.00041   0.00000  -0.00041   1.92653
   A11        1.88934   0.00000   0.00002   0.00000   0.00002   1.88936
   A12        1.87899   0.00002   0.00005   0.00000   0.00005   1.87904
   A13        1.96083  -0.00001  -0.00006   0.00000  -0.00006   1.96077
   A14        1.94535   0.00000   0.00002   0.00000   0.00002   1.94537
   A15        1.93472   0.00000   0.00000   0.00000   0.00000   1.93472
   A16        1.87497   0.00000  -0.00006   0.00000  -0.00006   1.87492
   A17        1.86954   0.00002   0.00014   0.00000   0.00014   1.86968
   A18        1.87423  -0.00001  -0.00004   0.00000  -0.00004   1.87419
   A19        2.21012  -0.00005   0.00045   0.00000   0.00045   2.21056
   A20        2.11707  -0.00003  -0.00059   0.00000  -0.00059   2.11648
   A21        1.95599   0.00008   0.00015   0.00000   0.00015   1.95615
   A22        1.96178  -0.00008  -0.00011   0.00000  -0.00011   1.96167
   A23        2.05135   0.00004   0.00081   0.00000   0.00081   2.05216
   A24        2.01075   0.00002   0.00022   0.00000   0.00022   2.01098
   A25        2.22107  -0.00006  -0.00103   0.00000  -0.00103   2.22004
   A26        1.97721   0.00018   0.00025   0.00000   0.00025   1.97746
   A27        1.92370  -0.00012   0.00029   0.00000   0.00029   1.92400
   A28        1.92012   0.00005  -0.00020   0.00000  -0.00020   1.91993
   A29        1.92052   0.00004  -0.00048   0.00000  -0.00048   1.92004
   A30        1.88082  -0.00013  -0.00043   0.00000  -0.00043   1.88039
   A31        1.83567  -0.00004   0.00058   0.00000   0.00058   1.83625
   A32        1.98884  -0.00008   0.00005   0.00000   0.00005   1.98888
   A33        2.11663   0.00014  -0.00086   0.00000  -0.00086   2.11577
   A34        2.01129  -0.00007  -0.00040   0.00000  -0.00040   2.01089
   A35        1.89523  -0.00001  -0.00020   0.00000  -0.00020   1.89503
   A36        1.92556  -0.00008   0.00004   0.00000   0.00004   1.92560
   A37        1.96484   0.00010   0.00033   0.00000   0.00033   1.96516
   A38        1.88948   0.00003   0.00014   0.00000   0.00014   1.88962
   A39        1.89862  -0.00005  -0.00048   0.00000  -0.00048   1.89815
   A40        1.88858   0.00001   0.00016   0.00000   0.00016   1.88874
   A41        2.12904  -0.00008   0.00024   0.00000   0.00024   2.12928
   A42        2.05194   0.00021  -0.00022   0.00000  -0.00022   2.05172
   A43        2.10142  -0.00012   0.00002   0.00000   0.00002   2.10144
   A44        2.02349  -0.00025  -0.00062   0.00000  -0.00062   2.02287
   A45        2.06372   0.00014  -0.00011   0.00000  -0.00011   2.06362
   A46        1.98860   0.00011  -0.00014   0.00000  -0.00013   1.98846
   A47        1.92565   0.00054   0.00044   0.00000   0.00044   1.92608
   A48        1.90459  -0.00009  -0.00003   0.00000  -0.00003   1.90456
   A49        1.87293  -0.00022  -0.00017   0.00000  -0.00017   1.87276
   A50        1.94495  -0.00063  -0.00020   0.00000  -0.00020   1.94475
   A51        1.91137   0.00001  -0.00006   0.00000  -0.00006   1.91131
   A52        1.90280   0.00041   0.00002   0.00000   0.00002   1.90282
   A53        2.15660   0.00007   0.00045   0.00000   0.00045   2.15705
   A54        2.01328   0.00022  -0.00026   0.00000  -0.00026   2.01303
   A55        2.11306  -0.00029  -0.00024   0.00000  -0.00024   2.11282
   A56        2.12403  -0.00001  -0.00031   0.00000  -0.00030   2.12373
   A57        2.12421  -0.00008   0.00020   0.00000   0.00020   2.12441
   A58        2.03484   0.00009  -0.00002   0.00000  -0.00002   2.03482
   A59        1.92012  -0.00003  -0.00003   0.00000  -0.00003   1.92010
   A60        1.91968   0.00018  -0.00011   0.00000  -0.00011   1.91957
   A61        1.87820   0.00002   0.00005   0.00000   0.00005   1.87825
   A62        1.96319  -0.00057  -0.00009   0.00000  -0.00009   1.96310
   A63        1.88646  -0.00006  -0.00059   0.00000  -0.00059   1.88586
   A64        1.89376   0.00049   0.00078   0.00000   0.00078   1.89454
   A65        1.99557   0.00005   0.00034   0.00000   0.00034   1.99590
   A66        1.89455   0.00001  -0.00034   0.00000  -0.00034   1.89421
   A67        1.90067  -0.00007  -0.00019   0.00000  -0.00019   1.90048
   A68        1.91845  -0.00003   0.00001   0.00000   0.00001   1.91845
   A69        1.92247   0.00002   0.00015   0.00000   0.00015   1.92261
   A70        1.82406   0.00002   0.00001   0.00000   0.00001   1.82408
   A71        2.09383   0.00001   0.00002   0.00000   0.00002   2.09385
   A72        2.10394  -0.00004  -0.00005   0.00000  -0.00005   2.10389
   A73        2.08538   0.00002   0.00003   0.00000   0.00003   2.08542
   A74        2.09687  -0.00001  -0.00003   0.00000  -0.00003   2.09684
   A75        2.09731   0.00000   0.00011   0.00000   0.00011   2.09742
   A76        2.08890   0.00001  -0.00008   0.00000  -0.00008   2.08882
   A77        2.09865  -0.00001   0.00001   0.00000   0.00001   2.09866
   A78        2.09053   0.00001  -0.00007   0.00000  -0.00007   2.09046
   A79        2.09399   0.00000   0.00006   0.00000   0.00006   2.09405
   A80        2.08982   0.00000   0.00001   0.00000   0.00001   2.08983
   A81        2.09678   0.00000   0.00009   0.00000   0.00009   2.09687
   A82        2.09657   0.00000  -0.00010   0.00000  -0.00010   2.09647
   A83        2.09918   0.00000   0.00000   0.00000   0.00000   2.09918
   A84        2.09292   0.00000  -0.00004   0.00000  -0.00004   2.09288
   A85        2.09108   0.00000   0.00004   0.00000   0.00004   2.09112
   A86        2.09640   0.00000  -0.00002   0.00000  -0.00002   2.09638
   A87        2.09748   0.00001  -0.00007   0.00000  -0.00007   2.09741
   A88        2.08928  -0.00001   0.00008   0.00000   0.00008   2.08936
   A89        1.93931   0.00285   0.00104   0.00000   0.00104   1.94035
   A90        1.93530  -0.00103   0.00018   0.00000   0.00018   1.93548
   A91        1.90849  -0.00066  -0.00017   0.00000  -0.00017   1.90833
   A92        1.90755  -0.00092  -0.00050   0.00000  -0.00050   1.90706
   A93        1.93805  -0.00095  -0.00038   0.00000  -0.00038   1.93767
   A94        1.83253   0.00053  -0.00026   0.00000  -0.00026   1.83227
   A95        1.90159   0.00046   0.00095   0.00000   0.00095   1.90254
   A96        2.01368  -0.00137   0.00004   0.00000   0.00004   2.01372
   A97        1.93881   0.00038   0.00027   0.00000   0.00027   1.93908
   A98        1.78312  -0.00022  -0.00213   0.00000  -0.00213   1.78099
   A99        1.89285  -0.00008   0.00035   0.00000   0.00035   1.89320
   A100       1.92439   0.00083   0.00039   0.00000   0.00039   1.92478
   A101       1.92369   0.00063   0.00127   0.00000   0.00127   1.92496
   A102       1.94804   0.00000   0.00033   0.00000   0.00033   1.94837
   A103       1.88891   0.00121  -0.00137   0.00000  -0.00137   1.88754
   A104       1.90753  -0.00068  -0.00019   0.00000  -0.00019   1.90735
   A105       1.95483  -0.00057   0.00148   0.00000   0.00148   1.95630
   A106       1.91880   0.00026  -0.00050   0.00000  -0.00050   1.91830
   A107       1.84224  -0.00023   0.00021   0.00000   0.00021   1.84245
   A108       1.94907  -0.00002  -0.00054   0.00000  -0.00054   1.94852
   A109       1.92224  -0.00009   0.00038   0.00000   0.00038   1.92262
   A110       1.91113  -0.00006  -0.00010   0.00000  -0.00010   1.91103
   A111       1.92150   0.00008   0.00008   0.00000   0.00008   1.92158
   A112       1.92471   0.00006   0.00058   0.00000   0.00058   1.92529
   A113       1.83168   0.00003  -0.00037   0.00000  -0.00037   1.83131
   A114       2.09211   0.00008   0.00016   0.00000   0.00016   2.09227
   A115       2.10100  -0.00004  -0.00014   0.00000  -0.00014   2.10085
   A116       2.09007  -0.00003  -0.00002   0.00000  -0.00002   2.09005
   A117       2.09461   0.00000  -0.00001   0.00000  -0.00001   2.09460
   A118       2.08806   0.00003  -0.00006   0.00000  -0.00006   2.08800
   A119       2.10050  -0.00004   0.00007   0.00000   0.00007   2.10057
   A120       2.09808   0.00002   0.00006   0.00000   0.00006   2.09814
   A121       2.09154  -0.00002   0.00001   0.00000   0.00001   2.09155
   A122       2.09356   0.00000  -0.00007   0.00000  -0.00007   2.09350
   A123       2.09132   0.00000  -0.00002   0.00000  -0.00002   2.09130
   A124       2.09537   0.00002  -0.00005   0.00000  -0.00005   2.09532
   A125       2.09649  -0.00002   0.00007   0.00000   0.00007   2.09656
   A126       2.09876  -0.00002  -0.00005   0.00000  -0.00005   2.09872
   A127       2.09345  -0.00001   0.00009   0.00000   0.00009   2.09354
   A128       2.09098   0.00002  -0.00005   0.00000  -0.00005   2.09093
   A129       2.09352   0.00003   0.00004   0.00000   0.00004   2.09356
   A130       2.09937  -0.00004   0.00015   0.00000   0.00015   2.09952
   A131       2.09029   0.00001  -0.00019   0.00000  -0.00019   2.09010
   A132       2.06941   0.00275   0.00011   0.00000   0.00011   2.06951
   A133       1.97111  -0.00101  -0.00154   0.00000  -0.00153   1.96957
   A134       2.01999  -0.00081  -0.00166   0.00000  -0.00165   2.01834
   A135       2.25096   0.00029   0.00027   0.00000   0.00027   2.25123
   A136       1.90764  -0.00118  -0.00036   0.00000  -0.00036   1.90727
   A137       2.12337   0.00083   0.00008   0.00000   0.00008   2.12344
   A138       2.01456   0.00403   0.00175   0.00000   0.00175   2.01631
   A139       1.92323   0.00371   0.00066   0.00000   0.00066   1.92389
   A140       1.76048  -0.00151  -0.00084   0.00000  -0.00084   1.75964
   A141       1.89107  -0.00109  -0.00079   0.00000  -0.00079   1.89029
   A142       1.98245  -0.00075  -0.00047   0.00000  -0.00047   1.98198
   A143       1.96597  -0.00063   0.00078   0.00000   0.00078   1.96675
   A144       1.92811   0.00025   0.00046   0.00000   0.00046   1.92857
   A145       2.28030  -0.00131  -0.00052   0.00000  -0.00052   2.27977
   A146       2.08866   0.00138   0.00089   0.00000   0.00089   2.08955
   A147       1.91412  -0.00007  -0.00037   0.00000  -0.00037   1.91375
   A148       2.01283   0.00012   0.00039   0.00000   0.00039   2.01322
   A149       2.22084  -0.00016  -0.00027   0.00000  -0.00027   2.22057
   A150       2.04952   0.00004  -0.00014   0.00000  -0.00014   2.04938
   A151       1.94646  -0.00008  -0.00024   0.00000  -0.00024   1.94621
   A152       1.98241  -0.00006   0.00017   0.00000   0.00017   1.98258
   A153       2.18298  -0.00006  -0.00020   0.00000  -0.00020   2.18278
   A154       2.11717   0.00012  -0.00006   0.00000  -0.00006   2.11711
   A155       1.56872   0.00009   0.00000   0.00000   0.00000   1.56872
   A156       1.96777  -0.00024  -0.00032   0.00000  -0.00032   1.96745
   A157       1.92499   0.00040   0.00028   0.00000   0.00028   1.92527
   A158       1.85676  -0.00006   0.00005   0.00000   0.00005   1.85681
   A159       1.93387  -0.00041  -0.00054   0.00000  -0.00054   1.93333
   A160       1.88904   0.00021   0.00090   0.00000   0.00090   1.88994
   A161       1.88777   0.00012  -0.00034   0.00000  -0.00034   1.88743
   A162       1.95656  -0.00005   0.00034   0.00000   0.00034   1.95691
   A163       1.96890  -0.00022  -0.00005   0.00000  -0.00005   1.96885
   A164       1.94057   0.00022   0.00098   0.00000   0.00098   1.94155
   A165       1.85493   0.00012   0.00023   0.00000   0.00023   1.85515
   A166       1.86527   0.00002  -0.00024   0.00000  -0.00024   1.86503
   A167       1.87144  -0.00009  -0.00137   0.00000  -0.00137   1.87008
   A168       1.93057   0.00009  -0.00024   0.00000  -0.00024   1.93033
   A169       1.96328  -0.00049  -0.00032   0.00000  -0.00032   1.96296
   A170       1.96129   0.00015   0.00014   0.00000   0.00014   1.96143
   A171       1.85698   0.00009   0.00050   0.00000   0.00050   1.85748
   A172       1.86447  -0.00010  -0.00051   0.00000  -0.00051   1.86396
   A173       1.88146   0.00028   0.00045   0.00000   0.00045   1.88191
   A174       1.91633   0.00000  -0.00002   0.00000  -0.00002   1.91631
   A175       2.23671   0.00004   0.00001   0.00000   0.00001   2.23673
   A176       2.13008  -0.00005   0.00001   0.00000   0.00001   2.13009
   A177       1.57991  -0.00003  -0.00024   0.00000  -0.00024   1.57967
    D1        1.08078   0.00004  -0.00109   0.00000  -0.00109   1.07969
    D2       -3.05011  -0.00001  -0.00128   0.00000  -0.00128  -3.05139
    D3       -0.99802   0.00001  -0.00112   0.00000  -0.00112  -0.99914
    D4       -3.11639   0.00004  -0.00115   0.00000  -0.00115  -3.11754
    D5       -0.96409  -0.00001  -0.00135   0.00000  -0.00135  -0.96544
    D6        1.08800   0.00000  -0.00119   0.00000  -0.00119   1.08681
    D7       -1.01093   0.00003  -0.00103   0.00000  -0.00103  -1.01196
    D8        1.14137  -0.00002  -0.00123   0.00000  -0.00123   1.14014
    D9       -3.08973   0.00000  -0.00107   0.00000  -0.00107  -3.09080
   D10        0.99459   0.00000   0.00074   0.00000   0.00074   0.99533
   D11        3.10006  -0.00001   0.00064   0.00000   0.00064   3.10070
   D12       -1.09646  -0.00002   0.00060   0.00000   0.00060  -1.09586
   D13       -1.15765   0.00002   0.00052   0.00000   0.00052  -1.15713
   D14        0.94782   0.00001   0.00042   0.00000   0.00042   0.94823
   D15        3.03449   0.00000   0.00038   0.00000   0.00038   3.03486
   D16        3.07283   0.00003   0.00068   0.00000   0.00068   3.07351
   D17       -1.10489   0.00002   0.00058   0.00000   0.00058  -1.10431
   D18        0.98178   0.00001   0.00054   0.00000   0.00054   0.98232
   D19        2.06768  -0.00004   0.00430   0.00000   0.00430   2.07199
   D20       -1.07708  -0.00001   0.00482   0.00000   0.00482  -1.07226
   D21       -2.04926  -0.00001   0.00443   0.00000   0.00443  -2.04483
   D22        1.08917   0.00002   0.00495   0.00000   0.00495   1.09412
   D23        0.00981  -0.00003   0.00426   0.00000   0.00426   0.01407
   D24       -3.13495  -0.00001   0.00477   0.00000   0.00477  -3.13017
   D25       -3.13942   0.00000  -0.00041   0.00000  -0.00041  -3.13983
   D26        0.00509  -0.00003  -0.00089   0.00000  -0.00089   0.00420
   D27        3.14036   0.00001   0.00055   0.00000   0.00055   3.14091
   D28       -0.00397   0.00003   0.00100   0.00000   0.00100  -0.00297
   D29        3.13284  -0.00001   0.00072   0.00000   0.00071   3.13355
   D30       -0.00399   0.00000   0.00026   0.00000   0.00026  -0.00373
   D31        1.87873  -0.00001  -0.02251   0.00000  -0.02251   1.85622
   D32       -2.24404   0.00008  -0.02274   0.00000  -0.02274  -2.26677
   D33       -0.22755   0.00000  -0.02198   0.00000  -0.02198  -0.24953
   D34       -1.26828  -0.00003  -0.02199   0.00000  -0.02199  -1.29027
   D35        0.89214   0.00007  -0.02222   0.00000  -0.02222   0.86992
   D36        2.90862  -0.00002  -0.02146   0.00000  -0.02146   2.88716
   D37        0.00085   0.00003   0.00050   0.00000   0.00050   0.00136
   D38       -3.12851  -0.00003   0.00005   0.00000   0.00005  -3.12846
   D39       -3.13543   0.00004  -0.00001   0.00000  -0.00001  -3.13543
   D40        0.01839  -0.00002  -0.00046   0.00000  -0.00046   0.01793
   D41       -1.25003   0.00004  -0.00142   0.00000  -0.00142  -1.25144
   D42        1.27469  -0.00002  -0.00352   0.00000  -0.00352   1.27117
   D43        2.87100   0.00003  -0.00161   0.00000  -0.00161   2.86939
   D44       -0.88746  -0.00003  -0.00372   0.00000  -0.00372  -0.89118
   D45        0.87836   0.00013  -0.00181   0.00000  -0.00181   0.87655
   D46       -2.88010   0.00007  -0.00392   0.00000  -0.00392  -2.88402
   D47       -1.20049   0.00001  -0.00208   0.00000  -0.00208  -1.20258
   D48        3.01454   0.00002  -0.00215   0.00000  -0.00215   3.01238
   D49        0.90286   0.00000  -0.00261   0.00000  -0.00261   0.90025
   D50        2.51941  -0.00001   0.00007   0.00000   0.00007   2.51948
   D51        0.45125   0.00000   0.00000   0.00000   0.00000   0.45126
   D52       -1.66042  -0.00002  -0.00045   0.00000  -0.00045  -1.66087
   D53       -2.78111   0.00011   0.00207   0.00000   0.00207  -2.77904
   D54        0.40278   0.00007   0.00118   0.00000   0.00118   0.40397
   D55       -0.26373   0.00005   0.00008   0.00000   0.00008  -0.26365
   D56        2.92016   0.00001  -0.00080   0.00000  -0.00080   2.91935
   D57        2.84694   0.00004   0.00159   0.00000   0.00159   2.84854
   D58        0.39192   0.00000   0.00288   0.00000   0.00288   0.39480
   D59       -0.25305   0.00000   0.00072   0.00000   0.00072  -0.25233
   D60       -2.70808  -0.00004   0.00201   0.00000   0.00201  -2.70607
   D61       -1.43703  -0.00024  -0.00164   0.00000  -0.00164  -1.43866
   D62        2.70371   0.00026  -0.00165   0.00000  -0.00165   2.70205
   D63        0.64427  -0.00006  -0.00157   0.00000  -0.00157   0.64270
   D64        1.04727  -0.00018  -0.00285   0.00000  -0.00285   1.04443
   D65       -1.09518   0.00032  -0.00286   0.00000  -0.00286  -1.09804
   D66        3.12857   0.00000  -0.00278   0.00000  -0.00278   3.12579
   D67       -0.53891  -0.00026  -0.00146   0.00000  -0.00146  -0.54038
   D68        2.62608  -0.00025   0.00087   0.00000   0.00087   2.62694
   D69        1.57974  -0.00043  -0.00134   0.00000  -0.00134   1.57840
   D70       -1.53846  -0.00042   0.00100   0.00000   0.00100  -1.53746
   D71       -2.59670  -0.00032  -0.00148   0.00000  -0.00148  -2.59819
   D72        0.56828  -0.00031   0.00085   0.00000   0.00085   0.56913
   D73        1.23403   0.00012   0.00558   0.00000   0.00558   1.23961
   D74       -2.87719  -0.00028   0.00485   0.00000   0.00485  -2.87234
   D75       -0.83389   0.00003   0.00462   0.00000   0.00462  -0.82927
   D76       -0.89682  -0.00009   0.00518   0.00000   0.00518  -0.89165
   D77        1.27514  -0.00049   0.00445   0.00000   0.00445   1.27959
   D78       -2.96475  -0.00017   0.00422   0.00000   0.00422  -2.96053
   D79       -3.00858   0.00003   0.00537   0.00000   0.00537  -3.00321
   D80       -0.83662  -0.00037   0.00464   0.00000   0.00464  -0.83197
   D81        1.20668  -0.00005   0.00442   0.00000   0.00442   1.21109
   D82        3.13342  -0.00037   0.00007   0.00000   0.00007   3.13349
   D83       -0.02451  -0.00046  -0.00722   0.00000  -0.00722  -0.03173
   D84        0.01459  -0.00037   0.00233   0.00000   0.00233   0.01691
   D85        3.13984  -0.00045  -0.00496   0.00000  -0.00496   3.13488
   D86        2.40833  -0.00023  -0.00637   0.00000  -0.00637   2.40197
   D87       -1.70293  -0.00085  -0.00657   0.00000  -0.00657  -1.70950
   D88        0.35696  -0.00015  -0.00567   0.00000  -0.00567   0.35129
   D89       -0.71771  -0.00014   0.00056   0.00000   0.00056  -0.71715
   D90        1.45421  -0.00076   0.00035   0.00000   0.00035   1.45457
   D91       -2.76909  -0.00007   0.00126   0.00000   0.00126  -2.76783
   D92        1.03191  -0.00004  -0.00016   0.00000  -0.00016   1.03175
   D93       -1.11670  -0.00005  -0.00014   0.00000  -0.00014  -1.11683
   D94       -3.09275  -0.00004   0.00012   0.00000   0.00012  -3.09263
   D95       -1.11468   0.00014   0.00006   0.00000   0.00006  -1.11462
   D96        3.01990   0.00013   0.00008   0.00000   0.00008   3.01998
   D97        1.04385   0.00014   0.00034   0.00000   0.00034   1.04419
   D98        3.07815  -0.00008  -0.00046   0.00000  -0.00046   3.07769
   D99        0.92955  -0.00009  -0.00044   0.00000  -0.00044   0.92911
   D100      -1.04651  -0.00008  -0.00017   0.00000  -0.00017  -1.04668
   D101       1.14728   0.00019  -0.00552   0.00000  -0.00552   1.14176
   D102      -0.97794   0.00012  -0.00573   0.00000  -0.00573  -0.98367
   D103      -2.99047   0.00045  -0.00542   0.00000  -0.00542  -2.99589
   D104      -2.98907  -0.00011  -0.00570   0.00000  -0.00570  -2.99477
   D105       1.16889  -0.00019  -0.00590   0.00000  -0.00590   1.16299
   D106      -0.84364   0.00014  -0.00559   0.00000  -0.00559  -0.84923
   D107      -0.90296  -0.00021  -0.00598   0.00000  -0.00598  -0.90893
   D108      -3.02818  -0.00029  -0.00618   0.00000  -0.00618  -3.03436
   D109       1.24248   0.00004  -0.00587   0.00000  -0.00587   1.23660
   D110      -1.64768   0.00000   0.00065   0.00000   0.00065  -1.64703
   D111       1.50159   0.00000   0.00058   0.00000   0.00058   1.50216
   D112       0.48796   0.00003   0.00044   0.00000   0.00044   0.48840
   D113      -2.64597   0.00003   0.00037   0.00000   0.00037  -2.64559
   D114       2.48873   0.00005   0.00054   0.00000   0.00054   2.48927
   D115      -0.64519   0.00005   0.00047   0.00000   0.00047  -0.64472
   D116       3.13978   0.00000  -0.00010   0.00000  -0.00010   3.13967
   D117      -0.01718  -0.00001  -0.00020   0.00000  -0.00020  -0.01738
   D118      -0.00941   0.00000  -0.00004   0.00000  -0.00004  -0.00944
   D119       3.11682  -0.00001  -0.00013   0.00000  -0.00013   3.11669
   D120      -3.13871   0.00000   0.00000   0.00000   0.00000  -3.13871
   D121       0.01099  -0.00002   0.00000   0.00000   0.00000   0.01099
   D122       0.01052   0.00000  -0.00007   0.00000  -0.00007   0.01045
   D123      -3.12297  -0.00002  -0.00007   0.00000  -0.00007  -3.12303
   D124       0.00104   0.00000   0.00011   0.00000   0.00011   0.00116
   D125       3.13735   0.00001   0.00023   0.00000   0.00023   3.13758
   D126      -3.12526   0.00001   0.00020   0.00000   0.00020  -3.12505
   D127       0.01105   0.00002   0.00032   0.00000   0.00032   0.01137
   D128       0.00625   0.00000  -0.00008   0.00000  -0.00008   0.00617
   D129       3.14128   0.00001   0.00001   0.00000   0.00001   3.14129
   D130      -3.13005  -0.00001  -0.00020   0.00000  -0.00020  -3.13025
   D131       0.00498   0.00000  -0.00011   0.00000  -0.00011   0.00487
   D132      -0.00513   0.00000  -0.00003   0.00000  -0.00003  -0.00516
   D133       3.13334   0.00001  -0.00001   0.00000  -0.00001   3.13333
   D134      -3.14016  -0.00001  -0.00012   0.00000  -0.00012  -3.14028
   D135      -0.00169   0.00000  -0.00010   0.00000  -0.00010  -0.00179
   D136      -0.00329   0.00000   0.00010   0.00000   0.00010  -0.00318
   D137       3.13024   0.00002   0.00010   0.00000   0.00010   3.13034
   D138       3.14143   0.00000   0.00009   0.00000   0.00009   3.14151
   D139      -0.00823   0.00001   0.00008   0.00000   0.00008  -0.00815
   D140      -1.84193  -0.00006  -0.00307   0.00000  -0.00307  -1.84500
   D141       2.44857   0.00071  -0.00107   0.00000  -0.00107   2.44750
   D142       0.24220   0.00037  -0.00187   0.00000  -0.00187   0.24033
   D143       0.29939  -0.00009  -0.00249   0.00000  -0.00249   0.29690
   D144      -1.69330   0.00068  -0.00049   0.00000  -0.00049  -1.69379
   D145       2.38352   0.00034  -0.00129   0.00000  -0.00129   2.38223
   D146       2.31293  -0.00054  -0.00331   0.00000  -0.00331   2.30962
   D147       0.32024   0.00024  -0.00131   0.00000  -0.00131   0.31893
   D148      -1.88612  -0.00011  -0.00211   0.00000  -0.00211  -1.88824
   D149       1.27043   0.00066  -0.02143   0.00000  -0.02143   1.24900
   D150      -2.87443  -0.00083  -0.02209   0.00000  -0.02209  -2.89652
   D151      -0.84206  -0.00002  -0.02253   0.00000  -0.02253  -0.86459
   D152      -0.98520  -0.00009   0.00508   0.00000   0.00508  -0.98012
   D153       3.13912  -0.00021   0.00395   0.00000   0.00395  -3.14011
   D154       1.14108  -0.00023   0.00453   0.00000   0.00453   1.14561
   D155      -3.04526   0.00018   0.00528   0.00000   0.00529  -3.03998
   D156       1.07905   0.00005   0.00416   0.00000   0.00416   1.08321
   D157      -0.91898   0.00004   0.00474   0.00000   0.00474  -0.91424
   D158       1.22849   0.00004   0.00581   0.00000   0.00581   1.23430
   D159      -0.93038  -0.00008   0.00469   0.00000   0.00469  -0.92570
   D160      -2.92842  -0.00010   0.00527   0.00000   0.00527  -2.92315
   D161       2.98286  -0.00058  -0.00634   0.00000  -0.00634   2.97652
   D162      -1.15972  -0.00055  -0.00634   0.00000  -0.00634  -1.16606
   D163       0.84594  -0.00060  -0.00664   0.00000  -0.00664   0.83930
   D164      -1.17920   0.00058  -0.00682   0.00000  -0.00682  -1.18602
   D165       0.96141   0.00060  -0.00683   0.00000  -0.00683   0.95458
   D166       2.96707   0.00056  -0.00712   0.00000  -0.00712   2.95995
   D167       0.86310   0.00010  -0.00598   0.00000  -0.00598   0.85712
   D168       3.00370   0.00013  -0.00598   0.00000  -0.00598   2.99773
   D169      -1.27382   0.00008  -0.00627   0.00000  -0.00627  -1.28009
   D170       1.14089   0.00105   0.00244   0.00000   0.00244   1.14334
   D171      -1.30452   0.00021   0.00724   0.00000   0.00724  -1.29728
   D172      -1.01389   0.00058   0.00202   0.00000   0.00202  -1.01187
   D173       2.82389  -0.00026   0.00681   0.00000   0.00681   2.83070
   D174      -3.10167   0.00072   0.00168   0.00000   0.00168  -3.09999
   D175       0.73611  -0.00011   0.00647   0.00000   0.00647   0.74258
   D176       1.66362   0.00002  -0.00178   0.00000  -0.00178   1.66184
   D177      -1.48100   0.00002  -0.00161   0.00000  -0.00161  -1.48261
   D178      -0.47742   0.00009  -0.00195   0.00000  -0.00195  -0.47937
   D179       2.66116   0.00009  -0.00178   0.00000  -0.00178   2.65937
   D180      -2.49045  -0.00003  -0.00188   0.00000  -0.00188  -2.49233
   D181       0.64812  -0.00003  -0.00171   0.00000  -0.00171   0.64641
   D182       3.13678  -0.00002   0.00018   0.00000   0.00018   3.13697
   D183      -0.01162  -0.00001   0.00036   0.00000   0.00036  -0.01127
   D184      -0.00181  -0.00001   0.00002   0.00000   0.00002  -0.00179
   D185       3.13297  -0.00001   0.00019   0.00000   0.00019   3.13316
   D186      -3.13629   0.00001  -0.00018   0.00000  -0.00018  -3.13646
   D187       0.00588   0.00001  -0.00019   0.00000  -0.00019   0.00569
   D188       0.00229   0.00001  -0.00001   0.00000  -0.00001   0.00228
   D189      -3.13873   0.00001  -0.00002   0.00000  -0.00002  -3.13875
   D190      -0.00013   0.00001  -0.00002   0.00000  -0.00002  -0.00015
   D191       3.14042   0.00001   0.00001   0.00000   0.00001   3.14043
   D192      -3.13486   0.00000  -0.00019   0.00000  -0.00019  -3.13505
   D193       0.00569   0.00000  -0.00016   0.00000  -0.00016   0.00553
   D194       0.00159   0.00000   0.00001   0.00000   0.00001   0.00160
   D195      -3.14100   0.00000   0.00007   0.00000   0.00007  -3.14093
   D196      -3.13896   0.00000  -0.00002   0.00000  -0.00002  -3.13898
   D197       0.00163   0.00000   0.00004   0.00000   0.00004   0.00167
   D198      -0.00110  -0.00001   0.00000   0.00000   0.00000  -0.00110
   D199       3.14040  -0.00001   0.00000   0.00000   0.00000   3.14040
   D200       3.14148  -0.00001  -0.00006   0.00000  -0.00006   3.14143
   D201      -0.00020  -0.00001  -0.00005   0.00000  -0.00005  -0.00025
   D202      -0.00084   0.00000   0.00000   0.00000   0.00000  -0.00084
   D203       3.14018   0.00000   0.00001   0.00000   0.00001   3.14020
   D204       3.14085   0.00000   0.00000   0.00000   0.00000   3.14084
   D205      -0.00132   0.00000   0.00001   0.00000   0.00001  -0.00131
   D206       0.55948   0.00020   0.00615   0.00000   0.00615   0.56563
   D207      -2.63537  -0.00106   0.00578   0.00000   0.00578  -2.62958
   D208       2.98605   0.00103   0.00129   0.00000   0.00129   2.98734
   D209      -0.20880  -0.00023   0.00093   0.00000   0.00093  -0.20787
   D210       3.08835   0.00216   0.00187   0.00000   0.00187   3.09022
   D211      -0.10189   0.00099   0.00155   0.00000   0.00155  -0.10034
   D212      -1.14903  -0.00046  -0.00304   0.00000  -0.00304  -1.15207
   D213       3.03429  -0.00041  -0.00233   0.00000  -0.00233   3.03195
   D214       1.00910   0.00041  -0.00216   0.00000  -0.00216   1.00694
   D215      -2.04599   0.00024  -0.00905   0.00000  -0.00905  -2.05504
   D216       1.07811   0.00058  -0.00905   0.00000  -0.00905   1.06906
   D217      -0.08562   0.00026  -0.00995   0.00000  -0.00995  -0.09558
   D218       3.03847   0.00060  -0.00995   0.00000  -0.00995   3.02852
   D219       2.12321  -0.00056  -0.00904   0.00000  -0.00904   2.11417
   D220      -1.03588  -0.00022  -0.00904   0.00000  -0.00904  -1.04492
   D221      -3.14060   0.00041   0.00045   0.00000   0.00045  -3.14015
   D222      -0.00154   0.00010  -0.00375   0.00000  -0.00375  -0.00529
   D223       0.01713   0.00008   0.00045   0.00000   0.00045   0.01758
   D224      -3.12699  -0.00022  -0.00376   0.00000  -0.00376  -3.13075
   D225       3.13681  -0.00045  -0.00144   0.00000  -0.00144   3.13537
   D226      -0.01888  -0.00019  -0.00145   0.00000  -0.00145  -0.02032
   D227      -0.00419   0.00014   0.00126   0.00000   0.00126  -0.00293
   D228       3.13967   0.00041   0.00504   0.00000   0.00504  -3.13848
   D229      -0.01110  -0.00029  -0.00240   0.00000  -0.00240  -0.01350
   D230      -3.11483  -0.00011   0.00009   0.00000   0.00009  -3.11474
   D231       0.01760   0.00029   0.00227   0.00000   0.00227   0.01986
   D232       3.12291   0.00012  -0.00011   0.00000  -0.00011   3.12280
   D233      -0.94729   0.00010   0.01687   0.00000   0.01687  -0.93042
   D234       1.14598   0.00007   0.01738   0.00000   0.01738   1.16335
   D235      -3.03406  -0.00004   0.01628   0.00000   0.01628  -3.01778
   D236      -3.11438   0.00006   0.01716   0.00000   0.01716  -3.09722
   D237      -1.02112   0.00003   0.01766   0.00000   0.01766  -1.00346
   D238       1.08203  -0.00009   0.01656   0.00000   0.01656   1.09860
   D239       1.10167   0.00002   0.01733   0.00000   0.01733   1.11900
   D240      -3.08825  -0.00001   0.01783   0.00000   0.01783  -3.07042
   D241      -0.98510  -0.00012   0.01673   0.00000   0.01673  -0.96837
   D242       2.94505   0.00023  -0.00001   0.00000  -0.00001   2.94504
   D243      -1.26425   0.00009   0.00024   0.00000   0.00024  -1.26401
   D244       0.86299   0.00020   0.00070   0.00000   0.00070   0.86370
   D245      -1.14682  -0.00008  -0.00061   0.00000  -0.00061  -1.14744
   D246       0.92706  -0.00022  -0.00036   0.00000  -0.00036   0.92670
   D247       3.05430  -0.00011   0.00010   0.00000   0.00010   3.05440
   D248       0.92108   0.00002  -0.00003   0.00000  -0.00003   0.92105
   D249       2.99496  -0.00013   0.00022   0.00000   0.00022   2.99518
   D250      -1.16098  -0.00002   0.00068   0.00000   0.00068  -1.16030
   D251       0.00163  -0.00003  -0.00081   0.00000  -0.00081   0.00082
   D252       3.13188   0.00002  -0.00039   0.00000  -0.00039   3.13149
         Item               Value     Threshold  Converged?
 Maximum Force            0.004028     0.000450     NO 
 RMS     Force            0.000428     0.000300     NO 
 Maximum Displacement     0.148138     0.001800     NO 
 RMS     Displacement     0.022554     0.001200     NO 
 Predicted change in Energy=-6.690683D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.817514   -1.965884    0.941933
      2          6           0       -9.315809   -0.921346   -0.059675
      3          6           0      -10.027579    0.423546    0.116554
      4          6           0       -7.834896   -0.747497    0.065133
      5          7           0       -6.939007   -0.974605   -0.864782
      6          6           0       -5.617351   -0.711186   -0.418407
      7          6           0       -4.495229   -0.943627   -1.390739
      8          7           0       -3.908574    0.312792   -1.921876
      9          6           0       -4.792517    1.036071   -2.877966
     10          6           0       -3.087703    1.140097   -1.113633
     11          8           0       -2.901422    2.324316   -1.374242
     12          7           0       -2.432825    0.533786    0.000893
     13          6           0       -1.306022    1.298159    0.583402
     14          6           0       -0.015522    1.053668   -0.227123
     15          8           0        0.229640    0.004084   -0.812166
     16          7           0        0.892526    2.106345   -0.231799
     17          6           0        2.188423    2.018211   -0.960429
     18          6           0        2.469502    3.344025   -1.701390
     19          6           0        2.538714    4.551320   -0.807668
     20          6           0        1.395593    5.341476   -0.606415
     21          6           0        1.455280    6.462801    0.225141
     22          6           0        2.652836    6.805603    0.860383
     23          6           0        3.795184    6.025486    0.654801
     24          6           0        3.741878    4.903623   -0.176671
     25          6           0        3.319358    1.638241    0.018796
     26          6           0        3.114473    0.227103    0.580378
     27          8           0        2.665115    0.326262    1.948792
     28          6           0        4.408145   -0.628467    0.724293
     29          6           0        5.157369   -0.752042   -0.612083
     30          6           0        6.512993   -1.377867   -0.432142
     31          6           0        6.677397   -2.757934   -0.627202
     32          6           0        7.936111   -3.341081   -0.466256
     33          6           0        9.036697   -2.553639   -0.110725
     34          6           0        8.873738   -1.179087    0.085536
     35          6           0        7.616283   -0.589215   -0.073414
     36          7           0        4.024071   -1.964907    1.280223
     37          6           0        3.223158   -2.805634    0.504803
     38          8           0        3.182720   -2.922570   -0.710374
     39          8           0        2.456742   -3.609160    1.341152
     40          6           0        1.513014   -4.501377    0.667173
     41          6           0        0.466537   -3.715598   -0.015973
     42          6           0       -0.886612   -3.677976    0.176499
     43          7           0       -1.593238   -2.798435   -0.671226
     44          6           0       -0.781346   -2.168717   -1.500626
     45         16           0        0.912482   -2.593905   -1.286528
     46          6           0       -1.127642    0.887158    2.074236
     47          6           0       -0.566978   -0.525576    2.234207
     48          6           0       -0.248313    1.906732    2.805393
     49          6           0       -5.515111   -0.272900    0.871032
     50         16           0       -7.093914   -0.174457    1.585363
     51          1           0      -10.885501   -2.165944    0.795217
     52          1           0       -9.286617   -2.919370    0.826365
     53          1           0       -9.689662   -1.642825    1.981885
     54          1           0       -9.529338   -1.300335   -1.100227
     55          1           0       -9.920535    0.821851    1.132549
     56          1           0       -9.635242    1.179125   -0.575605
     57          1           0      -11.101718    0.325359   -0.080214
     58          1           0       -3.695847   -1.569901   -0.917484
     59          1           0       -4.861883   -1.544617   -2.262780
     60          1           0       -4.868606    0.442545   -3.803728
     61          1           0       -4.358426    2.021919   -3.132577
     62          1           0       -5.806466    1.199120   -2.477084
     63          1           0       -2.281226   -0.484435   -0.018051
     64          1           0       -1.581468    2.393831    0.533516
     65          1           0        0.696962    2.984147    0.245624
     66          1           0        2.091427    1.199098   -1.732883
     67          1           0        1.683137    3.490067   -2.476026
     68          1           0        3.412403    3.240479   -2.278223
     69          1           0        0.461334    5.091552   -1.109297
     70          1           0        0.565565    7.073923    0.374132
     71          1           0        2.697503    7.679315    1.507352
     72          1           0        4.731563    6.294387    1.142141
     73          1           0        4.638534    4.309363   -0.338477
     74          1           0        3.375766    2.362253    0.858811
     75          1           0        4.296345    1.722482   -0.498226
     76          1           0        2.341438   -0.333081   -0.007690
     77          1           0        1.727022    0.656238    1.980879
     78          1           0        5.078562   -0.161133    1.497652
     79          1           0        4.552331   -1.348303   -1.339402
     80          1           0        5.254921    0.252470   -1.076717
     81          1           0        5.816125   -3.370995   -0.898531
     82          1           0        8.060210   -4.412195   -0.617230
     83          1           0       10.015798   -3.010373    0.013308
     84          1           0        9.728196   -0.564771    0.363217
     85          1           0        7.498471    0.479783    0.082409
     86          1           0        3.792250   -1.929247    2.285032
     87          1           0        1.133973   -5.091945    1.527317
     88          1           0        2.083335   -5.150484   -0.028537
     89          1           0       -1.463261   -4.248664    0.896797
     90          1           0       -1.088812   -1.424869   -2.230821
     91          1           0       -2.151460    0.914215    2.535052
     92          1           0       -1.156191   -1.269711    1.680740
     93          1           0        0.466800   -0.617753    1.870142
     94          1           0       -0.568426   -0.836775    3.285212
     95          1           0       -0.280930    1.737623    3.890326
     96          1           0        0.812129    1.836914    2.510634
     97          1           0       -0.576295    2.938006    2.635763
     98          1           0       -4.623581   -0.002851    1.414117
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0816874      0.0289539      0.0233774
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3660.8814428316 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258482439062     A.U. after   17 cycles
             Convg  =    0.4836D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000014511   -0.000015188    0.000087263
      2        6           0.000047062    0.000095005   -0.000008435
      3        6          -0.000015420   -0.000041684    0.000055807
      4        6           0.000062745   -0.000125219    0.000089324
      5        7           0.000058882    0.000230965   -0.000045835
      6        6           0.000028009   -0.000135499    0.000112663
      7        6           0.000059133    0.000205276    0.000030931
      8        7          -0.000147789   -0.000088330   -0.000294076
      9        6          -0.000005886   -0.000035244    0.000039787
     10        6           0.000094385   -0.000148467   -0.000183913
     11        8          -0.000006878    0.000112886    0.000186326
     12        7          -0.000115438   -0.000427379   -0.000259877
     13        6          -0.000007567    0.000188722   -0.000074082
     14        6           0.000162995   -0.000738908   -0.000184605
     15        8          -0.000035851   -0.000178617   -0.000012926
     16        7          -0.000094291    0.000074452   -0.000272480
     17        6          -0.000002968    0.000157170    0.000183129
     18        6           0.000072104   -0.000002774    0.000169186
     19        6           0.000010142    0.000002779    0.000007671
     20        6           0.000004473   -0.000002183    0.000063279
     21        6           0.000041029    0.000053508   -0.000016595
     22        6          -0.000064580   -0.000033210   -0.000003573
     23        6           0.000004361    0.000008863   -0.000007675
     24        6           0.000015197    0.000037655   -0.000079110
     25        6          -0.000076365    0.000265843   -0.000365106
     26        6          -0.000307483   -0.000124337   -0.000036526
     27        8          -0.000092538   -0.000028063    0.000278037
     28        6           0.000405774   -0.000100073    0.000165928
     29        6          -0.000361837    0.000009328    0.000004162
     30        6           0.000178444    0.000056851   -0.000001345
     31        6           0.000033518    0.000087149   -0.000019281
     32        6          -0.000017562    0.000005913    0.000001394
     33        6          -0.000012904    0.000070367    0.000034953
     34        6           0.000089043   -0.000040565   -0.000052475
     35        6          -0.000141646   -0.000056175    0.000059803
     36        7           0.000133707   -0.000082312    0.000009805
     37        6          -0.000148201    0.000217082    0.000454778
     38        8           0.000003030   -0.000167532    0.000021921
     39        8          -0.000165564   -0.000355766   -0.000521378
     40        6           0.000646355    0.000276524    0.000495461
     41        6          -0.000848249   -0.000113698   -0.001109723
     42        6           0.000774110    0.000199833    0.000104022
     43        7          -0.000225817   -0.000192148    0.000505012
     44        6          -0.000089193    0.000207661   -0.000287480
     45       16           0.000242145    0.000452308    0.000864512
     46        6          -0.000077437   -0.000122703    0.000115239
     47        6           0.000520706    0.000168429   -0.000108207
     48        6          -0.000473576    0.000193874   -0.000093000
     49        6          -0.000083373   -0.000034649   -0.000094491
     50       16           0.000085615   -0.000012468    0.000052778
     51        1          -0.000002193    0.000031188   -0.000012404
     52        1          -0.000013977   -0.000010537   -0.000012154
     53        1           0.000005972    0.000000260   -0.000038880
     54        1           0.000001308   -0.000008927   -0.000058594
     55        1          -0.000035305   -0.000003931   -0.000022584
     56        1          -0.000001124    0.000004147   -0.000021728
     57        1           0.000001216    0.000004346   -0.000002986
     58        1           0.000075010    0.000089813    0.000026828
     59        1          -0.000141586   -0.000078621    0.000004271
     60        1           0.000012630    0.000002804    0.000015803
     61        1          -0.000027280   -0.000002556    0.000045740
     62        1           0.000039215    0.000026872   -0.000014091
     63        1          -0.000024153    0.000188308    0.000297328
     64        1           0.000062477    0.000098397    0.000062004
     65        1           0.000063373    0.000006982    0.000068738
     66        1           0.000074007   -0.000033703   -0.000182187
     67        1          -0.000032349   -0.000049233   -0.000029605
     68        1          -0.000023400    0.000011828    0.000062584
     69        1          -0.000022524   -0.000014063   -0.000014630
     70        1          -0.000010130   -0.000001386    0.000012477
     71        1           0.000009493    0.000000737    0.000007934
     72        1           0.000003192    0.000001098   -0.000000067
     73        1           0.000004588   -0.000007565    0.000026679
     74        1           0.000062080    0.000028594    0.000074300
     75        1          -0.000004172    0.000158450    0.000026196
     76        1           0.000074283   -0.000048181   -0.000080431
     77        1           0.000186628   -0.000143593    0.000125859
     78        1           0.000150178   -0.000087127   -0.000158027
     79        1           0.000136822   -0.000062680    0.000074332
     80        1          -0.000028280   -0.000040101    0.000089183
     81        1          -0.000061839   -0.000060295    0.000028492
     82        1           0.000018721   -0.000008631   -0.000012154
     83        1          -0.000007987   -0.000018025   -0.000012337
     84        1          -0.000019691   -0.000002979    0.000012167
     85        1           0.000044199    0.000008337    0.000006537
     86        1          -0.000333795    0.000080181   -0.000064982
     87        1          -0.000211062   -0.000213188   -0.000512361
     88        1           0.000060289   -0.000012190    0.000034125
     89        1          -0.000180370    0.000088006   -0.000100142
     90        1          -0.000015344    0.000216049    0.000071290
     91        1           0.000112000    0.000044286   -0.000056668
     92        1           0.000023820   -0.000098914   -0.000067587
     93        1          -0.000288673   -0.000135629   -0.000132478
     94        1          -0.000143869   -0.000141064    0.000081892
     95        1          -0.000058696   -0.000003752   -0.000062060
     96        1           0.000233307    0.000284750    0.000196066
     97        1           0.000079252   -0.000030175    0.000111923
     98        1           0.000013701   -0.000033641    0.000045407
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001109723 RMS     0.000185424

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003680292 RMS     0.000425076
 Search for a local minimum.
 Step number  75 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   68   69   71   70   73
                                                     72   74   75
     Eigenvalues ---    0.00042   0.00109   0.00164   0.00208   0.00271
     Eigenvalues ---    0.00328   0.00353   0.00410   0.00539   0.00586
     Eigenvalues ---    0.00663   0.00738   0.00795   0.00821   0.00894
     Eigenvalues ---    0.00910   0.00989   0.01087   0.01167   0.01185
     Eigenvalues ---    0.01301   0.01329   0.01425   0.01449   0.01502
     Eigenvalues ---    0.01587   0.01623   0.01700   0.01733   0.01755
     Eigenvalues ---    0.01926   0.01985   0.02101   0.02118   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02244   0.02258   0.02268
     Eigenvalues ---    0.02291   0.02327   0.02369   0.02404   0.02409
     Eigenvalues ---    0.02414   0.02447   0.02479   0.02484   0.02492
     Eigenvalues ---    0.02527   0.02528   0.02551   0.02681   0.02699
     Eigenvalues ---    0.02922   0.02960   0.03303   0.03605   0.04012
     Eigenvalues ---    0.04060   0.04154   0.04191   0.04322   0.04505
     Eigenvalues ---    0.04590   0.04754   0.04922   0.04973   0.05090
     Eigenvalues ---    0.05131   0.05194   0.05253   0.05348   0.05406
     Eigenvalues ---    0.05440   0.05474   0.05529   0.05582   0.05587
     Eigenvalues ---    0.05691   0.05724   0.05750   0.05837   0.05859
     Eigenvalues ---    0.05979   0.06013   0.06118   0.06240   0.06272
     Eigenvalues ---    0.06523   0.06802   0.06902   0.07093   0.07117
     Eigenvalues ---    0.07524   0.08237   0.08420   0.08546   0.08726
     Eigenvalues ---    0.09279   0.09692   0.09876   0.10317   0.11472
     Eigenvalues ---    0.12124   0.12897   0.13120   0.13299   0.13448
     Eigenvalues ---    0.13804   0.13993   0.14423   0.15010   0.15616
     Eigenvalues ---    0.15685   0.15877   0.15913   0.15968   0.15981
     Eigenvalues ---    0.15985   0.15988   0.15995   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16001   0.16003   0.16004   0.16010   0.16016
     Eigenvalues ---    0.16053   0.16065   0.16084   0.16140   0.16150
     Eigenvalues ---    0.16249   0.16402   0.16677   0.16871   0.17131
     Eigenvalues ---    0.17833   0.17989   0.18330   0.18621   0.19163
     Eigenvalues ---    0.19448   0.19976   0.20196   0.20911   0.21762
     Eigenvalues ---    0.21802   0.21998   0.22000   0.22001   0.22031
     Eigenvalues ---    0.22104   0.22397   0.22694   0.23062   0.23417
     Eigenvalues ---    0.23493   0.23576   0.23693   0.24056   0.24266
     Eigenvalues ---    0.24618   0.24736   0.24846   0.24987   0.25100
     Eigenvalues ---    0.25257   0.25485   0.25870   0.26916   0.27260
     Eigenvalues ---    0.28463   0.29427   0.29652   0.29863   0.29956
     Eigenvalues ---    0.30092   0.30197   0.30296   0.30434   0.30616
     Eigenvalues ---    0.30654   0.30828   0.31261   0.31358   0.31427
     Eigenvalues ---    0.31498   0.31521   0.31659   0.31692   0.31827
     Eigenvalues ---    0.31956   0.32186   0.32288   0.32381   0.32513
     Eigenvalues ---    0.32572   0.32639   0.32730   0.32821   0.32883
     Eigenvalues ---    0.32977   0.32992   0.33060   0.33150   0.33156
     Eigenvalues ---    0.33211   0.33386   0.33485   0.33543   0.33663
     Eigenvalues ---    0.33728   0.33743   0.33872   0.33953   0.33986
     Eigenvalues ---    0.34026   0.34191   0.34237   0.34295   0.34395
     Eigenvalues ---    0.34474   0.34521   0.34538   0.34712   0.34964
     Eigenvalues ---    0.36240   0.36308   0.36354   0.36387   0.36537
     Eigenvalues ---    0.36636   0.36844   0.36949   0.37017   0.37226
     Eigenvalues ---    0.38433   0.38738   0.39339   0.39970   0.40931
     Eigenvalues ---    0.41615   0.41825   0.42501   0.42774   0.43094
     Eigenvalues ---    0.43386   0.43816   0.44711   0.45248   0.45759
     Eigenvalues ---    0.46319   0.47569   0.48156   0.48380   0.48439
     Eigenvalues ---    0.48683   0.48943   0.49410   0.49674   0.50289
     Eigenvalues ---    0.50787   0.51114   0.51248   0.51411   0.56411
     Eigenvalues ---    0.58376   0.59112   0.60840   0.62357   0.64790
     Eigenvalues ---    0.66591   0.74662   0.77911   0.82269   0.88044
     Eigenvalues ---    1.84793   2.38898   4.082381000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    75   74
 RFO step:  Lambda=-6.18175853D-05.
 DIIS coeffs:      0.99917      0.00083
 Maximum step size (   0.078) exceeded in Quadratic search.
    -- Step size scaled by   0.554
 Iteration  1 RMS(Cart)=  0.01782558 RMS(Int)=  0.00005215
 Iteration  2 RMS(Cart)=  0.00012613 RMS(Int)=  0.00000064
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000064
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89442   0.00002   0.00000  -0.00007  -0.00007   2.89435
    R2        2.07194   0.00002   0.00000   0.00007   0.00007   2.07201
    R3        2.07383   0.00000   0.00000  -0.00001  -0.00001   2.07382
    R4        2.07200  -0.00002   0.00000  -0.00005  -0.00005   2.07195
    R5        2.89468  -0.00002   0.00000  -0.00008  -0.00008   2.89460
    R6        2.82759   0.00000   0.00000  -0.00003  -0.00003   2.82756
    R7        2.13127   0.00003   0.00000   0.00006   0.00006   2.13133
    R8        2.07212  -0.00002   0.00000   0.00000   0.00000   2.07212
    R9        2.07346   0.00002   0.00000   0.00006   0.00006   2.07352
   R10        2.07193   0.00000   0.00000  -0.00002  -0.00002   2.07191
   R11        2.47759   0.00008   0.00000  -0.00013  -0.00013   2.47745
   R12        3.37438   0.00001   0.00000   0.00034   0.00034   3.37472
   R13        2.68276   0.00017   0.00000   0.00021   0.00021   2.68296
   R14        2.84001   0.00019   0.00000  -0.00014  -0.00014   2.83987
   R15        2.58084   0.00006   0.00000  -0.00021  -0.00021   2.58063
   R16        2.80601   0.00026   0.00000   0.00025   0.00025   2.80626
   R17        2.11717  -0.00005   0.00000  -0.00017  -0.00017   2.11700
   R18        2.11791  -0.00008   0.00000  -0.00038  -0.00038   2.11753
   R19        2.81474  -0.00006   0.00000  -0.00017  -0.00017   2.81457
   R20        2.68016   0.00006   0.00000   0.00008   0.00008   2.68025
   R21        2.08307  -0.00001   0.00000  -0.00005  -0.00005   2.08302
   R22        2.09168  -0.00003   0.00000  -0.00016  -0.00016   2.09152
   R23        2.08332   0.00003   0.00000   0.00017   0.00017   2.08349
   R24        2.31828  -0.00021   0.00000  -0.00022  -0.00022   2.31806
   R25        2.69817   0.00006   0.00000  -0.00006  -0.00006   2.69812
   R26        2.79862  -0.00021   0.00000  -0.00009  -0.00009   2.79853
   R27        1.94570   0.00030   0.00000   0.00088   0.00088   1.94657
   R28        2.91662  -0.00009   0.00000  -0.00012  -0.00012   2.91650
   R29        2.94174  -0.00007   0.00000  -0.00010  -0.00010   2.94164
   R30        2.13703  -0.00006   0.00000  -0.00006  -0.00006   2.13696
   R31        2.31752  -0.00013   0.00000  -0.00007  -0.00007   2.31745
   R32        2.62713  -0.00063   0.00000  -0.00038  -0.00038   2.62675
   R33        2.81437  -0.00015   0.00000  -0.00044  -0.00044   2.81394
   R34        1.92410   0.00002   0.00000  -0.00009  -0.00009   1.92401
   R35        2.91888  -0.00018   0.00000   0.00046   0.00046   2.91934
   R36        2.91672   0.00001   0.00000  -0.00055  -0.00055   2.91617
   R37        2.13551  -0.00002   0.00000  -0.00024  -0.00024   2.13526
   R38        2.84157  -0.00005   0.00000  -0.00007  -0.00007   2.84150
   R39        2.10411  -0.00003   0.00000  -0.00005  -0.00005   2.10406
   R40        2.09795  -0.00001   0.00000   0.00004   0.00004   2.09799
   R41        2.65342  -0.00003   0.00000  -0.00007  -0.00007   2.65335
   R42        2.65227  -0.00004   0.00000   0.00001   0.00001   2.65229
   R43        2.64049  -0.00002   0.00000   0.00000   0.00000   2.64049
   R44        2.05988  -0.00002   0.00000  -0.00004  -0.00004   2.05984
   R45        2.64237   0.00004   0.00000  -0.00001  -0.00001   2.64235
   R46        2.05907  -0.00001   0.00000  -0.00002  -0.00002   2.05906
   R47        2.64278  -0.00002   0.00000   0.00000   0.00000   2.64279
   R48        2.05619   0.00000   0.00000   0.00001   0.00001   2.05620
   R49        2.64073  -0.00001   0.00000  -0.00003  -0.00003   2.64069
   R50        2.05851   0.00000   0.00000   0.00000   0.00000   2.05851
   R51        2.05565   0.00000   0.00000  -0.00001  -0.00001   2.05564
   R52        2.89607   0.00041   0.00000   0.00001   0.00001   2.89608
   R53        2.09836   0.00001   0.00000  -0.00021  -0.00021   2.09815
   R54        2.09488  -0.00003   0.00000   0.00048   0.00048   2.09535
   R55        2.72822   0.00043   0.00000   0.00034   0.00034   2.72857
   R56        2.94355   0.00005   0.00000   0.00015   0.00015   2.94370
   R57        2.11886   0.00000   0.00000  -0.00040  -0.00040   2.11847
   R58        1.88019   0.00016   0.00000   0.00012   0.00012   1.88031
   R59        2.90459  -0.00008   0.00000   0.00023   0.00023   2.90482
   R60        2.82995   0.00032   0.00000  -0.00023  -0.00023   2.82972
   R61        2.12621  -0.00002   0.00000   0.00012   0.00012   2.12633
   R62        2.84198  -0.00009   0.00000  -0.00018  -0.00018   2.84180
   R63        2.11328  -0.00004   0.00000  -0.00017  -0.00017   2.11311
   R64        2.09959  -0.00006   0.00000  -0.00003  -0.00003   2.09956
   R65        2.65213   0.00004   0.00000   0.00002   0.00002   2.65215
   R66        2.65095   0.00006   0.00000   0.00006   0.00006   2.65101
   R67        2.63908   0.00000   0.00000   0.00002   0.00002   2.63910
   R68        2.06253  -0.00008   0.00000  -0.00018  -0.00018   2.06236
   R69        2.64410  -0.00001   0.00000  -0.00005  -0.00005   2.64405
   R70        2.05753  -0.00002   0.00000  -0.00002  -0.00002   2.05750
   R71        2.64188   0.00005   0.00000   0.00004   0.00004   2.64192
   R72        2.05505   0.00001   0.00000   0.00002   0.00002   2.05508
   R73        2.64184  -0.00005   0.00000  -0.00010  -0.00010   2.64174
   R74        2.05675   0.00001   0.00000   0.00001   0.00001   2.05676
   R75        2.05357   0.00001   0.00000   0.00001   0.00001   2.05358
   R76        2.63856   0.00054   0.00000   0.00061   0.00061   2.63917
   R77        1.94986  -0.00021   0.00000   0.00005   0.00005   1.94991
   R78        2.30823  -0.00012   0.00000  -0.00021  -0.00021   2.30802
   R79        2.62701  -0.00022   0.00000  -0.00065  -0.00065   2.62636
   R80        2.76503   0.00091   0.00000   0.00099   0.00099   2.76601
   R81        2.78967  -0.00021   0.00000  -0.00026  -0.00026   2.78941
   R82        2.09776  -0.00057   0.00000  -0.00147  -0.00147   2.09629
   R83        2.09633  -0.00006   0.00000  -0.00023  -0.00023   2.09610
   R84        2.58380   0.00039   0.00000   0.00125   0.00125   2.58505
   R85        3.31181  -0.00089   0.00000  -0.00356  -0.00356   3.30825
   R86        2.66682  -0.00052   0.00000  -0.00111  -0.00111   2.66572
   R87        2.05019  -0.00014   0.00000  -0.00039  -0.00039   2.04980
   R88        2.49531   0.00009   0.00000   0.00054   0.00054   2.49585
   R89        3.32489   0.00007   0.00000  -0.00057  -0.00057   3.32431
   R90        2.05366  -0.00009   0.00000  -0.00037  -0.00037   2.05329
   R91        2.88810  -0.00031   0.00000   0.00010   0.00010   2.88820
   R92        2.89526  -0.00038   0.00000   0.00008   0.00008   2.89534
   R93        2.12229   0.00009   0.00000   0.00014   0.00014   2.12244
   R94        2.07632  -0.00009   0.00000  -0.00047  -0.00047   2.07585
   R95        2.07847   0.00033   0.00000   0.00096   0.00096   2.07943
   R96        2.07135   0.00011   0.00000   0.00021   0.00021   2.07156
   R97        2.07590  -0.00006   0.00000  -0.00003  -0.00003   2.07587
   R98        2.08410  -0.00031   0.00000  -0.00081  -0.00081   2.08329
   R99        2.06998  -0.00001   0.00000  -0.00007  -0.00007   2.06991
   R100       3.27996   0.00010   0.00000   0.00044   0.00044   3.28040
   R101       2.03766   0.00003   0.00000  -0.00006  -0.00006   2.03760
    A1        1.93477   0.00000   0.00000  -0.00001  -0.00001   1.93476
    A2        1.94463  -0.00002   0.00000  -0.00022  -0.00022   1.94442
    A3        1.96179  -0.00003   0.00000   0.00004   0.00004   1.96183
    A4        1.87401   0.00001   0.00000   0.00019   0.00019   1.87420
    A5        1.86948   0.00002   0.00000  -0.00017  -0.00017   1.86930
    A6        1.87493   0.00003   0.00000   0.00019   0.00019   1.87512
    A7        1.95122   0.00005   0.00000   0.00011   0.00011   1.95133
    A8        1.92717  -0.00002   0.00000   0.00026   0.00026   1.92742
    A9        1.88826   0.00001   0.00000  -0.00006  -0.00006   1.88820
   A10        1.92653  -0.00005   0.00000  -0.00042  -0.00042   1.92611
   A11        1.88936   0.00000   0.00000   0.00016   0.00016   1.88952
   A12        1.87904   0.00002   0.00000  -0.00004  -0.00004   1.87900
   A13        1.96077  -0.00001   0.00000  -0.00020  -0.00020   1.96056
   A14        1.94537  -0.00001   0.00000   0.00000   0.00000   1.94537
   A15        1.93472   0.00000   0.00000   0.00013   0.00013   1.93486
   A16        1.87492   0.00000   0.00000  -0.00010  -0.00010   1.87481
   A17        1.86968   0.00002   0.00000   0.00014   0.00014   1.86982
   A18        1.87419   0.00000   0.00000   0.00003   0.00003   1.87423
   A19        2.21056  -0.00007   0.00000  -0.00008  -0.00008   2.21048
   A20        2.11648   0.00003   0.00000   0.00003   0.00003   2.11651
   A21        1.95615   0.00004   0.00000   0.00005   0.00005   1.95619
   A22        1.96167  -0.00005   0.00000  -0.00008  -0.00008   1.96159
   A23        2.05216  -0.00001   0.00000   0.00086   0.00086   2.05302
   A24        2.01098   0.00000   0.00000   0.00022   0.00022   2.01120
   A25        2.22004   0.00002   0.00000  -0.00108  -0.00108   2.21896
   A26        1.97746   0.00007   0.00000  -0.00144  -0.00144   1.97602
   A27        1.92400  -0.00008   0.00000   0.00015   0.00015   1.92415
   A28        1.91993   0.00007   0.00000   0.00109   0.00109   1.92101
   A29        1.92004   0.00005   0.00000  -0.00016  -0.00016   1.91989
   A30        1.88039  -0.00007   0.00000   0.00023   0.00023   1.88062
   A31        1.83625  -0.00005   0.00000   0.00027   0.00027   1.83652
   A32        1.98888  -0.00009   0.00000  -0.00021  -0.00021   1.98867
   A33        2.11577   0.00011   0.00000  -0.00094  -0.00094   2.11482
   A34        2.01089  -0.00003   0.00000   0.00005   0.00005   2.01094
   A35        1.89503   0.00000   0.00000   0.00004   0.00004   1.89508
   A36        1.92560  -0.00007   0.00000  -0.00026  -0.00026   1.92534
   A37        1.96516   0.00006   0.00000   0.00014   0.00014   1.96530
   A38        1.88962   0.00003   0.00000   0.00057   0.00057   1.89019
   A39        1.89815  -0.00003   0.00000  -0.00051  -0.00051   1.89764
   A40        1.88874   0.00002   0.00000   0.00003   0.00003   1.88878
   A41        2.12928  -0.00003   0.00000   0.00050   0.00050   2.12978
   A42        2.05172   0.00013   0.00000  -0.00087  -0.00087   2.05085
   A43        2.10144  -0.00010   0.00000   0.00031   0.00030   2.10174
   A44        2.02287  -0.00012   0.00000   0.00003   0.00003   2.02290
   A45        2.06362   0.00009   0.00000  -0.00049  -0.00049   2.06312
   A46        1.98846   0.00005   0.00000  -0.00053  -0.00053   1.98793
   A47        1.92608   0.00035   0.00000  -0.00113  -0.00113   1.92495
   A48        1.90456  -0.00005   0.00000  -0.00073  -0.00073   1.90383
   A49        1.87276  -0.00015   0.00000   0.00042   0.00042   1.87318
   A50        1.94475  -0.00043   0.00000   0.00070   0.00070   1.94545
   A51        1.91131   0.00002   0.00000   0.00072   0.00072   1.91203
   A52        1.90282   0.00027   0.00000   0.00002   0.00002   1.90285
   A53        2.15705   0.00007   0.00000  -0.00075  -0.00076   2.15630
   A54        2.01303   0.00011   0.00000   0.00113   0.00113   2.01416
   A55        2.11282  -0.00017   0.00000  -0.00034  -0.00034   2.11248
   A56        2.12373   0.00036   0.00000   0.00014   0.00014   2.12386
   A57        2.12441  -0.00027   0.00000  -0.00039  -0.00040   2.12402
   A58        2.03482  -0.00009   0.00000   0.00029   0.00029   2.03510
   A59        1.92010  -0.00014   0.00000  -0.00054  -0.00053   1.91956
   A60        1.91957  -0.00001   0.00000   0.00167   0.00167   1.92124
   A61        1.87825   0.00021   0.00000  -0.00002  -0.00002   1.87823
   A62        1.96310  -0.00030   0.00000  -0.00136  -0.00136   1.96173
   A63        1.88586  -0.00008   0.00000  -0.00016  -0.00016   1.88570
   A64        1.89454   0.00035   0.00000   0.00044   0.00044   1.89498
   A65        1.99590   0.00001   0.00000   0.00052   0.00052   1.99643
   A66        1.89421   0.00004   0.00000   0.00043   0.00043   1.89464
   A67        1.90048  -0.00005   0.00000  -0.00057  -0.00057   1.89991
   A68        1.91845  -0.00002   0.00000  -0.00018  -0.00018   1.91827
   A69        1.92261   0.00001   0.00000  -0.00005  -0.00005   1.92256
   A70        1.82408   0.00001   0.00000  -0.00022  -0.00022   1.82386
   A71        2.09385   0.00002   0.00000   0.00026   0.00026   2.09411
   A72        2.10389  -0.00004   0.00000  -0.00026  -0.00026   2.10364
   A73        2.08542   0.00001   0.00000  -0.00001  -0.00001   2.08541
   A74        2.09684   0.00000   0.00000   0.00000   0.00000   2.09685
   A75        2.09742  -0.00001   0.00000   0.00003   0.00003   2.09745
   A76        2.08882   0.00001   0.00000  -0.00004  -0.00004   2.08877
   A77        2.09866  -0.00001   0.00000   0.00001   0.00001   2.09867
   A78        2.09046   0.00001   0.00000   0.00000   0.00000   2.09046
   A79        2.09405   0.00000   0.00000  -0.00001  -0.00001   2.09404
   A80        2.08983  -0.00001   0.00000  -0.00002  -0.00002   2.08981
   A81        2.09687   0.00000   0.00000   0.00000   0.00000   2.09687
   A82        2.09647   0.00001   0.00000   0.00002   0.00002   2.09649
   A83        2.09918   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09288   0.00000   0.00000  -0.00002  -0.00002   2.09286
   A85        2.09112   0.00000   0.00000   0.00002   0.00002   2.09114
   A86        2.09638   0.00001   0.00000   0.00001   0.00001   2.09640
   A87        2.09741   0.00001   0.00000  -0.00001  -0.00001   2.09741
   A88        2.08936  -0.00001   0.00000   0.00000   0.00000   2.08936
   A89        1.94035   0.00240   0.00000   0.00268   0.00268   1.94304
   A90        1.93548  -0.00107   0.00000  -0.00062  -0.00062   1.93486
   A91        1.90833  -0.00038   0.00000  -0.00129  -0.00128   1.90704
   A92        1.90706  -0.00055   0.00000  -0.00025  -0.00025   1.90680
   A93        1.93767  -0.00100   0.00000  -0.00185  -0.00185   1.93582
   A94        1.83227   0.00045   0.00000   0.00119   0.00119   1.83346
   A95        1.90254   0.00057   0.00000   0.00162   0.00162   1.90416
   A96        2.01372  -0.00152   0.00000  -0.00159  -0.00159   2.01213
   A97        1.93908   0.00034   0.00000   0.00009   0.00009   1.93917
   A98        1.78099  -0.00015   0.00000  -0.00241  -0.00241   1.77859
   A99        1.89320  -0.00020   0.00000   0.00037   0.00037   1.89357
   A100       1.92478   0.00097   0.00000   0.00184   0.00185   1.92662
   A101       1.92496   0.00038   0.00000   0.00018   0.00018   1.92514
   A102       1.94837   0.00013   0.00000   0.00161   0.00161   1.94998
   A103       1.88754   0.00163   0.00000   0.00050   0.00050   1.88804
   A104       1.90735  -0.00095   0.00000  -0.00103  -0.00103   1.90631
   A105       1.95630  -0.00101   0.00000  -0.00068  -0.00068   1.95562
   A106       1.91830   0.00040   0.00000  -0.00067  -0.00067   1.91763
   A107       1.84245  -0.00023   0.00000   0.00018   0.00018   1.84264
   A108       1.94852   0.00002   0.00000  -0.00021  -0.00021   1.94832
   A109       1.92262  -0.00011   0.00000  -0.00031  -0.00031   1.92231
   A110       1.91103  -0.00003   0.00000  -0.00007  -0.00007   1.91096
   A111       1.92158   0.00007   0.00000   0.00062   0.00062   1.92220
   A112       1.92529   0.00002   0.00000  -0.00012  -0.00012   1.92517
   A113       1.83131   0.00004   0.00000   0.00010   0.00010   1.83141
   A114       2.09227   0.00003   0.00000   0.00024   0.00024   2.09252
   A115       2.10085   0.00000   0.00000  -0.00014  -0.00014   2.10071
   A116       2.09005  -0.00003   0.00000  -0.00010  -0.00010   2.08995
   A117       2.09460   0.00000   0.00000   0.00000   0.00000   2.09459
   A118       2.08800   0.00004   0.00000   0.00018   0.00018   2.08818
   A119       2.10057  -0.00004   0.00000  -0.00018  -0.00018   2.10039
   A120       2.09814   0.00001   0.00000   0.00006   0.00006   2.09820
   A121       2.09155  -0.00002   0.00000  -0.00011  -0.00011   2.09144
   A122       2.09350   0.00001   0.00000   0.00005   0.00005   2.09355
   A123       2.09130   0.00000   0.00000  -0.00003  -0.00003   2.09127
   A124       2.09532   0.00002   0.00000   0.00015   0.00015   2.09547
   A125       2.09656  -0.00002   0.00000  -0.00012  -0.00012   2.09644
   A126       2.09872  -0.00001   0.00000  -0.00003  -0.00003   2.09869
   A127       2.09354  -0.00002   0.00000  -0.00009  -0.00009   2.09345
   A128       2.09093   0.00002   0.00000   0.00012   0.00012   2.09105
   A129       2.09356   0.00002   0.00000   0.00011   0.00011   2.09367
   A130       2.09952  -0.00005   0.00000  -0.00021  -0.00021   2.09931
   A131       2.09010   0.00003   0.00000   0.00010   0.00010   2.09021
   A132       2.06951   0.00287   0.00000   0.00008   0.00008   2.06960
   A133       1.96957  -0.00110   0.00000  -0.00064  -0.00064   1.96893
   A134       2.01834  -0.00065   0.00000  -0.00062  -0.00062   2.01772
   A135       2.25123   0.00023   0.00000   0.00041   0.00041   2.25164
   A136       1.90727  -0.00090   0.00000  -0.00076  -0.00076   1.90651
   A137       2.12344   0.00060   0.00000   0.00041   0.00041   2.12385
   A138       2.01631   0.00332   0.00000   0.00161   0.00161   2.01792
   A139       1.92389   0.00368   0.00000  -0.00045  -0.00045   1.92343
   A140       1.75964  -0.00150   0.00000  -0.00073  -0.00073   1.75890
   A141       1.89029  -0.00098   0.00000  -0.00016  -0.00016   1.89013
   A142       1.98198  -0.00043   0.00000   0.00097   0.00097   1.98296
   A143       1.96675  -0.00100   0.00000   0.00031   0.00031   1.96706
   A144       1.92857   0.00025   0.00000  -0.00011  -0.00011   1.92846
   A145       2.27977  -0.00094   0.00000  -0.00251  -0.00252   2.27726
   A146       2.08955   0.00086   0.00000   0.00191   0.00191   2.09146
   A147       1.91375   0.00009   0.00000   0.00053   0.00053   1.91428
   A148       2.01322  -0.00002   0.00000  -0.00065  -0.00065   2.01257
   A149       2.22057  -0.00009   0.00000  -0.00069  -0.00069   2.21988
   A150       2.04938   0.00011   0.00000   0.00132   0.00132   2.05070
   A151       1.94621  -0.00004   0.00000   0.00012   0.00012   1.94633
   A152       1.98258  -0.00007   0.00000  -0.00052  -0.00052   1.98206
   A153       2.18278  -0.00004   0.00000  -0.00031  -0.00031   2.18247
   A154       2.11711   0.00011   0.00000   0.00087   0.00087   2.11798
   A155       1.56872   0.00004   0.00000   0.00056   0.00056   1.56928
   A156       1.96745  -0.00014   0.00000  -0.00025  -0.00025   1.96720
   A157       1.92527   0.00026   0.00000   0.00011   0.00011   1.92538
   A158       1.85681  -0.00004   0.00000  -0.00040  -0.00040   1.85641
   A159       1.93333  -0.00031   0.00000   0.00051   0.00051   1.93385
   A160       1.88994   0.00013   0.00000  -0.00007  -0.00007   1.88987
   A161       1.88743   0.00011   0.00000   0.00007   0.00007   1.88750
   A162       1.95691  -0.00006   0.00000  -0.00044  -0.00044   1.95646
   A163       1.96885  -0.00016   0.00000   0.00032   0.00032   1.96917
   A164       1.94155   0.00008   0.00000  -0.00013  -0.00013   1.94142
   A165       1.85515   0.00011   0.00000  -0.00033  -0.00033   1.85482
   A166       1.86503   0.00008   0.00000   0.00180   0.00180   1.86683
   A167       1.87008  -0.00003   0.00000  -0.00117  -0.00117   1.86890
   A168       1.93033   0.00008   0.00000   0.00030   0.00030   1.93063
   A169       1.96296  -0.00035   0.00000   0.00094   0.00094   1.96390
   A170       1.96143   0.00010   0.00000  -0.00061  -0.00061   1.96082
   A171       1.85748   0.00005   0.00000   0.00001   0.00001   1.85749
   A172       1.86396  -0.00007   0.00000  -0.00052  -0.00052   1.86344
   A173       1.88191   0.00020   0.00000  -0.00017  -0.00017   1.88174
   A174       1.91631   0.00000   0.00000  -0.00012  -0.00012   1.91618
   A175       2.23673   0.00005   0.00000   0.00024   0.00024   2.23697
   A176       2.13009  -0.00005   0.00000  -0.00013  -0.00014   2.12995
   A177       1.57967   0.00001   0.00000  -0.00007  -0.00007   1.57960
    D1        1.07969   0.00004   0.00000  -0.00593  -0.00593   1.07376
    D2       -3.05139   0.00000   0.00000  -0.00621  -0.00621  -3.05760
    D3       -0.99914   0.00001   0.00000  -0.00615  -0.00615  -1.00529
    D4       -3.11754   0.00003   0.00000  -0.00585  -0.00585  -3.12339
    D5       -0.96544  -0.00001   0.00000  -0.00613  -0.00613  -0.97156
    D6        1.08681   0.00001   0.00000  -0.00607  -0.00607   1.08075
    D7       -1.01196   0.00003   0.00000  -0.00573  -0.00573  -1.01769
    D8        1.14014  -0.00001   0.00000  -0.00601  -0.00601   1.13413
    D9       -3.09080   0.00000   0.00000  -0.00595  -0.00595  -3.09675
   D10        0.99533   0.00000   0.00000  -0.00135  -0.00135   0.99399
   D11        3.10070  -0.00001   0.00000  -0.00162  -0.00162   3.09908
   D12       -1.09586  -0.00002   0.00000  -0.00149  -0.00149  -1.09734
   D13       -1.15713   0.00002   0.00000  -0.00145  -0.00145  -1.15858
   D14        0.94823   0.00001   0.00000  -0.00172  -0.00172   0.94651
   D15        3.03486   0.00001   0.00000  -0.00159  -0.00159   3.03328
   D16        3.07351   0.00003   0.00000  -0.00125  -0.00125   3.07226
   D17       -1.10431   0.00002   0.00000  -0.00153  -0.00153  -1.10584
   D18        0.98232   0.00002   0.00000  -0.00139  -0.00139   0.98093
   D19        2.07199  -0.00002   0.00000   0.00401   0.00400   2.07599
   D20       -1.07226  -0.00002   0.00000   0.00259   0.00259  -1.06967
   D21       -2.04483  -0.00001   0.00000   0.00403   0.00403  -2.04080
   D22        1.09412   0.00000   0.00000   0.00261   0.00261   1.09673
   D23        0.01407  -0.00003   0.00000   0.00396   0.00396   0.01802
   D24       -3.13017  -0.00002   0.00000   0.00254   0.00254  -3.12763
   D25       -3.13983   0.00000   0.00000  -0.00048  -0.00048  -3.14031
   D26        0.00420   0.00000   0.00000   0.00083   0.00083   0.00503
   D27        3.14091   0.00001   0.00000   0.00058   0.00058   3.14150
   D28       -0.00297   0.00001   0.00000  -0.00064  -0.00064  -0.00361
   D29        3.13355  -0.00002   0.00000  -0.00010  -0.00010   3.13346
   D30       -0.00373   0.00000   0.00000  -0.00066  -0.00066  -0.00438
   D31        1.85622   0.00002   0.00001  -0.01602  -0.01601   1.84021
   D32       -2.26677   0.00007   0.00001  -0.01717  -0.01716  -2.28393
   D33       -0.24953   0.00001   0.00001  -0.01612  -0.01611  -0.26564
   D34       -1.29027   0.00000   0.00001  -0.01539  -0.01538  -1.30565
   D35        0.86992   0.00006   0.00001  -0.01653  -0.01652   0.85340
   D36        2.88716  -0.00001   0.00001  -0.01549  -0.01548   2.87169
   D37        0.00136   0.00001   0.00000   0.00015   0.00015   0.00151
   D38       -3.12846  -0.00001   0.00000   0.00157   0.00157  -3.12689
   D39       -3.13543   0.00003   0.00000  -0.00048  -0.00048  -3.13591
   D40        0.01793   0.00000   0.00000   0.00094   0.00094   0.01887
   D41       -1.25144   0.00001   0.00000   0.00100   0.00100  -1.25044
   D42        1.27117  -0.00001   0.00000  -0.00078  -0.00078   1.27039
   D43        2.86939   0.00002   0.00000   0.00198   0.00198   2.87136
   D44       -0.89118   0.00000   0.00000   0.00019   0.00020  -0.89099
   D45        0.87655   0.00010   0.00000   0.00161   0.00161   0.87816
   D46       -2.88402   0.00007   0.00000  -0.00017  -0.00017  -2.88419
   D47       -1.20258   0.00001   0.00000   0.00116   0.00116  -1.20142
   D48        3.01238   0.00002   0.00000   0.00059   0.00059   3.01298
   D49        0.90025   0.00001   0.00000   0.00064   0.00064   0.90089
   D50        2.51948  -0.00002   0.00000   0.00319   0.00319   2.52267
   D51        0.45126  -0.00001   0.00000   0.00262   0.00262   0.45388
   D52       -1.66087  -0.00002   0.00000   0.00267   0.00267  -1.65821
   D53       -2.77904   0.00004   0.00000   0.00297   0.00297  -2.77607
   D54        0.40397   0.00007   0.00000   0.00472   0.00472   0.40869
   D55       -0.26365   0.00000   0.00000   0.00108   0.00108  -0.26257
   D56        2.91935   0.00003   0.00000   0.00283   0.00283   2.92218
   D57        2.84854  -0.00003   0.00000  -0.00164  -0.00164   2.84690
   D58        0.39480  -0.00008   0.00000  -0.00003  -0.00004   0.39476
   D59       -0.25233   0.00000   0.00000   0.00007   0.00007  -0.25226
   D60       -2.70607  -0.00004   0.00000   0.00168   0.00168  -2.70439
   D61       -1.43866  -0.00016   0.00000  -0.00137  -0.00137  -1.44004
   D62        2.70205   0.00019   0.00000  -0.00103  -0.00103   2.70102
   D63        0.64270  -0.00003   0.00000  -0.00090  -0.00090   0.64180
   D64        1.04443  -0.00010   0.00000  -0.00291  -0.00291   1.04152
   D65       -1.09804   0.00024   0.00000  -0.00257  -0.00257  -1.10061
   D66        3.12579   0.00003   0.00000  -0.00243  -0.00243   3.12336
   D67       -0.54038  -0.00015   0.00000   0.00373   0.00373  -0.53664
   D68        2.62694  -0.00014   0.00000   0.00189   0.00189   2.62884
   D69        1.57840  -0.00027   0.00000   0.00250   0.00250   1.58090
   D70       -1.53746  -0.00025   0.00000   0.00066   0.00066  -1.53680
   D71       -2.59819  -0.00019   0.00000   0.00346   0.00346  -2.59472
   D72        0.56913  -0.00018   0.00000   0.00162   0.00162   0.57076
   D73        1.23961   0.00007   0.00000   0.00151   0.00151   1.24111
   D74       -2.87234  -0.00023   0.00000   0.00208   0.00208  -2.87026
   D75       -0.82927   0.00002   0.00000   0.00199   0.00199  -0.82728
   D76       -0.89165  -0.00005   0.00000   0.00297   0.00297  -0.88868
   D77        1.27959  -0.00035   0.00000   0.00354   0.00354   1.28313
   D78       -2.96053  -0.00010   0.00000   0.00345   0.00345  -2.95708
   D79       -3.00321   0.00002   0.00000   0.00161   0.00161  -3.00160
   D80       -0.83197  -0.00028   0.00000   0.00218   0.00218  -0.82979
   D81        1.21109  -0.00003   0.00000   0.00209   0.00209   1.21318
   D82        3.13349  -0.00027   0.00000   0.00368   0.00368   3.13717
   D83       -0.03173  -0.00026   0.00000   0.00520   0.00520  -0.02653
   D84        0.01691  -0.00026   0.00000   0.00190   0.00190   0.01881
   D85        3.13488  -0.00025   0.00000   0.00342   0.00342   3.13830
   D86        2.40197  -0.00004   0.00000   0.00013   0.00013   2.40210
   D87       -1.70950  -0.00053   0.00000  -0.00082  -0.00082  -1.71032
   D88        0.35129   0.00001   0.00000   0.00062   0.00062   0.35191
   D89       -0.71715  -0.00005   0.00000  -0.00131  -0.00131  -0.71846
   D90        1.45457  -0.00053   0.00000  -0.00226  -0.00226   1.45231
   D91       -2.76783   0.00000   0.00000  -0.00081  -0.00082  -2.76865
   D92        1.03175  -0.00014   0.00000   0.00205   0.00206   1.03380
   D93       -1.11683  -0.00015   0.00000   0.00160   0.00160  -1.11524
   D94       -3.09263  -0.00015   0.00000   0.00192   0.00192  -3.09071
   D95       -1.11462   0.00019   0.00000   0.00125   0.00125  -1.11337
   D96        3.01998   0.00018   0.00000   0.00079   0.00079   3.02077
   D97        1.04419   0.00018   0.00000   0.00111   0.00111   1.04530
   D98        3.07769  -0.00001   0.00000   0.00164   0.00164   3.07934
   D99        0.92911  -0.00002   0.00000   0.00118   0.00118   0.93029
   D100      -1.04668  -0.00002   0.00000   0.00151   0.00151  -1.04518
   D101       1.14176   0.00049   0.00000  -0.00639  -0.00639   1.13537
   D102      -0.98367   0.00028   0.00000  -0.00749  -0.00749  -0.99116
   D103      -2.99589   0.00057   0.00000  -0.00782  -0.00782  -3.00371
   D104      -2.99477   0.00009   0.00000  -0.00682  -0.00682  -3.00158
   D105       1.16299  -0.00012   0.00000  -0.00792  -0.00792   1.15507
   D106      -0.84923   0.00017   0.00000  -0.00825  -0.00825  -0.85748
   D107      -0.90893   0.00004   0.00000  -0.00757  -0.00757  -0.91650
   D108      -3.03436  -0.00017   0.00000  -0.00867  -0.00867  -3.04303
   D109       1.23660   0.00012   0.00000  -0.00900  -0.00900   1.22760
   D110      -1.64703   0.00000   0.00000   0.00368   0.00368  -1.64335
   D111       1.50216   0.00000   0.00000   0.00424   0.00424   1.50640
   D112       0.48840   0.00004   0.00000   0.00449   0.00449   0.49288
   D113      -2.64559   0.00004   0.00000   0.00504   0.00504  -2.64055
   D114       2.48927   0.00004   0.00000   0.00410   0.00410   2.49336
   D115      -0.64472   0.00004   0.00000   0.00465   0.00465  -0.64007
   D116       3.13967   0.00000   0.00000   0.00020   0.00020   3.13987
   D117      -0.01738  -0.00001   0.00000  -0.00034  -0.00034  -0.01772
   D118      -0.00944   0.00000   0.00000  -0.00035  -0.00035  -0.00980
   D119       3.11669  -0.00001   0.00000  -0.00088  -0.00088   3.11581
   D120      -3.13871   0.00000   0.00000  -0.00038  -0.00038  -3.13909
   D121       0.01099  -0.00001   0.00000  -0.00067  -0.00067   0.01033
   D122       0.01045   0.00000   0.00000   0.00017   0.00017   0.01062
   D123      -3.12303  -0.00001   0.00000  -0.00012  -0.00012  -3.12315
   D124       0.00116   0.00000   0.00000   0.00029   0.00029   0.00145
   D125       3.13758   0.00001   0.00000   0.00023   0.00023   3.13781
   D126      -3.12505   0.00001   0.00000   0.00082   0.00082  -3.12423
   D127       0.01137   0.00001   0.00000   0.00076   0.00076   0.01213
   D128       0.00617   0.00000   0.00000  -0.00005  -0.00005   0.00612
   D129       3.14129   0.00000   0.00000  -0.00002  -0.00002   3.14127
   D130      -3.13025   0.00000   0.00000   0.00002   0.00002  -3.13023
   D131       0.00487   0.00000   0.00000   0.00004   0.00004   0.00492
   D132      -0.00516   0.00000   0.00000  -0.00014  -0.00014  -0.00530
   D133       3.13333   0.00001   0.00000  -0.00011  -0.00011   3.13322
   D134      -3.14028  -0.00001   0.00000  -0.00017  -0.00017  -3.14044
   D135      -0.00179   0.00000   0.00000  -0.00013  -0.00013  -0.00192
   D136      -0.00318   0.00000   0.00000   0.00008   0.00008  -0.00311
   D137       3.13034   0.00001   0.00000   0.00036   0.00036   3.13070
   D138       3.14151   0.00000   0.00000   0.00004   0.00004   3.14156
   D139      -0.00815   0.00001   0.00000   0.00033   0.00033  -0.00782
   D140      -1.84500   0.00015   0.00000   0.00529   0.00529  -1.83971
   D141       2.44750   0.00085   0.00000   0.00815   0.00816   2.45565
   D142       0.24033   0.00047   0.00000   0.00684   0.00684   0.24718
   D143       0.29690   0.00002   0.00000   0.00612   0.00612   0.30302
   D144      -1.69379   0.00072   0.00000   0.00898   0.00898  -1.68481
   D145       2.38223   0.00034   0.00000   0.00767   0.00767   2.38990
   D146       2.30962  -0.00033   0.00000   0.00636   0.00636   2.31597
   D147       0.31893   0.00037   0.00000   0.00922   0.00922   0.32815
   D148      -1.88824  -0.00001   0.00000   0.00791   0.00791  -1.88032
   D149       1.24900   0.00070   0.00001  -0.00675  -0.00674   1.24226
   D150      -2.89652  -0.00088   0.00001  -0.00914  -0.00913  -2.90564
   D151      -0.86459   0.00007   0.00001  -0.00806  -0.00805  -0.87264
   D152      -0.98012  -0.00006   0.00000  -0.00318  -0.00318  -0.98330
   D153      -3.14011  -0.00001   0.00000  -0.00373  -0.00373   3.13934
   D154       1.14561  -0.00012   0.00000  -0.00367  -0.00368   1.14194
   D155      -3.03998   0.00010   0.00000  -0.00279  -0.00279  -3.04277
   D156       1.08321   0.00015   0.00000  -0.00334  -0.00335   1.07987
   D157      -0.91424   0.00004   0.00000  -0.00329  -0.00329  -0.91754
   D158       1.23430   0.00001   0.00000  -0.00275  -0.00275   1.23155
   D159      -0.92570   0.00006   0.00000  -0.00330  -0.00330  -0.92900
   D160      -2.92315  -0.00005   0.00000  -0.00324  -0.00325  -2.92640
   D161       2.97652  -0.00073   0.00000  -0.00487  -0.00487   2.97165
   D162      -1.16606  -0.00071   0.00000  -0.00444  -0.00443  -1.17049
   D163       0.83930  -0.00074   0.00000  -0.00453  -0.00453   0.83478
   D164      -1.18602   0.00076   0.00000  -0.00355  -0.00355  -1.18957
   D165       0.95458   0.00077   0.00000  -0.00312  -0.00311   0.95147
   D166       2.95995   0.00074   0.00000  -0.00321  -0.00321   2.95674
   D167       0.85712   0.00011   0.00000  -0.00417  -0.00417   0.85295
   D168       2.99773   0.00012   0.00000  -0.00374  -0.00374   2.99399
   D169      -1.28009   0.00010   0.00000  -0.00383  -0.00383  -1.28392
   D170       1.14334   0.00149   0.00000  -0.00152  -0.00152   1.14181
   D171      -1.29728   0.00036   0.00000   0.00029   0.00029  -1.29699
   D172      -1.01187   0.00084   0.00000  -0.00346  -0.00346  -1.01533
   D173       2.83070  -0.00029   0.00000  -0.00165  -0.00165   2.82905
   D174      -3.09999   0.00105   0.00000  -0.00239  -0.00239  -3.10238
   D175       0.74258  -0.00007   0.00000  -0.00057  -0.00058   0.74200
   D176       1.66184   0.00000   0.00000   0.00213   0.00214   1.66397
   D177      -1.48261   0.00000   0.00000   0.00202   0.00202  -1.48059
   D178      -0.47937   0.00009   0.00000   0.00223   0.00223  -0.47713
   D179       2.65937   0.00009   0.00000   0.00212   0.00212   2.66149
   D180      -2.49233  -0.00002   0.00000   0.00182   0.00182  -2.49051
   D181       0.64641  -0.00002   0.00000   0.00171   0.00171   0.64811
   D182       3.13697  -0.00001   0.00000  -0.00071  -0.00071   3.13626
   D183      -0.01127  -0.00002   0.00000  -0.00100  -0.00100  -0.01227
   D184      -0.00179  -0.00001   0.00000  -0.00059  -0.00059  -0.00238
   D185       3.13316  -0.00002   0.00000  -0.00089  -0.00089   3.13227
   D186      -3.13646   0.00001   0.00000   0.00058   0.00058  -3.13589
   D187       0.00569   0.00001   0.00000   0.00063   0.00063   0.00633
   D188       0.00228   0.00001   0.00000   0.00046   0.00046   0.00274
   D189      -3.13875   0.00001   0.00000   0.00052   0.00052  -3.13823
   D190      -0.00015   0.00001   0.00000   0.00028   0.00028   0.00013
   D191       3.14043   0.00000   0.00000   0.00027   0.00027   3.14071
   D192      -3.13505   0.00001   0.00000   0.00057   0.00057  -3.13448
   D193       0.00553   0.00001   0.00000   0.00057   0.00057   0.00610
   D194       0.00160   0.00000   0.00000   0.00017   0.00017   0.00177
   D195      -3.14093   0.00000   0.00000   0.00015   0.00015  -3.14078
   D196      -3.13898   0.00000   0.00000   0.00017   0.00017  -3.13881
   D197       0.00167   0.00000   0.00000   0.00016   0.00016   0.00183
   D198      -0.00110  -0.00001   0.00000  -0.00030  -0.00030  -0.00140
   D199       3.14040  -0.00001   0.00000  -0.00034  -0.00034   3.14007
   D200       3.14143   0.00000   0.00000  -0.00028  -0.00028   3.14115
   D201      -0.00025  -0.00001   0.00000  -0.00032  -0.00032  -0.00057
   D202      -0.00084   0.00000   0.00000  -0.00002  -0.00002  -0.00086
   D203       3.14020   0.00000   0.00000  -0.00007  -0.00007   3.14012
   D204       3.14084   0.00000   0.00000   0.00002   0.00002   3.14086
   D205      -0.00131   0.00000   0.00000  -0.00004  -0.00004  -0.00135
   D206       0.56563   0.00021   0.00000   0.00868   0.00867   0.57430
   D207      -2.62958  -0.00120   0.00000   0.00992   0.00992  -2.61966
   D208       2.98734   0.00125   0.00000   0.00682   0.00682   2.99416
   D209      -0.20787  -0.00017   0.00000   0.00807   0.00807  -0.19980
   D210       3.09022   0.00295   0.00000   0.00478   0.00478   3.09499
   D211      -0.10034   0.00165   0.00000   0.00592   0.00592  -0.09442
   D212      -1.15207   0.00022   0.00000  -0.00145  -0.00145  -1.15352
   D213       3.03195  -0.00008   0.00000  -0.00198  -0.00198   3.02998
   D214       1.00694   0.00070   0.00000  -0.00146  -0.00146   1.00548
   D215      -2.05504   0.00014   0.00000   0.00413   0.00414  -2.05090
   D216       1.06906   0.00057   0.00000  -0.00102  -0.00102   1.06804
   D217      -0.09558   0.00033   0.00000   0.00351   0.00351  -0.09206
   D218       3.02852   0.00076   0.00000  -0.00165  -0.00164   3.02688
   D219       2.11417  -0.00054   0.00000   0.00445   0.00445   2.11862
   D220      -1.04492  -0.00011   0.00000  -0.00071  -0.00070  -1.04562
   D221      -3.14015   0.00045   0.00000  -0.00663  -0.00663   3.13641
   D222      -0.00529   0.00022   0.00000  -0.00876  -0.00876  -0.01405
   D223       0.01758   0.00004   0.00000  -0.00190  -0.00190   0.01568
   D224      -3.13075  -0.00019   0.00000  -0.00403  -0.00403  -3.13478
   D225       3.13537  -0.00044   0.00000   0.00572   0.00573   3.14110
   D226      -0.02032  -0.00010   0.00000   0.00154   0.00154  -0.01879
   D227      -0.00293   0.00008   0.00000   0.00126   0.00125  -0.00167
   D228      -3.13848   0.00029   0.00000   0.00317   0.00317  -3.13530
   D229      -0.01350  -0.00016   0.00000   0.00004   0.00004  -0.01347
   D230      -3.11474  -0.00017   0.00000  -0.00104  -0.00104  -3.11577
   D231       0.01986   0.00016   0.00000  -0.00092  -0.00092   0.01895
   D232       3.12280   0.00017   0.00000   0.00008   0.00008   3.12288
   D233      -0.93042   0.00004  -0.00001  -0.00847  -0.00847  -0.93889
   D234       1.16335   0.00002  -0.00001  -0.00899  -0.00899   1.15436
   D235      -3.01778  -0.00007  -0.00001  -0.01037  -0.01037  -3.02816
   D236      -3.09722   0.00003  -0.00001  -0.00881  -0.00882  -3.10604
   D237      -1.00346   0.00001  -0.00001  -0.00933  -0.00934  -1.01279
   D238       1.09860  -0.00008  -0.00001  -0.01071  -0.01072   1.08788
   D239       1.11900   0.00000  -0.00001  -0.00915  -0.00916   1.10984
   D240      -3.07042  -0.00003  -0.00001  -0.00967  -0.00968  -3.08010
   D241      -0.96837  -0.00012  -0.00001  -0.01106  -0.01106  -0.97943
   D242       2.94504   0.00018   0.00000   0.00781   0.00781   2.95285
   D243      -1.26401   0.00006   0.00000   0.00864   0.00864  -1.25537
   D244       0.86370   0.00014   0.00000   0.00867   0.00867   0.87236
   D245      -1.14744  -0.00003   0.00000   0.00794   0.00794  -1.13950
   D246       0.92670  -0.00014   0.00000   0.00877   0.00877   0.93547
   D247       3.05440  -0.00006   0.00000   0.00879   0.00879   3.06319
   D248       0.92105   0.00002   0.00000   0.00819   0.00819   0.92924
   D249       2.99518  -0.00009   0.00000   0.00903   0.00903   3.00421
   D250      -1.16030  -0.00002   0.00000   0.00905   0.00905  -1.15125
   D251       0.00082  -0.00001   0.00000   0.00026   0.00026   0.00107
   D252       3.13149   0.00001   0.00000  -0.00106  -0.00106   3.13043
         Item               Value     Threshold  Converged?
 Maximum Force            0.003680     0.000450     NO 
 RMS     Force            0.000425     0.000300     NO 
 Maximum Displacement     0.072322     0.001800     NO 
 RMS     Displacement     0.017868     0.001200     NO 
 Predicted change in Energy=-3.521038D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.836763   -1.941906    0.922435
      2          6           0       -9.320942   -0.896304   -0.070803
      3          6           0      -10.018774    0.454955    0.111989
      4          6           0       -7.838718   -0.738538    0.059515
      5          7           0       -6.942836   -0.964950   -0.870477
      6          6           0       -5.619738   -0.718748   -0.418235
      7          6           0       -4.496640   -0.951984   -1.389136
      8          7           0       -3.912088    0.305218   -1.921109
      9          6           0       -4.797461    1.026146   -2.877511
     10          6           0       -3.094461    1.134670   -1.111702
     11          8           0       -2.912223    2.319821   -1.370370
     12          7           0       -2.436322    0.527968    0.000649
     13          6           0       -1.311042    1.294384    0.583291
     14          6           0       -0.021379    1.052814   -0.229318
     15          8           0        0.222201    0.005176   -0.818415
     16          7           0        0.886726    2.105177   -0.233443
     17          6           0        2.179233    2.020149   -0.967967
     18          6           0        2.456640    3.349757   -1.704004
     19          6           0        2.532474    4.552839   -0.805213
     20          6           0        1.390388    5.340556   -0.589320
     21          6           0        1.456647    6.458050    0.246882
     22          6           0        2.659880    6.799626    0.871960
     23          6           0        3.801240    6.022114    0.651549
     24          6           0        3.741296    4.903979   -0.184450
     25          6           0        3.316052    1.637106    0.002751
     26          6           0        3.114089    0.227459    0.569126
     27          8           0        2.669662    0.327953    1.939241
     28          6           0        4.410717   -0.623699    0.713482
     29          6           0        5.157541   -0.754149   -0.623723
     30          6           0        6.517631   -1.369251   -0.441341
     31          6           0        6.691661   -2.749463   -0.626854
     32          6           0        7.954916   -3.322299   -0.464368
     33          6           0        9.050432   -2.524493   -0.116470
     34          6           0        8.877815   -1.149848    0.070812
     35          6           0        7.615858   -0.570271   -0.089875
     36          7           0        4.033155   -1.957853    1.278950
     37          6           0        3.230255   -2.805365    0.512437
     38          8           0        3.189167   -2.935581   -0.701255
     39          8           0        2.461636   -3.596458    1.357993
     40          6           0        1.518904   -4.499666    0.696236
     41          6           0        0.472799   -3.724464    0.000847
     42          6           0       -0.880401   -3.683710    0.197012
     43          7           0       -1.587802   -2.812818   -0.657989
     44          6           0       -0.777361   -2.193953   -1.497374
     45         16           0        0.915857   -2.620437   -1.283520
     46          6           0       -1.131333    0.881114    2.073283
     47          6           0       -0.565332   -0.529897    2.230158
     48          6           0       -0.256623    1.902916    2.806952
     49          6           0       -5.516311   -0.293670    0.875404
     50         16           0       -7.096074   -0.186586    1.586929
     51          1           0      -10.907727   -2.125182    0.775200
     52          1           0       -9.319698   -2.901857    0.798065
     53          1           0       -9.703409   -1.629547    1.964935
     54          1           0       -9.535165   -1.266381   -1.114451
     55          1           0       -9.911607    0.844717    1.131277
     56          1           0       -9.615109    1.211170   -0.572976
     57          1           0      -11.093056    0.370047   -0.090058
     58          1           0       -3.696475   -1.575502   -0.913786
     59          1           0       -4.860786   -1.554971   -2.260591
     60          1           0       -4.873573    0.431303   -3.802395
     61          1           0       -4.364747    2.012238   -3.133152
     62          1           0       -5.811586    1.188241   -2.476442
     63          1           0       -2.280603   -0.490030   -0.021758
     64          1           0       -1.588942    2.389493    0.535429
     65          1           0        0.693660    2.980280    0.249812
     66          1           0        2.078569    1.204975   -1.743922
     67          1           0        1.666016    3.500481   -2.473356
     68          1           0        3.395974    3.247971   -2.286974
     69          1           0        0.451797    5.092116   -1.084763
     70          1           0        0.567596    7.067193    0.407418
     71          1           0        2.709650    7.670371    1.522552
     72          1           0        4.741993    6.290159    1.130870
     73          1           0        4.637063    4.311573   -0.357542
     74          1           0        3.381497    2.362450    0.840811
     75          1           0        4.288799    1.716631   -0.523469
     76          1           0        2.340501   -0.335383   -0.015263
     77          1           0        1.733389    0.662894    1.974813
     78          1           0        5.081924   -0.148946    1.481714
     79          1           0        4.554337   -1.360494   -1.344056
     80          1           0        5.247484    0.246892   -1.097264
     81          1           0        5.834449   -3.370831   -0.891692
     82          1           0        8.086421   -4.393498   -0.608198
     83          1           0       10.033153   -2.973105    0.008669
     84          1           0        9.728316   -0.527565    0.342859
     85          1           0        7.490385    0.498855    0.058985
     86          1           0        3.804967   -1.916136    2.284384
     87          1           0        1.140723   -5.077277    1.564517
     88          1           0        2.090468   -5.158390    0.010859
     89          1           0       -1.454819   -4.247809    0.923938
     90          1           0       -1.086292   -1.458689   -2.235311
     91          1           0       -2.155625    0.903025    2.533500
     92          1           0       -1.156837   -1.275719    1.681927
     93          1           0        0.466143   -0.619930    1.857590
     94          1           0       -0.555982   -0.839304    3.281767
     95          1           0       -0.282390    1.726665    3.890916
     96          1           0        0.802567    1.844934    2.506779
     97          1           0       -0.594680    2.932297    2.646057
     98          1           0       -4.623760   -0.036279    1.422881
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0817276      0.0289147      0.0233548
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.7361173028 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258505279296     A.U. after   16 cycles
             Convg  =    0.9414D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002143   -0.000002507    0.000069372
      2        6           0.000028839    0.000120120   -0.000010752
      3        6           0.000002723   -0.000064182    0.000045120
      4        6           0.000087249   -0.000204847    0.000063173
      5        7          -0.000094098    0.000233362    0.000016749
      6        6           0.000075131    0.000011131    0.000134119
      7        6           0.000011921    0.000131439    0.000006952
      8        7          -0.000131687    0.000017821   -0.000314507
      9        6           0.000060698   -0.000026178    0.000025084
     10        6          -0.000120906   -0.000103925   -0.000199370
     11        8           0.000077017    0.000047583    0.000125707
     12        7          -0.000117854   -0.000271549   -0.000086103
     13        6          -0.000008214    0.000136814   -0.000019379
     14        6           0.000087647   -0.000244693   -0.000112775
     15        8          -0.000043159   -0.000085605    0.000046641
     16        7          -0.000078054   -0.000212144   -0.000150913
     17        6           0.000032175    0.000172796    0.000012576
     18        6           0.000018346    0.000062126    0.000120065
     19        6          -0.000017965    0.000015324    0.000009564
     20        6           0.000020507   -0.000001884    0.000035754
     21        6           0.000043642    0.000044418   -0.000015139
     22        6          -0.000057176   -0.000035422    0.000000604
     23        6           0.000005154   -0.000003642   -0.000004157
     24        6           0.000015505    0.000026542   -0.000040332
     25        6          -0.000155573    0.000205323   -0.000182189
     26        6          -0.000341248   -0.000103337   -0.000070692
     27        8           0.000407323   -0.000033427    0.000034487
     28        6           0.000205449    0.000017317    0.000118901
     29        6          -0.000139560   -0.000029603    0.000006367
     30        6           0.000107482    0.000101636    0.000020294
     31        6           0.000053216    0.000046955   -0.000023606
     32        6          -0.000029699    0.000006180    0.000008285
     33        6          -0.000020119    0.000058772    0.000030382
     34        6           0.000067648   -0.000039325   -0.000039663
     35        6          -0.000105413   -0.000065353    0.000040379
     36        7           0.000059944    0.000000286    0.000052374
     37        6           0.000003404    0.000148238    0.000244599
     38        8           0.000029007   -0.000188373    0.000032852
     39        8          -0.000136975   -0.000048016   -0.000303726
     40        6           0.000214362    0.000014407    0.000101933
     41        6          -0.000344991   -0.000092885   -0.000382210
     42        6           0.000286088    0.000172883    0.000017499
     43        7          -0.000022280   -0.000131565    0.000151489
     44        6          -0.000003085    0.000168785   -0.000095925
     45       16           0.000109814    0.000131707    0.000348310
     46        6          -0.000181511   -0.000156913    0.000159519
     47        6           0.000180713   -0.000129694   -0.000200909
     48        6          -0.000469571    0.000220409   -0.000117482
     49        6           0.000077157   -0.000130588   -0.000049496
     50       16           0.000018721    0.000042475    0.000041136
     51        1          -0.000024205    0.000039433   -0.000011662
     52        1          -0.000007971   -0.000021834    0.000005281
     53        1           0.000011853   -0.000003516   -0.000020863
     54        1           0.000017394   -0.000024461   -0.000057596
     55        1          -0.000021286   -0.000010228   -0.000021498
     56        1           0.000008182    0.000012664   -0.000018559
     57        1          -0.000001177    0.000002004   -0.000001581
     58        1           0.000022589    0.000111333    0.000034593
     59        1          -0.000066327   -0.000048436    0.000001232
     60        1          -0.000006782   -0.000005971   -0.000006566
     61        1          -0.000025087   -0.000000488    0.000008969
     62        1           0.000029760    0.000016576   -0.000030695
     63        1           0.000016984    0.000083162    0.000180838
     64        1           0.000009701    0.000110713    0.000032222
     65        1           0.000073635   -0.000024679    0.000005955
     66        1           0.000051337    0.000021836   -0.000127660
     67        1          -0.000012145   -0.000024900    0.000002778
     68        1          -0.000021317    0.000007651    0.000040079
     69        1          -0.000016163   -0.000000849   -0.000004447
     70        1          -0.000007032   -0.000003219    0.000008023
     71        1           0.000006783    0.000002261    0.000005915
     72        1           0.000000947    0.000000352    0.000000919
     73        1          -0.000004557   -0.000006857    0.000018030
     74        1           0.000037353   -0.000039226    0.000096958
     75        1           0.000040628    0.000055301    0.000026966
     76        1           0.000063841   -0.000039910   -0.000044867
     77        1           0.000041790   -0.000166976    0.000132305
     78        1           0.000144467   -0.000089297   -0.000110764
     79        1           0.000106682   -0.000028122    0.000060915
     80        1          -0.000015408   -0.000033858    0.000057182
     81        1          -0.000030238   -0.000034873    0.000013834
     82        1           0.000008365   -0.000005239   -0.000005085
     83        1          -0.000000321   -0.000006374   -0.000006544
     84        1          -0.000011947   -0.000004264    0.000005153
     85        1           0.000028179    0.000003286   -0.000000414
     86        1          -0.000234315    0.000072712   -0.000051531
     87        1          -0.000052175   -0.000123194   -0.000193896
     88        1           0.000010368   -0.000001589    0.000009654
     89        1          -0.000075548    0.000006394   -0.000038795
     90        1           0.000008632    0.000070292    0.000035873
     91        1           0.000074549   -0.000005323   -0.000014125
     92        1           0.000055377   -0.000032121    0.000011823
     93        1          -0.000022601   -0.000141068   -0.000086432
     94        1          -0.000088234   -0.000021667    0.000033870
     95        1          -0.000049232    0.000028544   -0.000031485
     96        1           0.000065405    0.000406740    0.000238935
     97        1           0.000102660   -0.000045425    0.000053439
     98        1          -0.000008992   -0.000006481    0.000062360
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000469571 RMS     0.000106784

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001543520 RMS     0.000192297
 Search for a local minimum.
 Step number  76 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   68   69   71   70   73
                                                     72   74   75   76
 DE= -2.28D-05 DEPred=-3.52D-05 R= 6.49D-01
 SS=  1.41D+00  RLast= 7.82D-02 DXNew= 1.3160D-01 2.3475D-01
 Trust test= 6.49D-01 RLast= 7.82D-02 DXMaxT set to 1.32D-01
     Eigenvalues ---    0.00056   0.00085   0.00185   0.00206   0.00243
     Eigenvalues ---    0.00309   0.00363   0.00408   0.00543   0.00619
     Eigenvalues ---    0.00666   0.00738   0.00797   0.00876   0.00887
     Eigenvalues ---    0.00929   0.00987   0.01087   0.01185   0.01298
     Eigenvalues ---    0.01300   0.01377   0.01422   0.01449   0.01506
     Eigenvalues ---    0.01583   0.01617   0.01702   0.01736   0.01755
     Eigenvalues ---    0.01927   0.01986   0.02101   0.02118   0.02194
     Eigenvalues ---    0.02203   0.02220   0.02252   0.02258   0.02268
     Eigenvalues ---    0.02291   0.02330   0.02373   0.02404   0.02409
     Eigenvalues ---    0.02415   0.02447   0.02482   0.02485   0.02518
     Eigenvalues ---    0.02527   0.02528   0.02560   0.02679   0.02703
     Eigenvalues ---    0.02923   0.02973   0.03366   0.03926   0.04009
     Eigenvalues ---    0.04062   0.04153   0.04193   0.04323   0.04498
     Eigenvalues ---    0.04593   0.04725   0.04948   0.04973   0.05088
     Eigenvalues ---    0.05169   0.05202   0.05260   0.05364   0.05405
     Eigenvalues ---    0.05453   0.05508   0.05529   0.05577   0.05646
     Eigenvalues ---    0.05713   0.05727   0.05820   0.05847   0.05871
     Eigenvalues ---    0.05980   0.05993   0.06124   0.06209   0.06296
     Eigenvalues ---    0.06530   0.06783   0.06906   0.07093   0.07126
     Eigenvalues ---    0.07529   0.08298   0.08386   0.08578   0.08887
     Eigenvalues ---    0.09293   0.09663   0.09880   0.10308   0.11603
     Eigenvalues ---    0.12128   0.12900   0.13127   0.13294   0.13445
     Eigenvalues ---    0.13797   0.14077   0.14507   0.15500   0.15654
     Eigenvalues ---    0.15697   0.15875   0.15966   0.15976   0.15982
     Eigenvalues ---    0.15985   0.15991   0.15995   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16004   0.16010   0.16015
     Eigenvalues ---    0.16051   0.16073   0.16097   0.16136   0.16180
     Eigenvalues ---    0.16250   0.16518   0.16710   0.16881   0.17240
     Eigenvalues ---    0.17828   0.17986   0.18334   0.18761   0.19147
     Eigenvalues ---    0.19854   0.19929   0.20574   0.20950   0.21798
     Eigenvalues ---    0.21830   0.22000   0.22001   0.22002   0.22040
     Eigenvalues ---    0.22216   0.22411   0.22682   0.23058   0.23440
     Eigenvalues ---    0.23493   0.23596   0.23694   0.24068   0.24324
     Eigenvalues ---    0.24635   0.24733   0.24830   0.24991   0.25096
     Eigenvalues ---    0.25259   0.25470   0.25935   0.26931   0.27905
     Eigenvalues ---    0.28468   0.29384   0.29706   0.29860   0.29944
     Eigenvalues ---    0.30084   0.30194   0.30327   0.30437   0.30661
     Eigenvalues ---    0.30675   0.30830   0.31333   0.31408   0.31429
     Eigenvalues ---    0.31498   0.31525   0.31658   0.31714   0.31875
     Eigenvalues ---    0.31955   0.32184   0.32289   0.32373   0.32558
     Eigenvalues ---    0.32596   0.32658   0.32752   0.32824   0.32877
     Eigenvalues ---    0.32990   0.33027   0.33058   0.33150   0.33162
     Eigenvalues ---    0.33210   0.33425   0.33538   0.33542   0.33674
     Eigenvalues ---    0.33726   0.33811   0.33908   0.33968   0.34025
     Eigenvalues ---    0.34150   0.34234   0.34276   0.34300   0.34392
     Eigenvalues ---    0.34517   0.34530   0.34695   0.34709   0.35009
     Eigenvalues ---    0.36241   0.36308   0.36368   0.36428   0.36601
     Eigenvalues ---    0.36652   0.36845   0.36953   0.37014   0.37262
     Eigenvalues ---    0.38443   0.38827   0.39337   0.40100   0.40970
     Eigenvalues ---    0.41575   0.42020   0.42496   0.42806   0.43099
     Eigenvalues ---    0.43380   0.43799   0.44696   0.45241   0.45815
     Eigenvalues ---    0.46351   0.47566   0.47965   0.48361   0.48381
     Eigenvalues ---    0.48671   0.48949   0.49328   0.49531   0.50268
     Eigenvalues ---    0.50783   0.51063   0.51249   0.51412   0.56411
     Eigenvalues ---    0.58594   0.58995   0.61718   0.62202   0.63968
     Eigenvalues ---    0.66789   0.71969   0.77942   0.80748   0.86417
     Eigenvalues ---    1.56494   1.86471   4.306521000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    76   75   74
 RFO step:  Lambda=-2.28737845D-05.
 DIIS coeffs:      0.95012     -0.30812      0.35801
 Maximum step size (   0.132) exceeded in Quadratic search.
    -- Step size scaled by   0.727
 Iteration  1 RMS(Cart)=  0.03907135 RMS(Int)=  0.00014989
 Iteration  2 RMS(Cart)=  0.00049546 RMS(Int)=  0.00000051
 Iteration  3 RMS(Cart)=  0.00000006 RMS(Int)=  0.00000051
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89435   0.00004   0.00002   0.00011   0.00013   2.89448
    R2        2.07201   0.00000   0.00000  -0.00003  -0.00004   2.07198
    R3        2.07382   0.00000  -0.00001   0.00000  -0.00001   2.07382
    R4        2.07195  -0.00001   0.00001  -0.00004  -0.00004   2.07191
    R5        2.89460   0.00002  -0.00002   0.00025   0.00022   2.89483
    R6        2.82756   0.00003  -0.00001   0.00024   0.00022   2.82779
    R7        2.13133   0.00001   0.00001  -0.00010  -0.00008   2.13125
    R8        2.07212  -0.00001   0.00000  -0.00010  -0.00010   2.07201
    R9        2.07352   0.00001   0.00000   0.00006   0.00006   2.07359
   R10        2.07191   0.00000   0.00002  -0.00006  -0.00004   2.07187
   R11        2.47745   0.00014   0.00007   0.00038   0.00045   2.47790
   R12        3.37472  -0.00003  -0.00021  -0.00028  -0.00049   3.37423
   R13        2.68296   0.00007  -0.00005  -0.00014  -0.00019   2.68277
   R14        2.83987   0.00026  -0.00004   0.00078   0.00074   2.84061
   R15        2.58063   0.00015   0.00003   0.00034   0.00037   2.58100
   R16        2.80626   0.00036  -0.00016   0.00095   0.00079   2.80705
   R17        2.11700   0.00000   0.00005  -0.00008  -0.00004   2.11696
   R18        2.11753  -0.00005   0.00012  -0.00014  -0.00002   2.11751
   R19        2.81457   0.00004  -0.00005   0.00040   0.00035   2.81492
   R20        2.68025   0.00020  -0.00009   0.00097   0.00088   2.68112
   R21        2.08302   0.00000   0.00000   0.00002   0.00002   2.08304
   R22        2.09152   0.00000   0.00004   0.00005   0.00009   2.09161
   R23        2.08349   0.00002  -0.00003   0.00001  -0.00002   2.08347
   R24        2.31806  -0.00011   0.00000  -0.00003  -0.00003   2.31803
   R25        2.69812   0.00013  -0.00021   0.00000  -0.00021   2.69791
   R26        2.79853  -0.00009  -0.00009   0.00007  -0.00002   2.79851
   R27        1.94657   0.00015   0.00003   0.00019   0.00022   1.94679
   R28        2.91650  -0.00039  -0.00005  -0.00006  -0.00011   2.91639
   R29        2.94164   0.00002   0.00001   0.00038   0.00039   2.94204
   R30        2.13696  -0.00008  -0.00009  -0.00010  -0.00020   2.13677
   R31        2.31745  -0.00005   0.00002  -0.00029  -0.00027   2.31718
   R32        2.62675  -0.00015   0.00002   0.00093   0.00095   2.62770
   R33        2.81394  -0.00041  -0.00003   0.00006   0.00003   2.81397
   R34        1.92401   0.00006  -0.00003   0.00025   0.00021   1.92422
   R35        2.91934  -0.00020  -0.00008  -0.00061  -0.00069   2.91866
   R36        2.91617  -0.00014   0.00020   0.00033   0.00054   2.91671
   R37        2.13526   0.00003   0.00010   0.00022   0.00032   2.13559
   R38        2.84150  -0.00004   0.00007  -0.00006   0.00001   2.84151
   R39        2.10406  -0.00002   0.00000  -0.00012  -0.00012   2.10394
   R40        2.09799   0.00000  -0.00001   0.00002   0.00000   2.09799
   R41        2.65335   0.00000   0.00003   0.00004   0.00007   2.65342
   R42        2.65229  -0.00002  -0.00003  -0.00002  -0.00004   2.65224
   R43        2.64049  -0.00001  -0.00002   0.00000  -0.00003   2.64047
   R44        2.05984  -0.00001   0.00001  -0.00001  -0.00001   2.05983
   R45        2.64235   0.00005   0.00003   0.00013   0.00016   2.64251
   R46        2.05906  -0.00001   0.00000  -0.00002  -0.00002   2.05904
   R47        2.64279  -0.00001  -0.00002  -0.00003  -0.00005   2.64273
   R48        2.05620   0.00000   0.00000  -0.00001  -0.00001   2.05619
   R49        2.64069   0.00000   0.00003   0.00001   0.00004   2.64073
   R50        2.05851   0.00000  -0.00001   0.00001   0.00000   2.05851
   R51        2.05564   0.00001  -0.00001   0.00005   0.00004   2.05568
   R52        2.89608  -0.00006   0.00012  -0.00011   0.00000   2.89608
   R53        2.09815   0.00007  -0.00012   0.00032   0.00020   2.09835
   R54        2.09535  -0.00005  -0.00011  -0.00009  -0.00020   2.09516
   R55        2.72857   0.00042  -0.00006   0.00012   0.00006   2.72863
   R56        2.94370  -0.00017  -0.00006   0.00004  -0.00001   2.94369
   R57        2.11847  -0.00001   0.00015  -0.00040  -0.00025   2.11822
   R58        1.88031   0.00002   0.00005  -0.00053  -0.00047   1.87984
   R59        2.90482  -0.00014   0.00008  -0.00017  -0.00009   2.90474
   R60        2.82972   0.00006   0.00000  -0.00014  -0.00014   2.82958
   R61        2.12633   0.00000  -0.00004   0.00040   0.00036   2.12670
   R62        2.84180  -0.00006   0.00004  -0.00018  -0.00013   2.84167
   R63        2.11311  -0.00001   0.00005   0.00025   0.00030   2.11340
   R64        2.09956  -0.00003  -0.00003  -0.00026  -0.00029   2.09927
   R65        2.65215   0.00001   0.00001  -0.00008  -0.00007   2.65208
   R66        2.65101   0.00007   0.00000   0.00018   0.00017   2.65118
   R67        2.63910   0.00002   0.00002   0.00005   0.00007   2.63917
   R68        2.06236  -0.00004   0.00000  -0.00001  -0.00001   2.06235
   R69        2.64405   0.00000  -0.00001  -0.00002  -0.00003   2.64402
   R70        2.05750  -0.00001  -0.00001  -0.00003  -0.00003   2.05747
   R71        2.64192   0.00006   0.00002   0.00015   0.00017   2.64209
   R72        2.05508   0.00000   0.00001  -0.00003  -0.00003   2.05505
   R73        2.64174  -0.00003  -0.00002  -0.00010  -0.00011   2.64163
   R74        2.05676   0.00001   0.00000   0.00003   0.00003   2.05679
   R75        2.05358   0.00001  -0.00001   0.00003   0.00002   2.05360
   R76        2.63917   0.00014  -0.00014   0.00027   0.00013   2.63931
   R77        1.94991  -0.00016  -0.00012   0.00051   0.00039   1.95030
   R78        2.30802  -0.00015  -0.00003  -0.00023  -0.00026   2.30776
   R79        2.62636  -0.00025   0.00020  -0.00041  -0.00020   2.62616
   R80        2.76601   0.00025  -0.00008  -0.00065  -0.00072   2.76529
   R81        2.78941  -0.00002   0.00011  -0.00052  -0.00041   2.78900
   R82        2.09629  -0.00021  -0.00025   0.00011  -0.00014   2.09615
   R83        2.09610  -0.00001   0.00008   0.00010   0.00019   2.09628
   R84        2.58505   0.00020  -0.00008   0.00014   0.00006   2.58511
   R85        3.30825  -0.00035  -0.00004  -0.00038  -0.00042   3.30783
   R86        2.66572  -0.00017   0.00010  -0.00030  -0.00020   2.66552
   R87        2.04980  -0.00006   0.00001   0.00002   0.00004   2.04983
   R88        2.49585  -0.00001  -0.00011   0.00009  -0.00002   2.49583
   R89        3.32431   0.00009   0.00009   0.00001   0.00010   3.32441
   R90        2.05329  -0.00003   0.00006  -0.00004   0.00001   2.05330
   R91        2.88820  -0.00039  -0.00002  -0.00022  -0.00024   2.88797
   R92        2.89534  -0.00051   0.00004  -0.00113  -0.00109   2.89425
   R93        2.12244   0.00006   0.00011   0.00006   0.00017   2.12261
   R94        2.07585  -0.00002   0.00009   0.00023   0.00032   2.07617
   R95        2.07943   0.00006  -0.00019  -0.00030  -0.00049   2.07894
   R96        2.07156   0.00003  -0.00005   0.00005   0.00000   2.07156
   R97        2.07587  -0.00005   0.00003  -0.00013  -0.00010   2.07577
   R98        2.08329  -0.00019   0.00016  -0.00098  -0.00082   2.08247
   R99        2.06991   0.00005  -0.00003   0.00010   0.00007   2.06999
   R100       3.28040   0.00003  -0.00014  -0.00014  -0.00027   3.28012
   R101       2.03760   0.00003   0.00004   0.00002   0.00006   2.03766
    A1        1.93476   0.00000   0.00000   0.00001   0.00000   1.93476
    A2        1.94442   0.00000   0.00001   0.00000   0.00000   1.94442
    A3        1.96183  -0.00002  -0.00005  -0.00004  -0.00009   1.96174
    A4        1.87420   0.00000   0.00001  -0.00030  -0.00029   1.87391
    A5        1.86930   0.00002   0.00005   0.00027   0.00032   1.86962
    A6        1.87512   0.00001   0.00000   0.00006   0.00006   1.87518
    A7        1.95133   0.00004  -0.00004   0.00008   0.00004   1.95137
    A8        1.92742  -0.00003  -0.00009  -0.00017  -0.00027   1.92716
    A9        1.88820   0.00001   0.00004   0.00055   0.00058   1.88878
   A10        1.92611  -0.00002   0.00012  -0.00034  -0.00022   1.92590
   A11        1.88952  -0.00001  -0.00001  -0.00007  -0.00008   1.88944
   A12        1.87900   0.00001  -0.00001  -0.00003  -0.00004   1.87896
   A13        1.96056   0.00000   0.00002   0.00014   0.00016   1.96072
   A14        1.94537   0.00000   0.00000  -0.00020  -0.00020   1.94517
   A15        1.93486   0.00000  -0.00001  -0.00004  -0.00005   1.93481
   A16        1.87481   0.00000   0.00002   0.00002   0.00004   1.87485
   A17        1.86982   0.00001  -0.00004   0.00037   0.00033   1.87015
   A18        1.87423  -0.00001   0.00001  -0.00028  -0.00027   1.87395
   A19        2.21048  -0.00006  -0.00011  -0.00044  -0.00055   2.20993
   A20        2.11651   0.00001   0.00015   0.00023   0.00038   2.11689
   A21        1.95619   0.00005  -0.00004   0.00021   0.00017   1.95636
   A22        1.96159  -0.00004   0.00003  -0.00021  -0.00018   1.96141
   A23        2.05302  -0.00005  -0.00024  -0.00025  -0.00049   2.05253
   A24        2.01120  -0.00003  -0.00007  -0.00003  -0.00009   2.01111
   A25        2.21896   0.00008   0.00031   0.00027   0.00058   2.21954
   A26        1.97602   0.00029  -0.00001   0.00219   0.00218   1.97820
   A27        1.92415  -0.00012  -0.00008  -0.00081  -0.00089   1.92326
   A28        1.92101  -0.00003   0.00001  -0.00061  -0.00060   1.92041
   A29        1.91989  -0.00003   0.00013   0.00002   0.00015   1.92004
   A30        1.88062  -0.00011   0.00010  -0.00052  -0.00042   1.88020
   A31        1.83652  -0.00002  -0.00016  -0.00047  -0.00063   1.83589
   A32        1.98867   0.00001   0.00000  -0.00027  -0.00028   1.98840
   A33        2.11482   0.00008   0.00026  -0.00020   0.00006   2.11488
   A34        2.01094  -0.00008   0.00010  -0.00086  -0.00076   2.01018
   A35        1.89508  -0.00001   0.00005  -0.00021  -0.00016   1.89492
   A36        1.92534  -0.00005   0.00000  -0.00017  -0.00017   1.92518
   A37        1.96530   0.00007  -0.00009   0.00070   0.00061   1.96591
   A38        1.89019   0.00000  -0.00006  -0.00043  -0.00048   1.88970
   A39        1.89764  -0.00002   0.00014  -0.00007   0.00007   1.89771
   A40        1.88878   0.00000  -0.00004   0.00013   0.00009   1.88886
   A41        2.12978  -0.00006  -0.00008  -0.00017  -0.00025   2.12953
   A42        2.05085   0.00012   0.00009   0.00061   0.00070   2.05155
   A43        2.10174  -0.00007  -0.00002  -0.00034  -0.00036   2.10139
   A44        2.02290   0.00004   0.00016   0.00038   0.00054   2.02344
   A45        2.06312   0.00003   0.00005   0.00099   0.00104   2.06416
   A46        1.98793  -0.00005   0.00005   0.00033   0.00038   1.98832
   A47        1.92495   0.00039  -0.00007  -0.00091  -0.00099   1.92396
   A48        1.90383   0.00014   0.00003  -0.00109  -0.00105   1.90278
   A49        1.87318  -0.00015   0.00003   0.00027   0.00030   1.87348
   A50        1.94545  -0.00078   0.00003   0.00080   0.00082   1.94628
   A51        1.91203   0.00008  -0.00001  -0.00025  -0.00026   1.91177
   A52        1.90285   0.00034  -0.00001   0.00118   0.00118   1.90402
   A53        2.15630  -0.00003  -0.00009  -0.00081  -0.00090   2.15540
   A54        2.01416   0.00014   0.00003   0.00236   0.00239   2.01655
   A55        2.11248  -0.00011   0.00007  -0.00160  -0.00153   2.11095
   A56        2.12386  -0.00074   0.00007  -0.00307  -0.00300   2.12086
   A57        2.12402   0.00032  -0.00004   0.00095   0.00091   2.12493
   A58        2.03510   0.00043  -0.00001   0.00202   0.00201   2.03712
   A59        1.91956   0.00058   0.00003   0.00067   0.00070   1.92026
   A60        1.92124  -0.00091  -0.00003  -0.00054  -0.00057   1.92067
   A61        1.87823   0.00006  -0.00001   0.00003   0.00002   1.87825
   A62        1.96173   0.00018   0.00007  -0.00032  -0.00024   1.96149
   A63        1.88570  -0.00024   0.00016  -0.00078  -0.00062   1.88509
   A64        1.89498   0.00034  -0.00022   0.00094   0.00072   1.89570
   A65        1.99643  -0.00003  -0.00011  -0.00044  -0.00054   1.99588
   A66        1.89464   0.00002   0.00007   0.00010   0.00017   1.89481
   A67        1.89991  -0.00002   0.00007  -0.00020  -0.00013   1.89978
   A68        1.91827   0.00000   0.00000   0.00013   0.00013   1.91841
   A69        1.92256   0.00002  -0.00004   0.00015   0.00011   1.92267
   A70        1.82386   0.00001   0.00000   0.00033   0.00033   1.82419
   A71        2.09411   0.00000  -0.00001   0.00002   0.00000   2.09412
   A72        2.10364  -0.00001   0.00002  -0.00001   0.00001   2.10365
   A73        2.08541   0.00001  -0.00001   0.00000  -0.00001   2.08539
   A74        2.09685   0.00000   0.00001   0.00002   0.00002   2.09687
   A75        2.09745  -0.00001  -0.00003  -0.00009  -0.00012   2.09733
   A76        2.08877   0.00001   0.00002   0.00008   0.00010   2.08887
   A77        2.09867  -0.00001   0.00000  -0.00004  -0.00005   2.09863
   A78        2.09046   0.00001   0.00002   0.00007   0.00009   2.09054
   A79        2.09404   0.00000  -0.00002  -0.00002  -0.00004   2.09401
   A80        2.08981   0.00000   0.00000   0.00002   0.00002   2.08983
   A81        2.09687  -0.00001  -0.00002  -0.00008  -0.00010   2.09677
   A82        2.09649   0.00001   0.00003   0.00006   0.00008   2.09657
   A83        2.09917   0.00000   0.00000  -0.00001  -0.00001   2.09916
   A84        2.09286   0.00000   0.00001  -0.00003  -0.00002   2.09284
   A85        2.09114   0.00000  -0.00001   0.00004   0.00003   2.09117
   A86        2.09640   0.00000   0.00000   0.00003   0.00003   2.09643
   A87        2.09741   0.00001   0.00002   0.00008   0.00010   2.09750
   A88        2.08936  -0.00001  -0.00002  -0.00011  -0.00013   2.08923
   A89        1.94304   0.00004  -0.00037   0.00078   0.00041   1.94345
   A90        1.93486  -0.00010  -0.00002  -0.00063  -0.00065   1.93420
   A91        1.90704   0.00010   0.00009   0.00064   0.00073   1.90777
   A92        1.90680  -0.00021   0.00014  -0.00046  -0.00032   1.90648
   A93        1.93582   0.00014   0.00017   0.00035   0.00051   1.93633
   A94        1.83346   0.00004   0.00002  -0.00076  -0.00074   1.83272
   A95        1.90416  -0.00008  -0.00031   0.00221   0.00190   1.90607
   A96        2.01213  -0.00016   0.00005  -0.00015  -0.00010   2.01203
   A97        1.93917   0.00000  -0.00007  -0.00047  -0.00054   1.93863
   A98        1.77859   0.00008   0.00064   0.00125   0.00189   1.78048
   A99        1.89357  -0.00003  -0.00010  -0.00254  -0.00264   1.89093
   A100       1.92662   0.00019  -0.00017  -0.00030  -0.00047   1.92615
   A101       1.92514   0.00038  -0.00034   0.00230   0.00196   1.92710
   A102       1.94998  -0.00001  -0.00014  -0.00136  -0.00150   1.94848
   A103       1.88804   0.00056   0.00034   0.00063   0.00097   1.88900
   A104       1.90631  -0.00028   0.00009   0.00035   0.00044   1.90675
   A105       1.95562  -0.00042  -0.00036   0.00007  -0.00029   1.95533
   A106       1.91763   0.00016   0.00015   0.00021   0.00036   1.91799
   A107       1.84264  -0.00001  -0.00006   0.00020   0.00014   1.84278
   A108       1.94832   0.00002   0.00015  -0.00027  -0.00012   1.94820
   A109       1.92231  -0.00010  -0.00009  -0.00044  -0.00053   1.92178
   A110       1.91096  -0.00002   0.00003   0.00092   0.00095   1.91191
   A111       1.92220   0.00003  -0.00004  -0.00059  -0.00063   1.92157
   A112       1.92517   0.00003  -0.00015   0.00092   0.00078   1.92595
   A113       1.83141   0.00004   0.00009  -0.00055  -0.00046   1.83095
   A114       2.09252  -0.00003  -0.00005  -0.00025  -0.00030   2.09222
   A115       2.10071   0.00003   0.00004   0.00024   0.00028   2.10099
   A116       2.08995  -0.00001   0.00001   0.00002   0.00002   2.08998
   A117       2.09459   0.00000   0.00000   0.00002   0.00003   2.09462
   A118       2.08818   0.00002   0.00001   0.00000   0.00000   2.08818
   A119       2.10039  -0.00002  -0.00001  -0.00002  -0.00003   2.10036
   A120       2.09820   0.00000  -0.00002  -0.00004  -0.00005   2.09814
   A121       2.09144  -0.00001   0.00000   0.00004   0.00004   2.09148
   A122       2.09355   0.00000   0.00002   0.00000   0.00001   2.09356
   A123       2.09127   0.00000   0.00001   0.00004   0.00005   2.09132
   A124       2.09547   0.00001   0.00001  -0.00001   0.00000   2.09547
   A125       2.09644  -0.00001  -0.00001  -0.00003  -0.00005   2.09640
   A126       2.09869   0.00000   0.00001  -0.00003  -0.00002   2.09867
   A127       2.09345  -0.00001  -0.00002  -0.00005  -0.00008   2.09337
   A128       2.09105   0.00001   0.00001   0.00008   0.00009   2.09114
   A129       2.09367   0.00000  -0.00001  -0.00001  -0.00003   2.09364
   A130       2.09931  -0.00003  -0.00003  -0.00019  -0.00022   2.09909
   A131       2.09021   0.00003   0.00005   0.00021   0.00025   2.09046
   A132       2.06960   0.00063  -0.00003  -0.00015  -0.00018   2.06942
   A133       1.96893  -0.00017   0.00042   0.00009   0.00051   1.96944
   A134       2.01772  -0.00015   0.00045  -0.00029   0.00017   2.01789
   A135       2.25164   0.00000  -0.00008   0.00016   0.00007   2.25171
   A136       1.90651  -0.00030   0.00012   0.00006   0.00018   1.90670
   A137       2.12385   0.00028  -0.00003  -0.00017  -0.00021   2.12365
   A138       2.01792   0.00135  -0.00051  -0.00027  -0.00078   2.01714
   A139       1.92343   0.00154  -0.00015  -0.00083  -0.00098   1.92245
   A140       1.75890  -0.00063   0.00025   0.00038   0.00062   1.75953
   A141       1.89013  -0.00043   0.00021  -0.00018   0.00003   1.89016
   A142       1.98296  -0.00028   0.00009  -0.00007   0.00002   1.98297
   A143       1.96706  -0.00033  -0.00021   0.00041   0.00019   1.96726
   A144       1.92846   0.00012  -0.00012   0.00025   0.00013   1.92860
   A145       2.27726  -0.00045   0.00023   0.00030   0.00052   2.27778
   A146       2.09146   0.00047  -0.00030  -0.00022  -0.00052   2.09094
   A147       1.91428  -0.00002   0.00008  -0.00016  -0.00009   1.91420
   A148       2.01257   0.00005  -0.00008   0.00014   0.00006   2.01263
   A149       2.21988  -0.00007   0.00009  -0.00048  -0.00039   2.21949
   A150       2.05070   0.00002  -0.00001   0.00036   0.00034   2.05104
   A151       1.94633  -0.00005   0.00006   0.00003   0.00009   1.94642
   A152       1.98206  -0.00002  -0.00003  -0.00021  -0.00024   1.98182
   A153       2.18247  -0.00003   0.00006  -0.00039  -0.00033   2.18214
   A154       2.11798   0.00005  -0.00002   0.00044   0.00042   2.11840
   A155       1.56928   0.00004  -0.00002   0.00018   0.00016   1.56944
   A156       1.96720  -0.00003   0.00009  -0.00093  -0.00084   1.96636
   A157       1.92538   0.00025  -0.00008   0.00144   0.00137   1.92675
   A158       1.85641  -0.00005   0.00000  -0.00022  -0.00022   1.85619
   A159       1.93385  -0.00047   0.00012  -0.00014  -0.00002   1.93383
   A160       1.88987   0.00013  -0.00023   0.00024   0.00001   1.88988
   A161       1.88750   0.00020   0.00009  -0.00042  -0.00033   1.88716
   A162       1.95646  -0.00002  -0.00007  -0.00064  -0.00071   1.95575
   A163       1.96917  -0.00022   0.00000   0.00009   0.00009   1.96926
   A164       1.94142   0.00011  -0.00025   0.00081   0.00056   1.94199
   A165       1.85482   0.00013  -0.00005   0.00124   0.00119   1.85601
   A166       1.86683  -0.00001   0.00000  -0.00173  -0.00173   1.86509
   A167       1.86890   0.00001   0.00040   0.00017   0.00056   1.86947
   A168       1.93063   0.00004   0.00005  -0.00051  -0.00046   1.93017
   A169       1.96390  -0.00054   0.00005  -0.00082  -0.00077   1.96313
   A170       1.96082   0.00015  -0.00001   0.00057   0.00056   1.96137
   A171       1.85749   0.00012  -0.00013  -0.00083  -0.00096   1.85652
   A172       1.86344  -0.00004   0.00015  -0.00022  -0.00007   1.86338
   A173       1.88174   0.00029  -0.00011   0.00181   0.00170   1.88344
   A174       1.91618   0.00002   0.00001   0.00007   0.00008   1.91626
   A175       2.23697   0.00002  -0.00001  -0.00009  -0.00011   2.23686
   A176       2.12995  -0.00004   0.00000   0.00005   0.00005   2.13001
   A177       1.57960   0.00001   0.00006  -0.00004   0.00002   1.57963
    D1        1.07376   0.00004   0.00050   0.00096   0.00146   1.07522
    D2       -3.05760   0.00001   0.00056   0.00046   0.00102  -3.05659
    D3       -1.00529   0.00002   0.00052   0.00065   0.00116  -1.00413
    D4       -3.12339   0.00003   0.00051   0.00058   0.00110  -3.12229
    D5       -0.97156   0.00001   0.00057   0.00008   0.00065  -0.97091
    D6        1.08075   0.00002   0.00053   0.00027   0.00080   1.08154
    D7       -1.01769   0.00003   0.00048   0.00063   0.00111  -1.01658
    D8        1.13413   0.00000   0.00054   0.00013   0.00067   1.13480
    D9       -3.09675   0.00001   0.00049   0.00032   0.00081  -3.09593
   D10        0.99399   0.00000  -0.00014   0.00341   0.00326   0.99725
   D11        3.09908  -0.00001  -0.00011   0.00339   0.00328   3.10236
   D12       -1.09734  -0.00002  -0.00010   0.00287   0.00277  -1.09457
   D13       -1.15858   0.00002  -0.00008   0.00382   0.00374  -1.15484
   D14        0.94651   0.00002  -0.00005   0.00380   0.00376   0.95027
   D15        3.03328   0.00001  -0.00004   0.00329   0.00325   3.03652
   D16        3.07226   0.00003  -0.00013   0.00409   0.00396   3.07621
   D17       -1.10584   0.00002  -0.00010   0.00407   0.00397  -1.10186
   D18        0.98093   0.00001  -0.00009   0.00355   0.00346   0.98439
   D19        2.07599  -0.00003  -0.00126  -0.00292  -0.00418   2.07181
   D20       -1.06967  -0.00001  -0.00135  -0.00132  -0.00267  -1.07234
   D21       -2.04080  -0.00002  -0.00130  -0.00317  -0.00447  -2.04527
   D22        1.09673   0.00001  -0.00138  -0.00158  -0.00296   1.09377
   D23        0.01802  -0.00004  -0.00125  -0.00346  -0.00471   0.01331
   D24       -3.12763  -0.00001  -0.00133  -0.00187  -0.00320  -3.13083
   D25       -3.14031  -0.00001   0.00012  -0.00028  -0.00015  -3.14046
   D26        0.00503  -0.00003   0.00020  -0.00175  -0.00155   0.00348
   D27        3.14150   0.00001  -0.00016   0.00023   0.00007   3.14157
   D28       -0.00361   0.00004  -0.00024   0.00161   0.00138  -0.00224
   D29        3.13346  -0.00001  -0.00018  -0.00032  -0.00050   3.13295
   D30       -0.00438   0.00001  -0.00004   0.00102   0.00098  -0.00340
   D31        1.84021   0.00003   0.00644   0.02186   0.02829   1.86850
   D32       -2.28393   0.00011   0.00654   0.02287   0.02941  -2.25453
   D33       -0.26564   0.00000   0.00630   0.02148   0.02778  -0.23786
   D34       -1.30565   0.00001   0.00628   0.02033   0.02661  -1.27904
   D35        0.85340   0.00008   0.00638   0.02135   0.02773   0.88112
   D36        2.87169  -0.00003   0.00614   0.01995   0.02610   2.89778
   D37        0.00151   0.00001  -0.00014   0.00023   0.00010   0.00161
   D38       -3.12689  -0.00004  -0.00007  -0.00238  -0.00245  -3.12934
   D39       -3.13591   0.00004   0.00002   0.00173   0.00175  -3.13416
   D40        0.01887  -0.00001   0.00009  -0.00089  -0.00080   0.01807
   D41       -1.25044  -0.00001   0.00033  -0.00104  -0.00071  -1.25115
   D42        1.27039  -0.00002   0.00094  -0.00352  -0.00258   1.26781
   D43        2.87136  -0.00003   0.00035  -0.00159  -0.00125   2.87012
   D44       -0.89099  -0.00004   0.00096  -0.00407  -0.00311  -0.89410
   D45        0.87816   0.00006   0.00041  -0.00077  -0.00036   0.87780
   D46       -2.88419   0.00005   0.00103  -0.00325  -0.00223  -2.88642
   D47       -1.20142   0.00001   0.00050  -0.00302  -0.00252  -1.20394
   D48        3.01298   0.00004   0.00054  -0.00228  -0.00174   3.01124
   D49        0.90089   0.00002   0.00066  -0.00280  -0.00215   0.89874
   D50        2.52267  -0.00004  -0.00013  -0.00092  -0.00105   2.52162
   D51        0.45388  -0.00001  -0.00010  -0.00018  -0.00027   0.45361
   D52       -1.65821  -0.00002   0.00002  -0.00071  -0.00068  -1.65889
   D53       -2.77607  -0.00002  -0.00065   0.00226   0.00161  -2.77445
   D54        0.40869  -0.00007  -0.00048  -0.00032  -0.00080   0.40789
   D55       -0.26257   0.00000  -0.00006  -0.00005  -0.00011  -0.26269
   D56        2.92218  -0.00005   0.00011  -0.00264  -0.00253   2.91965
   D57        2.84690  -0.00006  -0.00036  -0.00022  -0.00058   2.84632
   D58        0.39476  -0.00006  -0.00075  -0.00276  -0.00351   0.39125
   D59       -0.25226  -0.00011  -0.00019  -0.00276  -0.00295  -0.25521
   D60       -2.70439  -0.00012  -0.00058  -0.00531  -0.00589  -2.71028
   D61       -1.44004  -0.00030   0.00048  -0.01190  -0.01143  -1.45146
   D62        2.70102   0.00033   0.00047  -0.01159  -0.01112   2.68990
   D63        0.64180  -0.00007   0.00044  -0.01256  -0.01212   0.62968
   D64        1.04152  -0.00026   0.00085  -0.00921  -0.00836   1.03316
   D65       -1.10061   0.00037   0.00084  -0.00889  -0.00806  -1.10866
   D66        3.12336  -0.00003   0.00081  -0.00987  -0.00906   3.11430
   D67       -0.53664  -0.00023   0.00025   0.00784   0.00809  -0.52856
   D68        2.62884   0.00003  -0.00029   0.01030   0.01001   2.63884
   D69        1.58090  -0.00031   0.00026   0.00638   0.00663   1.58753
   D70       -1.53680  -0.00005  -0.00028   0.00883   0.00855  -1.52825
   D71       -2.59472  -0.00034   0.00026   0.00821   0.00847  -2.58625
   D72        0.57076  -0.00008  -0.00028   0.01067   0.01039   0.58114
   D73        1.24111   0.00001  -0.00151  -0.00696  -0.00847   1.23265
   D74       -2.87026  -0.00043  -0.00134  -0.00673  -0.00806  -2.87833
   D75       -0.82728  -0.00010  -0.00127  -0.00660  -0.00787  -0.83516
   D76       -0.88868  -0.00007  -0.00145  -0.00560  -0.00705  -0.89573
   D77        1.28313  -0.00051  -0.00129  -0.00536  -0.00665   1.27648
   D78       -2.95708  -0.00018  -0.00122  -0.00523  -0.00646  -2.96353
   D79       -3.00160   0.00011  -0.00146  -0.00658  -0.00804  -3.00964
   D80       -0.82979  -0.00034  -0.00129  -0.00635  -0.00764  -0.83743
   D81        1.21318   0.00000  -0.00122  -0.00622  -0.00745   1.20574
   D82        3.13717  -0.00076  -0.00015  -0.00240  -0.00256   3.13462
   D83       -0.02653  -0.00049   0.00169  -0.00840  -0.00671  -0.03324
   D84        0.01881  -0.00051  -0.00067  -0.00002  -0.00070   0.01812
   D85        3.13830  -0.00023   0.00117  -0.00602  -0.00485   3.13345
   D86        2.40210   0.00004   0.00165  -0.00956  -0.00791   2.39419
   D87       -1.71032   0.00004   0.00174  -0.00987  -0.00813  -1.71844
   D88        0.35191  -0.00002   0.00145  -0.00902  -0.00757   0.34435
   D89       -0.71846  -0.00022  -0.00010  -0.00385  -0.00395  -0.72241
   D90        1.45231  -0.00022  -0.00001  -0.00415  -0.00416   1.44815
   D91       -2.76865  -0.00028  -0.00030  -0.00330  -0.00360  -2.77225
   D92        1.03380  -0.00029  -0.00003   0.00120   0.00116   1.03497
   D93       -1.11524  -0.00029  -0.00002   0.00126   0.00124  -1.11400
   D94       -3.09071  -0.00030  -0.00010   0.00092   0.00082  -3.08989
   D95       -1.11337   0.00033  -0.00006   0.00162   0.00156  -1.11181
   D96        3.02077   0.00034  -0.00005   0.00168   0.00163   3.02240
   D97        1.04530   0.00033  -0.00013   0.00135   0.00122   1.04652
   D98        3.07934  -0.00004   0.00006   0.00116   0.00122   3.08055
   D99        0.93029  -0.00003   0.00007   0.00122   0.00129   0.93159
   D100      -1.04518  -0.00004  -0.00001   0.00089   0.00088  -1.04430
   D101       1.13537  -0.00047   0.00167  -0.00248  -0.00081   1.13456
   D102      -0.99116  -0.00015   0.00176  -0.00198  -0.00022  -0.99138
   D103      -3.00371  -0.00020   0.00169  -0.00108   0.00062  -3.00309
   D104      -3.00158  -0.00026   0.00173  -0.00222  -0.00049  -3.00207
   D105       1.15507   0.00006   0.00182  -0.00172   0.00010   1.15517
   D106      -0.85748   0.00001   0.00175  -0.00082   0.00094  -0.85654
   D107      -0.91650  -0.00023   0.00183  -0.00276  -0.00093  -0.91743
   D108      -3.04303   0.00009   0.00192  -0.00227  -0.00034  -3.04337
   D109       1.22760   0.00004   0.00185  -0.00136   0.00049   1.22810
   D110      -1.64335   0.00001  -0.00030   0.00344   0.00313  -1.64021
   D111       1.50640   0.00000  -0.00030   0.00301   0.00271   1.50911
   D112       0.49288   0.00001  -0.00028   0.00335   0.00307   0.49596
   D113      -2.64055   0.00001  -0.00028   0.00292   0.00264  -2.63791
   D114       2.49336   0.00003  -0.00029   0.00390   0.00361   2.49698
   D115      -0.64007   0.00003  -0.00029   0.00348   0.00318  -0.63689
   D116       3.13987   0.00000   0.00002  -0.00033  -0.00031   3.13956
   D117      -0.01772   0.00000   0.00006  -0.00051  -0.00045  -0.01816
   D118      -0.00980   0.00000   0.00002   0.00009   0.00011  -0.00968
   D119       3.11581   0.00000   0.00007  -0.00009  -0.00002   3.11578
   D120      -3.13909   0.00000   0.00001   0.00027   0.00029  -3.13880
   D121       0.01033  -0.00001   0.00002   0.00028   0.00030   0.01063
   D122       0.01062   0.00000   0.00001  -0.00015  -0.00014   0.01048
   D123      -3.12315  -0.00001   0.00002  -0.00015  -0.00013  -3.12328
   D124       0.00145   0.00000  -0.00004   0.00000  -0.00004   0.00141
   D125       3.13781   0.00000  -0.00007   0.00005  -0.00002   3.13779
   D126      -3.12423   0.00000  -0.00008   0.00018   0.00010  -3.12414
   D127       0.01213   0.00001  -0.00011   0.00023   0.00011   0.01224
   D128       0.00612   0.00000   0.00002  -0.00003  -0.00001   0.00612
   D129       3.14127   0.00000   0.00000   0.00006   0.00006   3.14132
   D130      -3.13023   0.00000   0.00005  -0.00008  -0.00002  -3.13025
   D131       0.00492   0.00000   0.00003   0.00001   0.00004   0.00496
   D132      -0.00530   0.00000   0.00001  -0.00003  -0.00002  -0.00532
   D133       3.13322   0.00001   0.00001   0.00000   0.00000   3.13323
   D134      -3.14044  -0.00001   0.00004  -0.00012  -0.00008  -3.14052
   D135      -0.00192   0.00000   0.00003  -0.00009  -0.00006  -0.00198
   D136      -0.00311   0.00000  -0.00003   0.00012   0.00009  -0.00301
   D137       3.13070   0.00001  -0.00004   0.00012   0.00008   3.13078
   D138       3.14156   0.00000  -0.00002   0.00009   0.00007  -3.14156
   D139      -0.00782   0.00000  -0.00003   0.00009   0.00006  -0.00776
   D140      -1.83971   0.00028   0.00061   0.01134   0.01195  -1.82776
   D141       2.45565   0.00032  -0.00002   0.00838   0.00836   2.46401
   D142       0.24718   0.00020   0.00024   0.00933   0.00957   0.25674
   D143       0.30302   0.00003   0.00043   0.01075   0.01117   0.31419
   D144      -1.68481   0.00008  -0.00020   0.00778   0.00758  -1.67722
   D145       2.38990  -0.00005   0.00006   0.00873   0.00879   2.39869
   D146       2.31597   0.00003   0.00063   0.00974   0.01038   2.32635
   D147       0.32815   0.00007   0.00001   0.00678   0.00679   0.33494
   D148      -1.88032  -0.00005   0.00026   0.00773   0.00799  -1.87233
   D149       1.24226  -0.00001   0.00582  -0.03942  -0.03360   1.20866
   D150      -2.90564  -0.00019   0.00608  -0.03787  -0.03179  -2.93744
   D151      -0.87264   0.00006   0.00615  -0.03863  -0.03248  -0.90512
   D152      -0.98330  -0.00008  -0.00121   0.00460   0.00340  -0.97990
   D153       3.13934   0.00007  -0.00089   0.00497   0.00408  -3.13976
   D154       1.14194  -0.00007  -0.00105   0.00421   0.00317   1.14511
   D155      -3.04277   0.00004  -0.00127   0.00119  -0.00008  -3.04286
   D156       1.07987   0.00019  -0.00096   0.00156   0.00060   1.08046
   D157      -0.91754   0.00005  -0.00111   0.00080  -0.00031  -0.91785
   D158       1.23155  -0.00005  -0.00141   0.00357   0.00216   1.23371
   D159      -0.92900   0.00010  -0.00110   0.00394   0.00284  -0.92615
   D160      -2.92640  -0.00004  -0.00125   0.00319   0.00193  -2.92447
   D161       2.97165  -0.00015   0.00183   0.00166   0.00348   2.97513
   D162      -1.17049  -0.00017   0.00181   0.00041   0.00222  -1.16827
   D163       0.83478  -0.00019   0.00189   0.00003   0.00192   0.83669
   D164      -1.18957   0.00026   0.00190   0.00155   0.00345  -1.18612
   D165       0.95147   0.00024   0.00189   0.00030   0.00219   0.95366
   D166       2.95674   0.00022   0.00197  -0.00009   0.00188   2.95862
   D167       0.85295   0.00010   0.00171   0.00198   0.00368   0.85663
   D168       2.99399   0.00008   0.00169   0.00073   0.00242   2.99641
   D169      -1.28392   0.00006   0.00177   0.00035   0.00212  -1.28181
   D170       1.14181   0.00032  -0.00058   0.00244   0.00186   1.14367
   D171      -1.29699  -0.00001  -0.00189   0.00302   0.00113  -1.29586
   D172      -1.01533   0.00022  -0.00040   0.00367   0.00327  -1.01206
   D173       2.82905  -0.00011  -0.00171   0.00425   0.00254   2.83159
   D174      -3.10238   0.00026  -0.00035   0.00325   0.00290  -3.09948
   D175       0.74200  -0.00007  -0.00166   0.00383   0.00217   0.74417
   D176       1.66397  -0.00002   0.00039   0.00014   0.00053   1.66450
   D177      -1.48059  -0.00002   0.00035   0.00042   0.00077  -1.47982
   D178      -0.47713   0.00007   0.00043   0.00130   0.00173  -0.47540
   D179       2.66149   0.00007   0.00039   0.00158   0.00197   2.66346
   D180      -2.49051  -0.00001   0.00042   0.00178   0.00220  -2.48831
   D181       0.64811  -0.00001   0.00038   0.00206   0.00244   0.65055
   D182       3.13626   0.00000  -0.00002   0.00015   0.00013   3.13639
   D183      -0.01227  -0.00001  -0.00006   0.00031   0.00026  -0.01201
   D184      -0.00238  -0.00001   0.00002  -0.00013  -0.00011  -0.00249
   D185       3.13227  -0.00001  -0.00002   0.00003   0.00002   3.13229
   D186      -3.13589   0.00000   0.00002  -0.00017  -0.00014  -3.13603
   D187       0.00633   0.00000   0.00003  -0.00024  -0.00021   0.00611
   D188       0.00274   0.00001  -0.00002   0.00011   0.00010   0.00284
   D189      -3.13823   0.00001  -0.00001   0.00004   0.00003  -3.13820
   D190       0.00013   0.00000  -0.00001   0.00006   0.00005   0.00018
   D191       3.14071   0.00000  -0.00001   0.00008   0.00007   3.14078
   D192      -3.13448   0.00001   0.00003  -0.00011  -0.00008  -3.13455
   D193       0.00610   0.00000   0.00002  -0.00008  -0.00006   0.00604
   D194       0.00177   0.00000  -0.00001   0.00003   0.00002   0.00179
   D195      -3.14078   0.00000  -0.00002   0.00004   0.00002  -3.14077
   D196      -3.13881   0.00000   0.00000   0.00000   0.00000  -3.13881
   D197       0.00183   0.00000  -0.00002   0.00001   0.00000   0.00183
   D198      -0.00140   0.00000   0.00001  -0.00004  -0.00003  -0.00144
   D199       3.14007   0.00000   0.00001  -0.00005  -0.00004   3.14002
   D200       3.14115   0.00000   0.00002  -0.00005  -0.00003   3.14112
   D201      -0.00057   0.00000   0.00003  -0.00006  -0.00004  -0.00061
   D202      -0.00086   0.00000   0.00000  -0.00003  -0.00002  -0.00088
   D203       3.14012   0.00000   0.00000   0.00005   0.00005   3.14017
   D204       3.14086   0.00000   0.00000  -0.00002  -0.00002   3.14085
   D205      -0.00135   0.00000   0.00000   0.00006   0.00005  -0.00129
   D206       0.57430   0.00001  -0.00191  -0.00685  -0.00876   0.56554
   D207      -2.61966  -0.00042  -0.00186  -0.00584  -0.00771  -2.62737
   D208       2.99416   0.00035  -0.00058  -0.00730  -0.00788   2.98628
   D209      -0.19980  -0.00008  -0.00053  -0.00629  -0.00682  -0.20663
   D210       3.09499   0.00091  -0.00066  -0.00070  -0.00136   3.09363
   D211      -0.09442   0.00051  -0.00062   0.00023  -0.00039  -0.09480
   D212      -1.15352  -0.00008   0.00084  -0.00243  -0.00158  -1.15511
   D213       3.02998  -0.00010   0.00068  -0.00219  -0.00151   3.02847
   D214       1.00548   0.00021   0.00062  -0.00257  -0.00196   1.00352
   D215      -2.05090   0.00008   0.00220   0.01905   0.02126  -2.02964
   D216       1.06804   0.00024   0.00239   0.01393   0.01633   1.08437
   D217      -0.09206   0.00010   0.00246   0.01896   0.02142  -0.07064
   D218       3.02688   0.00027   0.00265   0.01384   0.01649   3.04337
   D219       2.11862  -0.00025   0.00219   0.01960   0.02179   2.14041
   D220      -1.04562  -0.00008   0.00238   0.01448   0.01686  -1.02877
   D221       3.13641   0.00016   0.00012  -0.00521  -0.00509   3.13132
   D222      -0.01405   0.00011   0.00129  -0.00401  -0.00272  -0.01677
   D223       0.01568   0.00001  -0.00005  -0.00049  -0.00054   0.01514
   D224      -3.13478  -0.00005   0.00112   0.00070   0.00183  -3.13295
   D225       3.14110  -0.00017   0.00017   0.00363   0.00380  -3.13828
   D226      -0.01879  -0.00005   0.00032  -0.00049  -0.00017  -0.01896
   D227      -0.00167   0.00006  -0.00037   0.00160   0.00123  -0.00044
   D228      -3.13530   0.00011  -0.00142   0.00053  -0.00089  -3.13620
   D229      -0.01347  -0.00009   0.00062  -0.00196  -0.00133  -0.01480
   D230      -3.11577  -0.00006   0.00001   0.00263   0.00265  -3.11313
   D231       0.01895   0.00009  -0.00056   0.00145   0.00089   0.01984
   D232       3.12288   0.00005   0.00003  -0.00297  -0.00294   3.11994
   D233      -0.93889  -0.00001  -0.00408  -0.01637  -0.02045  -0.95934
   D234       1.15436  -0.00001  -0.00419  -0.01515  -0.01934   1.13501
   D235      -3.02816  -0.00007  -0.00386  -0.01429  -0.01815  -3.04630
   D236      -3.10604   0.00004  -0.00414  -0.01747  -0.02161  -3.12765
   D237      -1.01279   0.00004  -0.00426  -0.01625  -0.02051  -1.03330
   D238       1.08788  -0.00002  -0.00392  -0.01539  -0.01931   1.06856
   D239       1.10984  -0.00001  -0.00418  -0.01702  -0.02120   1.08864
   D240      -3.08010  -0.00001  -0.00429  -0.01581  -0.02010  -3.10020
   D241      -0.97943  -0.00007  -0.00395  -0.01495  -0.01890  -0.99833
   D242       2.95285   0.00020  -0.00028  -0.00096  -0.00124   2.95161
   D243      -1.25537   0.00002  -0.00038  -0.00291  -0.00328  -1.25865
   D244       0.87236   0.00012  -0.00050  -0.00072  -0.00121   0.87115
   D245      -1.13950   0.00000  -0.00013  -0.00121  -0.00134  -1.14084
   D246       0.93547  -0.00018  -0.00022  -0.00315  -0.00338   0.93209
   D247       3.06319  -0.00008  -0.00034  -0.00096  -0.00131   3.06189
   D248       0.92924   0.00001  -0.00029  -0.00125  -0.00154   0.92770
   D249       3.00421  -0.00017  -0.00038  -0.00319  -0.00358   3.00063
   D250      -1.15125  -0.00007  -0.00051  -0.00100  -0.00151  -1.15276
   D251       0.00107  -0.00003   0.00020  -0.00099  -0.00079   0.00029
   D252       3.13043   0.00002   0.00014   0.00143   0.00157   3.13200
         Item               Value     Threshold  Converged?
 Maximum Force            0.001544     0.000450     NO 
 RMS     Force            0.000192     0.000300     YES
 Maximum Displacement     0.203420     0.001800     NO 
 RMS     Displacement     0.039051     0.001200     NO 
 Predicted change in Energy=-3.349532D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.792838   -1.995154    0.966532
      2          6           0       -9.311969   -0.938707   -0.032852
      3          6           0      -10.035422    0.397768    0.159737
      4          6           0       -7.831740   -0.749883    0.078886
      5          7           0       -6.943014   -0.961709   -0.861684
      6          6           0       -5.619856   -0.686448   -0.427023
      7          6           0       -4.504478   -0.901386   -1.411552
      8          7           0       -3.924643    0.364285   -1.929591
      9          6           0       -4.818387    1.098614   -2.868131
     10          6           0       -3.102505    1.183558   -1.113597
     11          8           0       -2.924841    2.372816   -1.356015
     12          7           0       -2.436927    0.563212   -0.013405
     13          6           0       -1.308362    1.322369    0.572346
     14          6           0       -0.020718    1.078180   -0.242563
     15          8           0        0.212646    0.034639   -0.842667
     16          7           0        0.900201    2.120002   -0.234938
     17          6           0        2.191720    2.022685   -0.969707
     18          6           0        2.483841    3.349825   -1.703740
     19          6           0        2.574193    4.550075   -0.802500
     20          6           0        1.440438    5.348300   -0.581111
     21          6           0        1.520062    6.462976    0.257659
     22          6           0        2.728535    6.791257    0.879932
     23          6           0        3.861578    6.003256    0.654103
     24          6           0        3.788198    4.887841   -0.184489
     25          6           0        3.324212    1.626347    0.001184
     26          6           0        3.107170    0.218600    0.566711
     27          8           0        2.648088    0.320609    1.931910
     28          6           0        4.396231   -0.642141    0.721567
     29          6           0        5.153330   -0.773641   -0.609691
     30          6           0        6.505571   -1.402982   -0.418323
     31          6           0        6.667347   -2.783863   -0.609578
     32          6           0        7.923242   -3.370366   -0.438699
     33          6           0        9.023486   -2.585522   -0.076593
     34          6           0        8.863046   -1.210118    0.116522
     35          6           0        7.608579   -0.616965   -0.052523
     36          7           0        4.005005   -1.975514    1.279343
     37          6           0        3.206164   -2.816579    0.501445
     38          8           0        3.172327   -2.937516   -0.713295
     39          8           0        2.430809   -3.612640    1.335940
     40          6           0        1.490833   -4.507918    0.660474
     41          6           0        0.450542   -3.723513   -0.032856
     42          6           0       -0.901026   -3.664750    0.170090
     43          7           0       -1.601065   -2.784572   -0.681281
     44          6           0       -0.787026   -2.177552   -1.525800
     45         16           0        0.901503   -2.626183   -1.319908
     46          6           0       -1.130956    0.900315    2.060366
     47          6           0       -0.582219   -0.518282    2.208701
     48          6           0       -0.243252    1.906781    2.798413
     49          6           0       -5.509148   -0.255094    0.864140
     50         16           0       -7.081562   -0.178966    1.595305
     51          1           0      -10.861228   -2.201789    0.832237
     52          1           0       -9.256749   -2.943731    0.835635
     53          1           0       -9.653396   -1.679809    2.007313
     54          1           0       -9.531501   -1.312481   -1.074028
     55          1           0       -9.920454    0.791177    1.176715
     56          1           0       -9.658735    1.161354   -0.532434
     57          1           0      -11.110635    0.289858   -0.025567
     58          1           0       -3.700150   -1.532105   -0.953071
     59          1           0       -4.875505   -1.491062   -2.289179
     60          1           0       -4.899446    0.518569   -3.801959
     61          1           0       -4.389161    2.089449   -3.111213
     62          1           0       -5.830134    1.252381   -2.457911
     63          1           0       -2.282519   -0.454771   -0.047691
     64          1           0       -1.581112    2.418849    0.528897
     65          1           0        0.716087    2.994321    0.253439
     66          1           0        2.082372    1.210045   -1.747391
     67          1           0        1.694475    3.511087   -2.472152
     68          1           0        3.421660    3.238057   -2.287324
     69          1           0        0.498063    5.110193   -1.074432
     70          1           0        0.637506    7.080349    0.422482
     71          1           0        2.788648    7.659812    1.532566
     72          1           0        4.806334    6.260944    1.131224
     73          1           0        4.677693    4.287211   -0.361660
     74          1           0        3.396445    2.350376    0.839964
     75          1           0        4.298336    1.696791   -0.523562
     76          1           0        2.334843   -0.338611   -0.024450
     77          1           0        1.724836    0.689835    1.960854
     78          1           0        5.063928   -0.174076    1.497207
     79          1           0        4.550552   -1.371850   -1.337389
     80          1           0        5.256315    0.227893   -1.079152
     81          1           0        5.806388   -3.395099   -0.885591
     82          1           0        8.045263   -4.442048   -0.587080
     83          1           0       10.000451   -3.044687    0.055053
     84          1           0        9.717322   -0.598006    0.399660
     85          1           0        7.492277    0.452573    0.100840
     86          1           0        3.766200   -1.935645    2.282595
     87          1           0        1.106487   -5.093470    1.520595
     88          1           0        2.065335   -5.160735   -0.028247
     89          1           0       -1.478642   -4.219868    0.901412
     90          1           0       -1.089983   -1.436766   -2.260694
     91          1           0       -2.154296    0.932366    2.522327
     92          1           0       -1.196466   -1.256188    1.674610
     93          1           0        0.439906   -0.623844    1.815766
     94          1           0       -0.557021   -0.826938    3.260269
     95          1           0       -0.271369    1.725277    3.881397
     96          1           0        0.814749    1.834540    2.498735
     97          1           0       -0.567562    2.941447    2.642948
     98          1           0       -4.615089    0.020715    1.400125
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0814007      0.0289534      0.0233558
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3658.9505270448 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258518718286     A.U. after   17 cycles
             Convg  =    0.6870D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010206    0.000021446   -0.000003304
      2        6           0.000022075   -0.000031253    0.000001603
      3        6          -0.000050340    0.000007539    0.000008288
      4        6          -0.000054121    0.000031662    0.000028238
      5        7           0.000093738    0.000059905   -0.000004606
      6        6          -0.000142968   -0.000161890    0.000058113
      7        6           0.000132265   -0.000023832   -0.000111245
      8        7           0.000026064   -0.000011883    0.000009121
      9        6          -0.000000121    0.000012045    0.000111941
     10        6           0.000047044    0.000044052    0.000000303
     11        8          -0.000022809    0.000072473    0.000039992
     12        7          -0.000044854   -0.000101474   -0.000240239
     13        6          -0.000042814    0.000120425   -0.000113428
     14        6          -0.000094554   -0.000170337    0.000111978
     15        8           0.000005841   -0.000002445    0.000042606
     16        7           0.000165842    0.000069753   -0.000050575
     17        6          -0.000111279    0.000068238    0.000125317
     18        6           0.000037339   -0.000101376    0.000038098
     19        6           0.000018721   -0.000009246   -0.000008001
     20        6           0.000012201   -0.000000495    0.000023660
     21        6          -0.000009186    0.000020769   -0.000002183
     22        6          -0.000007314    0.000007662   -0.000007122
     23        6           0.000019136   -0.000002714   -0.000005177
     24        6          -0.000003797    0.000019625   -0.000038919
     25        6           0.000120454    0.000011317   -0.000047411
     26        6           0.000024379    0.000074101   -0.000071628
     27        8          -0.000538233   -0.000134855    0.000067257
     28        6           0.000359930   -0.000204611    0.000175921
     29        6          -0.000268478    0.000140370    0.000075418
     30        6           0.000033295    0.000006417    0.000005792
     31        6          -0.000004414    0.000053768   -0.000024052
     32        6          -0.000023925   -0.000026331   -0.000006613
     33        6           0.000009464    0.000031296    0.000011686
     34        6           0.000030239   -0.000002649   -0.000015330
     35        6          -0.000034387   -0.000005162    0.000025720
     36        7           0.000205441    0.000009303    0.000068561
     37        6           0.000160974   -0.000146642    0.000316999
     38        8          -0.000072343    0.000067558   -0.000138543
     39        8          -0.000241624   -0.000307560   -0.000182915
     40        6           0.000195125    0.000359603    0.000144527
     41        6          -0.000195021   -0.000135533   -0.000462837
     42        6           0.000321955    0.000074700    0.000078391
     43        7          -0.000019779   -0.000026091    0.000094206
     44        6          -0.000030448   -0.000115454   -0.000071780
     45       16           0.000160112   -0.000033724    0.000282050
     46        6          -0.000000227    0.000196242    0.000092980
     47        6           0.000300661    0.000099284   -0.000084838
     48        6           0.000026559    0.000041953   -0.000042439
     49        6          -0.000018807    0.000102946   -0.000088830
     50       16           0.000053278    0.000001544   -0.000034148
     51        1          -0.000007820    0.000022669   -0.000010469
     52        1          -0.000024034   -0.000029172    0.000001836
     53        1           0.000018525   -0.000001022   -0.000021819
     54        1           0.000028103   -0.000001440   -0.000015068
     55        1          -0.000004162   -0.000004847   -0.000003493
     56        1           0.000001493    0.000003296    0.000001741
     57        1           0.000010854   -0.000001462    0.000019115
     58        1           0.000014752    0.000010109    0.000045945
     59        1          -0.000068909   -0.000031789   -0.000029039
     60        1          -0.000010732    0.000002119    0.000006333
     61        1          -0.000003212   -0.000007946    0.000012222
     62        1          -0.000037592   -0.000016979    0.000012262
     63        1          -0.000015601    0.000066846    0.000125697
     64        1           0.000004412   -0.000023486    0.000090836
     65        1          -0.000071733    0.000094082   -0.000025696
     66        1           0.000006231   -0.000014033   -0.000038433
     67        1          -0.000013573   -0.000026575   -0.000030462
     68        1          -0.000015836    0.000010728    0.000001086
     69        1          -0.000018452   -0.000019712   -0.000008435
     70        1          -0.000005744   -0.000002366    0.000006380
     71        1           0.000002487   -0.000001866    0.000003594
     72        1          -0.000002875    0.000001757    0.000000277
     73        1           0.000007638    0.000000805    0.000011668
     74        1           0.000010597   -0.000026447    0.000044504
     75        1           0.000001971    0.000149134   -0.000024768
     76        1           0.000112778    0.000074705   -0.000118540
     77        1           0.000017412   -0.000021916    0.000021786
     78        1           0.000191551    0.000025191   -0.000143323
     79        1           0.000115114   -0.000045770    0.000009685
     80        1          -0.000029366   -0.000134643    0.000047215
     81        1          -0.000030991   -0.000025101    0.000016012
     82        1           0.000008687   -0.000000684   -0.000001858
     83        1          -0.000004620   -0.000009317   -0.000004998
     84        1          -0.000004029    0.000004019    0.000005880
     85        1           0.000011950    0.000001369    0.000006967
     86        1          -0.000327501    0.000137863   -0.000145742
     87        1          -0.000064473   -0.000137900   -0.000152191
     88        1           0.000034308    0.000008332    0.000077716
     89        1          -0.000061137    0.000071954   -0.000045621
     90        1          -0.000046320    0.000097107    0.000016688
     91        1           0.000068757    0.000028035   -0.000041302
     92        1          -0.000032074   -0.000080230   -0.000058921
     93        1          -0.000043713   -0.000066490   -0.000006525
     94        1          -0.000123322   -0.000090724    0.000022219
     95        1           0.000001738   -0.000058957    0.000061588
     96        1          -0.000176052    0.000087170    0.000001452
     97        1           0.000029851   -0.000033385    0.000025422
     98        1           0.000004580   -0.000053472    0.000047970
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000538233 RMS     0.000098691

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000644119 RMS     0.000104689
 Search for a local minimum.
 Step number  77 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   69   70   73   72   74
                                                     75   76   77
 DE= -1.34D-05 DEPred=-3.35D-05 R= 4.01D-01
 Trust test= 4.01D-01 RLast= 1.32D-01 DXMaxT set to 1.32D-01
     Eigenvalues ---    0.00075   0.00088   0.00182   0.00214   0.00253
     Eigenvalues ---    0.00314   0.00369   0.00496   0.00542   0.00627
     Eigenvalues ---    0.00666   0.00736   0.00793   0.00860   0.00876
     Eigenvalues ---    0.00920   0.00984   0.01083   0.01185   0.01293
     Eigenvalues ---    0.01304   0.01387   0.01417   0.01449   0.01520
     Eigenvalues ---    0.01583   0.01613   0.01705   0.01741   0.01757
     Eigenvalues ---    0.01927   0.02032   0.02106   0.02154   0.02194
     Eigenvalues ---    0.02203   0.02220   0.02250   0.02258   0.02268
     Eigenvalues ---    0.02291   0.02330   0.02372   0.02404   0.02409
     Eigenvalues ---    0.02415   0.02447   0.02482   0.02485   0.02521
     Eigenvalues ---    0.02527   0.02528   0.02552   0.02678   0.02706
     Eigenvalues ---    0.02933   0.02972   0.03376   0.03890   0.04013
     Eigenvalues ---    0.04081   0.04181   0.04202   0.04328   0.04525
     Eigenvalues ---    0.04597   0.04723   0.04945   0.04969   0.05083
     Eigenvalues ---    0.05161   0.05198   0.05251   0.05384   0.05403
     Eigenvalues ---    0.05452   0.05499   0.05526   0.05579   0.05642
     Eigenvalues ---    0.05719   0.05730   0.05820   0.05847   0.05896
     Eigenvalues ---    0.05981   0.06081   0.06139   0.06227   0.06466
     Eigenvalues ---    0.06522   0.06815   0.06939   0.07090   0.07198
     Eigenvalues ---    0.07532   0.08287   0.08413   0.08574   0.08848
     Eigenvalues ---    0.09387   0.09626   0.09873   0.10327   0.11666
     Eigenvalues ---    0.12148   0.12900   0.13120   0.13318   0.13446
     Eigenvalues ---    0.13813   0.14054   0.14542   0.15496   0.15649
     Eigenvalues ---    0.15713   0.15873   0.15968   0.15981   0.15983
     Eigenvalues ---    0.15986   0.15991   0.15995   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16005   0.16010   0.16018
     Eigenvalues ---    0.16046   0.16081   0.16112   0.16131   0.16201
     Eigenvalues ---    0.16259   0.16503   0.16820   0.16883   0.17205
     Eigenvalues ---    0.17816   0.17976   0.18351   0.18688   0.19251
     Eigenvalues ---    0.19867   0.20470   0.20608   0.20996   0.21806
     Eigenvalues ---    0.21845   0.22000   0.22001   0.22003   0.22042
     Eigenvalues ---    0.22177   0.22370   0.22659   0.23040   0.23437
     Eigenvalues ---    0.23492   0.23633   0.23711   0.24075   0.24329
     Eigenvalues ---    0.24642   0.24736   0.24839   0.24992   0.25097
     Eigenvalues ---    0.25258   0.25452   0.25920   0.27029   0.27825
     Eigenvalues ---    0.28422   0.29357   0.29733   0.29860   0.29958
     Eigenvalues ---    0.30077   0.30268   0.30307   0.30438   0.30623
     Eigenvalues ---    0.30669   0.30841   0.31336   0.31393   0.31428
     Eigenvalues ---    0.31498   0.31528   0.31658   0.31724   0.31913
     Eigenvalues ---    0.31948   0.32173   0.32332   0.32366   0.32557
     Eigenvalues ---    0.32602   0.32658   0.32763   0.32834   0.32895
     Eigenvalues ---    0.32997   0.33019   0.33057   0.33134   0.33163
     Eigenvalues ---    0.33209   0.33403   0.33543   0.33601   0.33678
     Eigenvalues ---    0.33742   0.33884   0.33910   0.33969   0.34046
     Eigenvalues ---    0.34126   0.34235   0.34261   0.34301   0.34389
     Eigenvalues ---    0.34515   0.34548   0.34694   0.34726   0.35084
     Eigenvalues ---    0.36242   0.36309   0.36370   0.36460   0.36568
     Eigenvalues ---    0.36653   0.36846   0.36971   0.37244   0.37575
     Eigenvalues ---    0.38536   0.38894   0.39310   0.40354   0.40883
     Eigenvalues ---    0.41551   0.41849   0.42501   0.42874   0.43135
     Eigenvalues ---    0.43393   0.43866   0.44638   0.45220   0.45957
     Eigenvalues ---    0.46350   0.47568   0.47865   0.48255   0.48378
     Eigenvalues ---    0.48663   0.48911   0.49205   0.49549   0.50274
     Eigenvalues ---    0.50771   0.51034   0.51250   0.51412   0.56416
     Eigenvalues ---    0.58612   0.58985   0.61032   0.62113   0.63932
     Eigenvalues ---    0.66631   0.70029   0.77842   0.79983   0.86023
     Eigenvalues ---    1.54101   1.85015   4.230271000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    77   76   75   74
 RFO step:  Lambda=-8.00875176D-06.
 DIIS coeffs:      0.67753      0.45123     -0.12361     -0.00515
 Iteration  1 RMS(Cart)=  0.01119667 RMS(Int)=  0.00001817
 Iteration  2 RMS(Cart)=  0.00006422 RMS(Int)=  0.00000023
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000023
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89448  -0.00003  -0.00005   0.00002  -0.00003   2.89445
    R2        2.07198   0.00001   0.00002  -0.00002   0.00000   2.07198
    R3        2.07382   0.00000   0.00000   0.00003   0.00003   2.07385
    R4        2.07191  -0.00001   0.00001  -0.00003  -0.00003   2.07189
    R5        2.89483  -0.00004  -0.00008  -0.00006  -0.00015   2.89468
    R6        2.82779  -0.00002  -0.00008   0.00002  -0.00005   2.82773
    R7        2.13125   0.00001   0.00003  -0.00002   0.00002   2.13127
    R8        2.07201   0.00000   0.00003   0.00000   0.00003   2.07204
    R9        2.07359   0.00000  -0.00001  -0.00002  -0.00003   2.07356
   R10        2.07187   0.00001   0.00001   0.00000   0.00001   2.07188
   R11        2.47790  -0.00007  -0.00016   0.00001  -0.00015   2.47775
   R12        3.37423  -0.00003   0.00020  -0.00007   0.00013   3.37436
   R13        2.68277   0.00008   0.00009   0.00011   0.00020   2.68297
   R14        2.84061  -0.00007  -0.00025   0.00021  -0.00005   2.84056
   R15        2.58100  -0.00005  -0.00015   0.00006  -0.00009   2.58091
   R16        2.80705  -0.00013  -0.00022   0.00022   0.00000   2.80706
   R17        2.11696   0.00002  -0.00001  -0.00012  -0.00013   2.11683
   R18        2.11751  -0.00002  -0.00004  -0.00012  -0.00016   2.11735
   R19        2.81492  -0.00014  -0.00013  -0.00008  -0.00021   2.81470
   R20        2.68112  -0.00011  -0.00027   0.00033   0.00006   2.68118
   R21        2.08304   0.00000  -0.00001   0.00000  -0.00001   2.08303
   R22        2.09161   0.00000  -0.00005   0.00000  -0.00005   2.09156
   R23        2.08347  -0.00003   0.00003  -0.00005  -0.00002   2.08344
   R24        2.31803  -0.00008  -0.00002  -0.00008  -0.00010   2.31793
   R25        2.69791  -0.00007   0.00006   0.00003   0.00009   2.69800
   R26        2.79851  -0.00005   0.00000   0.00022   0.00022   2.79873
   R27        1.94679   0.00012   0.00004   0.00002   0.00006   1.94685
   R28        2.91639  -0.00010   0.00002   0.00000   0.00002   2.91641
   R29        2.94204  -0.00007  -0.00014   0.00002  -0.00011   2.94192
   R30        2.13677  -0.00003   0.00006  -0.00014  -0.00009   2.13668
   R31        2.31718   0.00000   0.00008   0.00032   0.00040   2.31757
   R32        2.62770   0.00000  -0.00036   0.00022  -0.00014   2.62756
   R33        2.81397  -0.00004  -0.00007   0.00021   0.00014   2.81411
   R34        1.92422  -0.00012  -0.00008  -0.00007  -0.00015   1.92407
   R35        2.91866   0.00006   0.00028  -0.00014   0.00014   2.91880
   R36        2.91671  -0.00007  -0.00025   0.00001  -0.00024   2.91646
   R37        2.13559  -0.00001  -0.00014   0.00000  -0.00014   2.13544
   R38        2.84151  -0.00001  -0.00001  -0.00008  -0.00009   2.84142
   R39        2.10394   0.00000   0.00003  -0.00004   0.00000   2.10394
   R40        2.09799   0.00001   0.00000   0.00007   0.00007   2.09807
   R41        2.65342  -0.00001  -0.00003   0.00000  -0.00003   2.65339
   R42        2.65224  -0.00003   0.00002  -0.00002   0.00000   2.65224
   R43        2.64047  -0.00002   0.00001  -0.00002  -0.00001   2.64046
   R44        2.05983  -0.00002   0.00000  -0.00003  -0.00003   2.05980
   R45        2.64251  -0.00001  -0.00005   0.00005  -0.00001   2.64250
   R46        2.05904  -0.00001   0.00000  -0.00001  -0.00001   2.05903
   R47        2.64273  -0.00001   0.00002  -0.00002  -0.00001   2.64273
   R48        2.05619   0.00000   0.00000   0.00000   0.00000   2.05619
   R49        2.64073   0.00000  -0.00002   0.00002   0.00000   2.64073
   R50        2.05851   0.00000   0.00000   0.00001   0.00001   2.05852
   R51        2.05568  -0.00001  -0.00001   0.00002   0.00000   2.05568
   R52        2.89608  -0.00018   0.00000  -0.00043  -0.00043   2.89565
   R53        2.09835   0.00004  -0.00009   0.00034   0.00025   2.09860
   R54        2.09516  -0.00001   0.00013  -0.00005   0.00008   2.09524
   R55        2.72863  -0.00010   0.00002   0.00015   0.00017   2.72880
   R56        2.94369  -0.00035   0.00002  -0.00014  -0.00011   2.94358
   R57        2.11822   0.00013   0.00003   0.00010   0.00013   2.11835
   R58        1.87984   0.00001   0.00017   0.00014   0.00031   1.88015
   R59        2.90474   0.00001   0.00006   0.00003   0.00009   2.90482
   R60        2.82958  -0.00014   0.00001  -0.00006  -0.00004   2.82954
   R61        2.12670  -0.00013  -0.00010  -0.00016  -0.00026   2.12644
   R62        2.84167   0.00001   0.00002  -0.00003  -0.00001   2.84165
   R63        2.11340  -0.00002  -0.00012  -0.00013  -0.00025   2.11315
   R64        2.09927   0.00002   0.00009   0.00000   0.00009   2.09936
   R65        2.65208   0.00004   0.00002   0.00001   0.00003   2.65211
   R66        2.65118   0.00000  -0.00005   0.00012   0.00008   2.65126
   R67        2.63917   0.00001  -0.00002   0.00006   0.00004   2.63921
   R68        2.06235  -0.00003  -0.00002  -0.00010  -0.00012   2.06223
   R69        2.64402  -0.00003   0.00000  -0.00005  -0.00005   2.64398
   R70        2.05747  -0.00001   0.00001  -0.00001   0.00000   2.05746
   R71        2.64209   0.00000  -0.00005   0.00006   0.00001   2.64209
   R72        2.05505   0.00000   0.00001  -0.00001   0.00000   2.05505
   R73        2.64163  -0.00003   0.00002  -0.00006  -0.00003   2.64159
   R74        2.05679   0.00000  -0.00001   0.00001   0.00000   2.05679
   R75        2.05360   0.00000   0.00000   0.00003   0.00002   2.05362
   R76        2.63931  -0.00018   0.00004  -0.00006  -0.00002   2.63929
   R77        1.95030  -0.00030  -0.00012  -0.00050  -0.00062   1.94968
   R78        2.30776   0.00016   0.00006   0.00015   0.00021   2.30797
   R79        2.62616  -0.00021  -0.00002  -0.00080  -0.00082   2.62533
   R80        2.76529   0.00025   0.00036   0.00031   0.00067   2.76596
   R81        2.78900   0.00016   0.00010  -0.00015  -0.00006   2.78894
   R82        2.09615  -0.00018  -0.00014   0.00001  -0.00013   2.09602
   R83        2.09628  -0.00004  -0.00009  -0.00015  -0.00024   2.09605
   R84        2.58511   0.00024   0.00014   0.00050   0.00064   2.58575
   R85        3.30783  -0.00027  -0.00032  -0.00071  -0.00103   3.30680
   R86        2.66552  -0.00007  -0.00008  -0.00038  -0.00046   2.66506
   R87        2.04983  -0.00005  -0.00006  -0.00015  -0.00021   2.04962
   R88        2.49583   0.00006   0.00008   0.00033   0.00041   2.49624
   R89        3.32441  -0.00004  -0.00011  -0.00035  -0.00046   3.32395
   R90        2.05330  -0.00004  -0.00005  -0.00015  -0.00021   2.05310
   R91        2.88797  -0.00021   0.00009  -0.00017  -0.00008   2.88789
   R92        2.89425  -0.00001   0.00036  -0.00037  -0.00001   2.89424
   R93        2.12261   0.00005  -0.00004   0.00009   0.00005   2.12265
   R94        2.07617  -0.00009  -0.00017  -0.00016  -0.00032   2.07584
   R95        2.07894   0.00005   0.00029   0.00040   0.00068   2.07962
   R96        2.07156   0.00004   0.00003   0.00014   0.00017   2.07173
   R97        2.07577   0.00008   0.00003   0.00001   0.00003   2.07580
   R98        2.08247   0.00016   0.00016  -0.00053  -0.00037   2.08210
   R99        2.06999   0.00002  -0.00003   0.00009   0.00006   2.07005
   R100       3.28012   0.00004   0.00015   0.00013   0.00027   3.28040
   R101       2.03766   0.00005  -0.00003   0.00015   0.00012   2.03778
    A1        1.93476   0.00000   0.00000   0.00004   0.00004   1.93480
    A2        1.94442  -0.00001  -0.00003  -0.00008  -0.00011   1.94431
    A3        1.96174  -0.00002   0.00003  -0.00015  -0.00011   1.96163
    A4        1.87391   0.00001   0.00012   0.00003   0.00015   1.87406
    A5        1.86962   0.00001  -0.00013   0.00021   0.00008   1.86970
    A6        1.87518   0.00001   0.00001  -0.00003  -0.00003   1.87515
    A7        1.95137   0.00002   0.00000   0.00015   0.00016   1.95152
    A8        1.92716  -0.00002   0.00012  -0.00040  -0.00028   1.92687
    A9        1.88878  -0.00001  -0.00020   0.00009  -0.00011   1.88867
   A10        1.92590   0.00000   0.00001   0.00007   0.00008   1.92598
   A11        1.88944   0.00000   0.00005   0.00001   0.00006   1.88950
   A12        1.87896   0.00001   0.00001   0.00009   0.00010   1.87906
   A13        1.96072   0.00000  -0.00008   0.00009   0.00001   1.96073
   A14        1.94517   0.00000   0.00007  -0.00003   0.00004   1.94521
   A15        1.93481   0.00000   0.00003  -0.00003   0.00000   1.93481
   A16        1.87485   0.00000  -0.00003   0.00000  -0.00003   1.87482
   A17        1.87015   0.00000  -0.00009  -0.00003  -0.00012   1.87004
   A18        1.87395   0.00001   0.00009   0.00001   0.00010   1.87405
   A19        2.20993  -0.00001   0.00017  -0.00014   0.00003   2.20996
   A20        2.11689   0.00001  -0.00012   0.00002  -0.00010   2.11679
   A21        1.95636   0.00000  -0.00005   0.00012   0.00007   1.95643
   A22        1.96141   0.00001   0.00005  -0.00010  -0.00005   1.96136
   A23        2.05253  -0.00017   0.00027  -0.00043  -0.00016   2.05237
   A24        2.01111  -0.00001   0.00006   0.00004   0.00009   2.01120
   A25        2.21954   0.00017  -0.00033   0.00039   0.00006   2.21960
   A26        1.97820   0.00005  -0.00089   0.00122   0.00034   1.97854
   A27        1.92326  -0.00002   0.00031  -0.00045  -0.00014   1.92311
   A28        1.92041   0.00001   0.00033   0.00002   0.00035   1.92076
   A29        1.92004   0.00002  -0.00007   0.00019   0.00011   1.92015
   A30        1.88020  -0.00006   0.00016  -0.00064  -0.00048   1.87972
   A31        1.83589  -0.00001   0.00024  -0.00047  -0.00023   1.83566
   A32        1.98840  -0.00011   0.00006  -0.00058  -0.00052   1.98787
   A33        2.11488   0.00009  -0.00014   0.00003  -0.00011   2.11476
   A34        2.01018   0.00003   0.00025  -0.00050  -0.00025   2.00993
   A35        1.89492  -0.00001   0.00005  -0.00016  -0.00011   1.89481
   A36        1.92518  -0.00001   0.00002  -0.00017  -0.00015   1.92502
   A37        1.96591  -0.00003  -0.00018   0.00030   0.00013   1.96604
   A38        1.88970   0.00001   0.00023  -0.00004   0.00019   1.88990
   A39        1.89771   0.00002  -0.00009   0.00012   0.00003   1.89773
   A40        1.88886   0.00001  -0.00002  -0.00005  -0.00008   1.88879
   A41        2.12953   0.00002   0.00015  -0.00017  -0.00002   2.12950
   A42        2.05155  -0.00008  -0.00034   0.00025  -0.00008   2.05146
   A43        2.10139   0.00006   0.00015  -0.00006   0.00009   2.10148
   A44        2.02344   0.00014  -0.00017   0.00024   0.00007   2.02350
   A45        2.06416  -0.00005  -0.00040   0.00063   0.00023   2.06439
   A46        1.98832  -0.00008  -0.00019   0.00043   0.00024   1.98855
   A47        1.92396  -0.00006   0.00017   0.00043   0.00060   1.92456
   A48        1.90278  -0.00006   0.00024   0.00012   0.00037   1.90314
   A49        1.87348   0.00006  -0.00004  -0.00016  -0.00020   1.87328
   A50        1.94628   0.00004  -0.00018  -0.00052  -0.00069   1.94558
   A51        1.91177   0.00000   0.00018  -0.00002   0.00016   1.91193
   A52        1.90402   0.00001  -0.00038   0.00015  -0.00022   1.90380
   A53        2.15540  -0.00022   0.00019  -0.00057  -0.00038   2.15502
   A54        2.01655   0.00038  -0.00062   0.00042  -0.00021   2.01634
   A55        2.11095  -0.00016   0.00045   0.00019   0.00064   2.11159
   A56        2.12086  -0.00054   0.00098  -0.00013   0.00085   2.12172
   A57        2.12493   0.00029  -0.00034  -0.00002  -0.00037   2.12456
   A58        2.03712   0.00024  -0.00061   0.00017  -0.00044   2.03667
   A59        1.92026   0.00006  -0.00029  -0.00019  -0.00048   1.91978
   A60        1.92067   0.00026   0.00040   0.00025   0.00065   1.92132
   A61        1.87825  -0.00020  -0.00001   0.00030   0.00029   1.87854
   A62        1.96149  -0.00018  -0.00010  -0.00038  -0.00048   1.96101
   A63        1.88509   0.00009   0.00018  -0.00026  -0.00009   1.88500
   A64        1.89570  -0.00004  -0.00017   0.00031   0.00014   1.89584
   A65        1.99588   0.00004   0.00024   0.00011   0.00035   1.99624
   A66        1.89481   0.00002   0.00000   0.00013   0.00013   1.89494
   A67        1.89978  -0.00002  -0.00003  -0.00022  -0.00025   1.89953
   A68        1.91841  -0.00004  -0.00007  -0.00012  -0.00018   1.91823
   A69        1.92267   0.00000  -0.00004   0.00009   0.00005   1.92272
   A70        1.82419   0.00000  -0.00013  -0.00001  -0.00015   1.82405
   A71        2.09412   0.00001   0.00003   0.00003   0.00006   2.09418
   A72        2.10365  -0.00001  -0.00004  -0.00006  -0.00010   2.10355
   A73        2.08539   0.00000   0.00000   0.00003   0.00003   2.08542
   A74        2.09687   0.00000  -0.00001  -0.00001  -0.00002   2.09685
   A75        2.09733   0.00000   0.00004  -0.00002   0.00002   2.09735
   A76        2.08887   0.00000  -0.00004   0.00003   0.00000   2.08887
   A77        2.09863   0.00000   0.00002   0.00000   0.00001   2.09864
   A78        2.09054   0.00000  -0.00003   0.00004   0.00001   2.09055
   A79        2.09401  -0.00001   0.00001  -0.00004  -0.00002   2.09398
   A80        2.08983   0.00000  -0.00001   0.00001   0.00000   2.08983
   A81        2.09677   0.00000   0.00003  -0.00002   0.00001   2.09678
   A82        2.09657   0.00000  -0.00002   0.00002   0.00000   2.09657
   A83        2.09916   0.00000   0.00000   0.00000   0.00000   2.09916
   A84        2.09284   0.00000   0.00000   0.00001   0.00002   2.09286
   A85        2.09117   0.00000  -0.00001  -0.00001  -0.00002   2.09116
   A86        2.09643   0.00000  -0.00001  -0.00001  -0.00002   2.09641
   A87        2.09750   0.00000  -0.00003   0.00004   0.00000   2.09751
   A88        2.08923   0.00000   0.00004  -0.00002   0.00002   2.08925
   A89        1.94345  -0.00020   0.00022  -0.00005   0.00017   1.94361
   A90        1.93420   0.00029   0.00013   0.00004   0.00017   1.93438
   A91        1.90777  -0.00017  -0.00040  -0.00012  -0.00053   1.90725
   A92        1.90648  -0.00014   0.00007   0.00016   0.00023   1.90671
   A93        1.93633   0.00022  -0.00040  -0.00045  -0.00086   1.93547
   A94        1.83272   0.00002   0.00039   0.00045   0.00084   1.83355
   A95        1.90607   0.00004  -0.00040   0.00040   0.00000   1.90607
   A96        2.01203   0.00064  -0.00017   0.00001  -0.00016   2.01186
   A97        1.93863  -0.00029   0.00019  -0.00078  -0.00059   1.93804
   A98        1.78048  -0.00054  -0.00093   0.00025  -0.00068   1.77980
   A99        1.89093   0.00027   0.00090  -0.00071   0.00019   1.89111
   A100       1.92615  -0.00012   0.00039   0.00086   0.00125   1.92741
   A101       1.92710   0.00006  -0.00060  -0.00019  -0.00080   1.92631
   A102       1.94848   0.00022   0.00069   0.00044   0.00113   1.94961
   A103       1.88900  -0.00043  -0.00025  -0.00014  -0.00039   1.88862
   A104       1.90675   0.00009  -0.00027  -0.00037  -0.00064   1.90611
   A105       1.95533   0.00009   0.00001  -0.00057  -0.00056   1.95477
   A106       1.91799  -0.00014  -0.00021  -0.00019  -0.00040   1.91760
   A107       1.84278   0.00016  -0.00002   0.00084   0.00082   1.84360
   A108       1.94820   0.00008   0.00001   0.00023   0.00024   1.94844
   A109       1.92178  -0.00007   0.00013  -0.00062  -0.00049   1.92130
   A110       1.91191  -0.00009  -0.00032  -0.00053  -0.00085   1.91106
   A111       1.92157   0.00004   0.00028   0.00054   0.00082   1.92239
   A112       1.92595  -0.00002  -0.00026   0.00004  -0.00022   1.92573
   A113       1.83095   0.00005   0.00016   0.00033   0.00049   1.83144
   A114       2.09222   0.00006   0.00013   0.00026   0.00039   2.09261
   A115       2.10099  -0.00004  -0.00011  -0.00016  -0.00027   2.10072
   A116       2.08998  -0.00002  -0.00002  -0.00010  -0.00012   2.08986
   A117       2.09462   0.00000  -0.00001   0.00001   0.00001   2.09463
   A118       2.08818   0.00002   0.00002   0.00014   0.00016   2.08834
   A119       2.10036  -0.00002  -0.00001  -0.00015  -0.00016   2.10020
   A120       2.09814   0.00001   0.00002   0.00005   0.00007   2.09821
   A121       2.09148  -0.00001  -0.00003  -0.00006  -0.00008   2.09139
   A122       2.09356   0.00000   0.00000   0.00001   0.00001   2.09358
   A123       2.09132   0.00000  -0.00002  -0.00003  -0.00005   2.09127
   A124       2.09547   0.00001   0.00002   0.00007   0.00009   2.09556
   A125       2.09640  -0.00001   0.00000  -0.00004  -0.00004   2.09636
   A126       2.09867   0.00001   0.00000  -0.00001  -0.00001   2.09866
   A127       2.09337  -0.00001   0.00001  -0.00005  -0.00004   2.09333
   A128       2.09114   0.00000  -0.00001   0.00007   0.00005   2.09119
   A129       2.09364   0.00002   0.00002   0.00008   0.00010   2.09374
   A130       2.09909  -0.00002   0.00005  -0.00012  -0.00008   2.09901
   A131       2.09046   0.00000  -0.00007   0.00004  -0.00003   2.09043
   A132       2.06942  -0.00052   0.00007  -0.00051  -0.00044   2.06898
   A133       1.96944   0.00023  -0.00025   0.00083   0.00058   1.97002
   A134       2.01789   0.00010  -0.00014   0.00012  -0.00002   2.01787
   A135       2.25171  -0.00003   0.00003  -0.00022  -0.00019   2.25151
   A136       1.90670  -0.00004  -0.00016  -0.00040  -0.00056   1.90614
   A137       2.12365   0.00008   0.00012   0.00067   0.00079   2.12443
   A138       2.01714   0.00002   0.00047   0.00162   0.00209   2.01923
   A139       1.92245  -0.00005   0.00026   0.00106   0.00132   1.92377
   A140       1.75953  -0.00003  -0.00030  -0.00087  -0.00117   1.75835
   A141       1.89016  -0.00002  -0.00003  -0.00042  -0.00046   1.88970
   A142       1.98297  -0.00001   0.00012  -0.00013  -0.00001   1.98296
   A143       1.96726   0.00010  -0.00002   0.00009   0.00008   1.96733
   A144       1.92860  -0.00002  -0.00005   0.00018   0.00012   1.92872
   A145       2.27778  -0.00010  -0.00049  -0.00107  -0.00156   2.27622
   A146       2.09094   0.00010   0.00042   0.00105   0.00147   2.09241
   A147       1.91420   0.00000   0.00009   0.00005   0.00015   1.91434
   A148       2.01263  -0.00004  -0.00010  -0.00006  -0.00016   2.01247
   A149       2.21949   0.00000   0.00004  -0.00018  -0.00015   2.21934
   A150       2.05104   0.00004   0.00006   0.00024   0.00029   2.05134
   A151       1.94642  -0.00002  -0.00001  -0.00016  -0.00017   1.94625
   A152       1.98182  -0.00001   0.00001   0.00007   0.00008   1.98190
   A153       2.18214   0.00001   0.00006  -0.00010  -0.00003   2.18211
   A154       2.11840  -0.00001  -0.00002   0.00012   0.00009   2.11850
   A155       1.56944   0.00006   0.00002   0.00008   0.00010   1.56954
   A156       1.96636  -0.00002   0.00024  -0.00046  -0.00023   1.96613
   A157       1.92675   0.00008  -0.00043  -0.00033  -0.00076   1.92599
   A158       1.85619  -0.00003   0.00002   0.00012   0.00014   1.85633
   A159       1.93383  -0.00014   0.00007   0.00068   0.00074   1.93457
   A160       1.88988   0.00006  -0.00001   0.00010   0.00009   1.88997
   A161       1.88716   0.00006   0.00012  -0.00010   0.00001   1.88718
   A162       1.95575  -0.00001   0.00017  -0.00040  -0.00022   1.95553
   A163       1.96926  -0.00008   0.00001   0.00028   0.00029   1.96955
   A164       1.94199   0.00006  -0.00019   0.00060   0.00041   1.94239
   A165       1.85601   0.00003  -0.00043  -0.00002  -0.00044   1.85557
   A166       1.86509   0.00005   0.00079  -0.00011   0.00068   1.86578
   A167       1.86947  -0.00005  -0.00034  -0.00041  -0.00075   1.86872
   A168       1.93017   0.00005   0.00019   0.00005   0.00024   1.93040
   A169       1.96313  -0.00017   0.00037   0.00032   0.00068   1.96381
   A170       1.96137   0.00006  -0.00026  -0.00018  -0.00044   1.96093
   A171       1.85652   0.00003   0.00031  -0.00022   0.00010   1.85662
   A172       1.86338  -0.00004  -0.00005  -0.00012  -0.00017   1.86321
   A173       1.88344   0.00008  -0.00057   0.00013  -0.00044   1.88300
   A174       1.91626  -0.00002  -0.00004  -0.00004  -0.00008   1.91619
   A175       2.23686   0.00006   0.00007   0.00017   0.00023   2.23710
   A176       2.13001  -0.00004  -0.00003  -0.00012  -0.00015   2.12985
   A177       1.57963   0.00002  -0.00002  -0.00002  -0.00004   1.57959
    D1        1.07522   0.00002  -0.00124   0.00223   0.00099   1.07621
    D2       -3.05659   0.00002  -0.00113   0.00213   0.00100  -3.05559
    D3       -1.00413   0.00001  -0.00117   0.00207   0.00089  -1.00324
    D4       -3.12229   0.00002  -0.00111   0.00224   0.00112  -3.12117
    D5       -0.97091   0.00002  -0.00101   0.00214   0.00114  -0.96978
    D6        1.08154   0.00002  -0.00104   0.00207   0.00103   1.08257
    D7       -1.01658   0.00001  -0.00110   0.00203   0.00093  -1.01565
    D8        1.13480   0.00002  -0.00100   0.00194   0.00094   1.13574
    D9       -3.09593   0.00001  -0.00103   0.00187   0.00084  -3.09510
   D10        0.99725   0.00000  -0.00122   0.00197   0.00075   0.99800
   D11        3.10236   0.00000  -0.00126   0.00201   0.00074   3.10310
   D12       -1.09457   0.00001  -0.00108   0.00197   0.00089  -1.09368
   D13       -1.15484   0.00001  -0.00139   0.00233   0.00094  -1.15390
   D14        0.95027   0.00001  -0.00143   0.00237   0.00094   0.95120
   D15        3.03652   0.00002  -0.00125   0.00233   0.00108   3.03761
   D16        3.07621   0.00000  -0.00143   0.00217   0.00074   3.07695
   D17       -1.10186   0.00000  -0.00148   0.00221   0.00074  -1.10113
   D18        0.98439   0.00001  -0.00129   0.00218   0.00088   0.98527
   D19        2.07181  -0.00002   0.00189  -0.00745  -0.00556   2.06624
   D20       -1.07234  -0.00003   0.00122  -0.00690  -0.00568  -1.07802
   D21       -2.04527  -0.00001   0.00198  -0.00749  -0.00550  -2.05078
   D22        1.09377  -0.00002   0.00132  -0.00694  -0.00562   1.08814
   D23        0.01331  -0.00001   0.00205  -0.00738  -0.00533   0.00798
   D24       -3.13083  -0.00001   0.00138  -0.00683  -0.00545  -3.13628
   D25       -3.14046   0.00002  -0.00001   0.00044   0.00043  -3.14003
   D26        0.00348   0.00002   0.00060  -0.00006   0.00054   0.00402
   D27        3.14157  -0.00002   0.00006  -0.00059  -0.00054   3.14103
   D28       -0.00224  -0.00002  -0.00052  -0.00012  -0.00064  -0.00288
   D29        3.13295  -0.00001   0.00015  -0.00079  -0.00064   3.13232
   D30       -0.00340  -0.00001  -0.00040   0.00028  -0.00011  -0.00352
   D31        1.86850  -0.00002  -0.01130   0.01598   0.00468   1.87318
   D32       -2.25453   0.00003  -0.01181   0.01678   0.00497  -2.24956
   D33       -0.23786   0.00002  -0.01115   0.01596   0.00481  -0.23305
   D34       -1.27904  -0.00002  -0.01067   0.01476   0.00409  -1.27495
   D35        0.88112   0.00003  -0.01118   0.01556   0.00437   0.88550
   D36        2.89778   0.00002  -0.01052   0.01474   0.00422   2.90201
   D37        0.00161   0.00000  -0.00001  -0.00036  -0.00037   0.00123
   D38       -3.12934   0.00000   0.00099  -0.00136  -0.00037  -3.12971
   D39       -3.13416   0.00000  -0.00062   0.00083   0.00021  -3.13396
   D40        0.01807   0.00000   0.00038  -0.00017   0.00021   0.01828
   D41       -1.25115   0.00006   0.00035   0.00233   0.00268  -1.24847
   D42        1.26781   0.00008   0.00071   0.00041   0.00113   1.26894
   D43        2.87012   0.00003   0.00065   0.00188   0.00253   2.87265
   D44       -0.89410   0.00005   0.00101  -0.00003   0.00098  -0.89312
   D45        0.87780   0.00006   0.00031   0.00269   0.00300   0.88080
   D46       -2.88642   0.00008   0.00068   0.00077   0.00145  -2.88497
   D47       -1.20394   0.00002   0.00095  -0.00340  -0.00245  -1.20638
   D48        3.01124   0.00001   0.00063  -0.00315  -0.00252   3.00871
   D49        0.89874   0.00003   0.00076  -0.00317  -0.00241   0.89633
   D50        2.52162  -0.00002   0.00075  -0.00180  -0.00105   2.52056
   D51        0.45361  -0.00003   0.00043  -0.00156  -0.00113   0.45248
   D52       -1.65889  -0.00001   0.00056  -0.00157  -0.00101  -1.65990
   D53       -2.77445  -0.00001  -0.00013   0.00255   0.00242  -2.77204
   D54        0.40789   0.00006   0.00087   0.00199   0.00287   0.41075
   D55       -0.26269  -0.00004   0.00018   0.00058   0.00076  -0.26193
   D56        2.91965   0.00003   0.00118   0.00003   0.00121   2.92086
   D57        2.84632  -0.00008  -0.00002  -0.00133  -0.00135   2.84497
   D58        0.39125  -0.00007   0.00114  -0.00334  -0.00220   0.38905
   D59       -0.25521  -0.00001   0.00097  -0.00187  -0.00090  -0.25612
   D60       -2.71028   0.00000   0.00213  -0.00388  -0.00176  -2.71204
   D61       -1.45146   0.00002   0.00350   0.00170   0.00520  -1.44626
   D62        2.68990   0.00005   0.00345   0.00199   0.00544   2.69534
   D63        0.62968   0.00003   0.00378   0.00183   0.00562   0.63530
   D64        1.03316   0.00002   0.00231   0.00371   0.00602   1.03918
   D65       -1.10866   0.00005   0.00225   0.00400   0.00625  -1.10241
   D66        3.11430   0.00003   0.00259   0.00384   0.00643   3.12074
   D67       -0.52856   0.00004  -0.00214  -0.00394  -0.00607  -0.53463
   D68        2.63884  -0.00007  -0.00298  -0.00571  -0.00869   2.63015
   D69        1.58753  -0.00005  -0.00182  -0.00383  -0.00566   1.58188
   D70       -1.52825  -0.00016  -0.00267  -0.00561  -0.00828  -1.53653
   D71       -2.58625  -0.00001  -0.00229  -0.00399  -0.00628  -2.59254
   D72        0.58114  -0.00011  -0.00314  -0.00577  -0.00890   0.57224
   D73        1.23265  -0.00003   0.00295  -0.00059   0.00236   1.23501
   D74       -2.87833  -0.00016   0.00289  -0.00030   0.00259  -2.87573
   D75       -0.83516  -0.00006   0.00282  -0.00052   0.00229  -0.83286
   D76       -0.89573   0.00006   0.00268  -0.00087   0.00181  -0.89392
   D77        1.27648  -0.00007   0.00262  -0.00058   0.00204   1.27852
   D78       -2.96353   0.00002   0.00255  -0.00081   0.00174  -2.96179
   D79       -3.00964   0.00002   0.00283  -0.00062   0.00220  -3.00744
   D80       -0.83743  -0.00011   0.00277  -0.00033   0.00243  -0.83500
   D81        1.20574  -0.00002   0.00269  -0.00056   0.00213   1.20787
   D82        3.13462   0.00016   0.00130   0.00075   0.00205   3.13667
   D83       -0.03324   0.00008   0.00280   0.00141   0.00421  -0.02903
   D84        0.01812   0.00006   0.00048  -0.00097  -0.00048   0.01763
   D85        3.13345  -0.00001   0.00198  -0.00030   0.00168   3.13512
   D86        2.39419  -0.00002   0.00253   0.00380   0.00634   2.40052
   D87       -1.71844  -0.00002   0.00248   0.00336   0.00584  -1.71260
   D88        0.34435  -0.00004   0.00249   0.00405   0.00654   0.35088
   D89       -0.72241   0.00005   0.00111   0.00317   0.00428  -0.71813
   D90        1.44815   0.00004   0.00105   0.00273   0.00378   1.45193
   D91       -2.77225   0.00003   0.00106   0.00342   0.00448  -2.76776
   D92        1.03497   0.00013  -0.00011   0.00032   0.00021   1.03517
   D93       -1.11400   0.00013  -0.00019   0.00029   0.00010  -1.11391
   D94       -3.08989   0.00014  -0.00002   0.00035   0.00033  -3.08956
   D95       -1.11181  -0.00012  -0.00034   0.00040   0.00006  -1.11175
   D96        3.02240  -0.00012  -0.00042   0.00037  -0.00005   3.02236
   D97        1.04652  -0.00011  -0.00025   0.00043   0.00018   1.04670
   D98        3.08055  -0.00003  -0.00018   0.00042   0.00024   3.08079
   D99        0.93159  -0.00002  -0.00027   0.00039   0.00013   0.93171
   D100      -1.04430  -0.00002  -0.00009   0.00045   0.00036  -1.04394
   D101       1.13456  -0.00028  -0.00059  -0.00048  -0.00107   1.13349
   D102      -0.99138  -0.00017  -0.00092  -0.00068  -0.00160  -0.99298
   D103      -3.00309  -0.00025  -0.00123  -0.00117  -0.00241  -3.00550
   D104      -3.00207  -0.00014  -0.00075  -0.00081  -0.00156  -3.00364
   D105       1.15517  -0.00003  -0.00108  -0.00101  -0.00210   1.15308
   D106      -0.85654  -0.00011  -0.00139  -0.00150  -0.00290  -0.85944
   D107      -0.91743  -0.00016  -0.00070  -0.00117  -0.00188  -0.91931
   D108      -3.04337  -0.00005  -0.00104  -0.00137  -0.00241  -3.04578
   D109       1.22810  -0.00013  -0.00135  -0.00186  -0.00321   1.22489
   D110      -1.64021   0.00000  -0.00053   0.00185   0.00131  -1.63890
   D111       1.50911   0.00000  -0.00032   0.00185   0.00152   1.51063
   D112       0.49596   0.00003  -0.00041   0.00201   0.00160   0.49756
   D113      -2.63791   0.00003  -0.00020   0.00201   0.00181  -2.63610
   D114       2.49698   0.00000  -0.00063   0.00198   0.00135   2.49832
   D115      -0.63689   0.00000  -0.00043   0.00198   0.00156  -0.63533
   D116       3.13956   0.00000   0.00013  -0.00006   0.00007   3.13962
   D117      -0.01816   0.00000   0.00010  -0.00027  -0.00017  -0.01834
   D118      -0.00968   0.00000  -0.00008  -0.00006  -0.00014  -0.00983
   D119       3.11578  -0.00001  -0.00011  -0.00027  -0.00038   3.11540
   D120      -3.13880   0.00000  -0.00014  -0.00003  -0.00017  -3.13897
   D121       0.01063  -0.00001  -0.00018  -0.00018  -0.00036   0.01026
   D122       0.01048   0.00000   0.00007  -0.00003   0.00004   0.01052
   D123      -3.12328   0.00000   0.00002  -0.00018  -0.00016  -3.12343
   D124       0.00141   0.00000   0.00005   0.00010   0.00015   0.00156
   D125       3.13779   0.00000   0.00004   0.00013   0.00016   3.13795
   D126      -3.12414   0.00001   0.00008   0.00031   0.00038  -3.12375
   D127       0.01224   0.00001   0.00006   0.00034   0.00040   0.01264
   D128       0.00612   0.00000   0.00000  -0.00004  -0.00005   0.00607
   D129       3.14132   0.00000  -0.00002   0.00007   0.00005   3.14137
   D130      -3.13025   0.00000   0.00001  -0.00007  -0.00006  -3.13032
   D131       0.00496   0.00000  -0.00001   0.00004   0.00003   0.00498
   D132      -0.00532   0.00000  -0.00001  -0.00005  -0.00006  -0.00538
   D133       3.13323   0.00000  -0.00001   0.00001   0.00000   3.13322
   D134      -3.14052   0.00000   0.00001  -0.00016  -0.00015  -3.14068
   D135      -0.00198   0.00000   0.00000  -0.00010  -0.00009  -0.00208
   D136      -0.00301   0.00000  -0.00002   0.00008   0.00006  -0.00295
   D137       3.13078   0.00001   0.00002   0.00024   0.00026   3.13104
   D138      -3.14156   0.00000  -0.00002   0.00002   0.00001  -3.14155
   D139      -0.00776   0.00000   0.00002   0.00017   0.00020  -0.00756
   D140      -1.82776  -0.00041  -0.00319   0.00205  -0.00114  -1.82890
   D141       2.46401  -0.00013  -0.00165   0.00146  -0.00019   2.46382
   D142       0.25674  -0.00023  -0.00221   0.00094  -0.00127   0.25547
   D143       0.31419  -0.00027  -0.00283   0.00218  -0.00065   0.31354
   D144      -1.67722   0.00001  -0.00129   0.00159   0.00030  -1.67692
   D145       2.39869  -0.00010  -0.00185   0.00107  -0.00078   2.39791
   D146       2.32635  -0.00020  -0.00254   0.00256   0.00002   2.32637
   D147       0.33494   0.00008  -0.00101   0.00197   0.00096   0.33590
   D148      -1.87233  -0.00003  -0.00157   0.00145  -0.00012  -1.87245
   D149       1.20866  -0.00022   0.00986  -0.00033   0.00953   1.21819
   D150      -2.93744   0.00025   0.00896   0.00001   0.00897  -2.92847
   D151      -0.90512  -0.00004   0.00932   0.00081   0.01014  -0.89498
   D152      -0.97990  -0.00001  -0.00148   0.00221   0.00073  -0.97917
   D153      -3.13976   0.00002  -0.00178   0.00274   0.00096  -3.13880
   D154       1.14511   0.00001  -0.00147   0.00201   0.00053   1.14564
   D155      -3.04286  -0.00002  -0.00031   0.00156   0.00125  -3.04160
   D156       1.08046   0.00001  -0.00060   0.00209   0.00149   1.08195
   D157      -0.91785   0.00000  -0.00030   0.00136   0.00106  -0.91679
   D158       1.23371   0.00000  -0.00102   0.00189   0.00087   1.23458
   D159      -0.92615   0.00004  -0.00132   0.00242   0.00111  -0.92505
   D160      -2.92447   0.00002  -0.00101   0.00169   0.00068  -2.92379
   D161       2.97513   0.00018  -0.00178   0.00410   0.00231   2.97745
   D162      -1.16827   0.00024  -0.00132   0.00451   0.00319  -1.16508
   D163       0.83669   0.00021  -0.00124   0.00426   0.00302   0.83972
   D164      -1.18612  -0.00015  -0.00160   0.00383   0.00222  -1.18390
   D165       0.95366  -0.00009  -0.00114   0.00424   0.00310   0.95675
   D166       2.95862  -0.00012  -0.00106   0.00399   0.00293   2.96155
   D167       0.85663   0.00002  -0.00175   0.00440   0.00265   0.85928
   D168       2.99641   0.00008  -0.00129   0.00481   0.00352   2.99993
   D169      -1.28181   0.00005  -0.00121   0.00456   0.00335  -1.27845
   D170       1.14367  -0.00028  -0.00078  -0.00566  -0.00645   1.13723
   D171      -1.29586  -0.00009  -0.00029  -0.00634  -0.00662  -1.30249
   D172      -1.01206  -0.00032  -0.00149  -0.00574  -0.00723  -1.01929
   D173       2.83159  -0.00013  -0.00100  -0.00641  -0.00741   2.82418
   D174      -3.09948  -0.00030  -0.00123  -0.00572  -0.00696  -3.10643
   D175       0.74417  -0.00011  -0.00074  -0.00640  -0.00713   0.73704
   D176       1.66450   0.00004   0.00010   0.00332   0.00342   1.66792
   D177      -1.47982   0.00004   0.00000   0.00314   0.00315  -1.47667
   D178      -0.47540   0.00005  -0.00028   0.00358   0.00330  -0.47211
   D179       2.66346   0.00004  -0.00037   0.00340   0.00302   2.66648
   D180      -2.48831  -0.00003  -0.00048   0.00283   0.00235  -2.48596
   D181       0.65055  -0.00003  -0.00058   0.00265   0.00208   0.65263
   D182       3.13639  -0.00001  -0.00013  -0.00034  -0.00047   3.13591
   D183      -0.01201  -0.00001  -0.00021  -0.00043  -0.00064  -0.01265
   D184      -0.00249   0.00000  -0.00004  -0.00017  -0.00021  -0.00270
   D185       3.13229  -0.00001  -0.00012  -0.00025  -0.00037   3.13192
   D186      -3.13603   0.00001   0.00012   0.00029   0.00041  -3.13561
   D187       0.00611   0.00001   0.00015   0.00035   0.00050   0.00662
   D188       0.00284   0.00000   0.00003   0.00012   0.00014   0.00298
   D189      -3.13820   0.00000   0.00006   0.00017   0.00023  -3.13797
   D190       0.00018   0.00000   0.00002   0.00008   0.00010   0.00028
   D191       3.14078   0.00000   0.00001   0.00008   0.00009   3.14087
   D192      -3.13455   0.00000   0.00010   0.00017   0.00027  -3.13429
   D193       0.00604   0.00000   0.00009   0.00016   0.00025   0.00629
   D194       0.00179   0.00000   0.00002   0.00005   0.00007   0.00185
   D195      -3.14077   0.00000   0.00001   0.00007   0.00009  -3.14068
   D196      -3.13881   0.00000   0.00002   0.00006   0.00008  -3.13873
   D197       0.00183   0.00000   0.00002   0.00008   0.00010   0.00192
   D198      -0.00144   0.00000  -0.00003  -0.00010  -0.00013  -0.00156
   D199       3.14002   0.00000  -0.00003  -0.00011  -0.00014   3.13988
   D200       3.14112   0.00000  -0.00003  -0.00012  -0.00015   3.14097
   D201      -0.00061   0.00000  -0.00003  -0.00013  -0.00016  -0.00077
   D202      -0.00088   0.00000   0.00001   0.00002   0.00002  -0.00086
   D203       3.14017   0.00000  -0.00002  -0.00004  -0.00007   3.14010
   D204       3.14085   0.00000   0.00001   0.00003   0.00004   3.14088
   D205      -0.00129   0.00000  -0.00002  -0.00003  -0.00005  -0.00134
   D206       0.56554   0.00001   0.00397   0.00199   0.00596   0.57150
   D207      -2.62737   0.00029   0.00379   0.00300   0.00679  -2.62058
   D208       2.98628  -0.00014   0.00343   0.00294   0.00637   2.99264
   D209      -0.20663   0.00014   0.00324   0.00395   0.00719  -0.19944
   D210       3.09363  -0.00045   0.00106   0.00192   0.00298   3.09661
   D211      -0.09480  -0.00020   0.00089   0.00281   0.00370  -0.09110
   D212      -1.15511  -0.00011   0.00031   0.00090   0.00121  -1.15390
   D213       3.02847  -0.00007   0.00022   0.00105   0.00127   3.02974
   D214       1.00352  -0.00003   0.00043   0.00141   0.00185   1.00537
   D215      -2.02964  -0.00005  -0.00637  -0.00687  -0.01323  -2.04288
   D216       1.08437  -0.00006  -0.00544  -0.00498  -0.01043   1.07394
   D217      -0.07064  -0.00012  -0.00651  -0.00736  -0.01387  -0.08451
   D218       3.04337  -0.00013  -0.00558  -0.00548  -0.01106   3.03231
   D219       2.14041  -0.00006  -0.00650  -0.00714  -0.01364   2.12677
   D220      -1.02877  -0.00008  -0.00557  -0.00526  -0.01083  -1.03960
   D221       3.13132   0.00001   0.00079   0.00184   0.00263   3.13395
   D222      -0.01677  -0.00006  -0.00027   0.00000  -0.00027  -0.01704
   D223       0.01514   0.00002  -0.00007   0.00009   0.00002   0.01516
   D224      -3.13295  -0.00005  -0.00113  -0.00175  -0.00288  -3.13583
   D225      -3.13828  -0.00001  -0.00049  -0.00203  -0.00252  -3.14081
   D226      -0.01896  -0.00002   0.00025  -0.00053  -0.00028  -0.01924
   D227      -0.00044  -0.00001  -0.00023   0.00059   0.00036  -0.00008
   D228      -3.13620   0.00005   0.00072   0.00225   0.00297  -3.13322
   D229      -0.01480   0.00000   0.00042  -0.00100  -0.00058  -0.01538
   D230      -3.11313  -0.00008  -0.00099  -0.00347  -0.00445  -3.11758
   D231       0.01984   0.00001  -0.00039   0.00090   0.00051   0.02035
   D232       3.11994   0.00009   0.00096   0.00327   0.00422   3.12416
   D233      -0.95934   0.00003   0.00559  -0.01538  -0.00979  -0.96912
   D234       1.13501   0.00001   0.00517  -0.01548  -0.01031   1.12470
   D235      -3.04630  -0.00007   0.00460  -0.01538  -0.01078  -3.05709
   D236      -3.12765   0.00005   0.00592  -0.01511  -0.00919  -3.13684
   D237      -1.03330   0.00003   0.00550  -0.01522  -0.00972  -1.04302
   D238       1.06856  -0.00005   0.00493  -0.01512  -0.01019   1.05838
   D239       1.08864   0.00001   0.00575  -0.01544  -0.00969   1.07894
   D240      -3.10020   0.00000   0.00533  -0.01555  -0.01022  -3.11042
   D241      -0.99833  -0.00008   0.00476  -0.01545  -0.01069  -1.00902
   D242       2.95161   0.00005   0.00141   0.00439   0.00579   2.95740
   D243      -1.25865   0.00001   0.00217   0.00435   0.00653  -1.25212
   D244       0.87115   0.00003   0.00151   0.00462   0.00613   0.87728
   D245      -1.14084  -0.00001   0.00145   0.00403   0.00548  -1.13535
   D246       0.93209  -0.00005   0.00222   0.00400   0.00622   0.93831
   D247       3.06189  -0.00003   0.00155   0.00427   0.00582   3.06771
   D248       0.92770   0.00002   0.00155   0.00448   0.00603   0.93374
   D249       3.00063  -0.00002   0.00232   0.00445   0.00677   3.00740
   D250      -1.15276  -0.00001   0.00166   0.00472   0.00637  -1.14638
   D251       0.00029   0.00001   0.00028   0.00027   0.00055   0.00084
   D252       3.13200   0.00001  -0.00065   0.00120   0.00055   3.13255
         Item               Value     Threshold  Converged?
 Maximum Force            0.000644     0.000450     NO 
 RMS     Force            0.000105     0.000300     YES
 Maximum Displacement     0.043282     0.001800     NO 
 RMS     Displacement     0.011199     0.001200     NO 
 Predicted change in Energy=-1.538401D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.799803   -1.992217    0.954248
      2          6           0       -9.316798   -0.938309   -0.046761
      3          6           0      -10.043051    0.397615    0.138366
      4          6           0       -7.837344   -0.746948    0.070403
      5          7           0       -6.943925   -0.966063   -0.863920
      6          6           0       -5.623040   -0.686074   -0.425048
      7          6           0       -4.502746   -0.909359   -1.402072
      8          7           0       -3.916462    0.351647   -1.924220
      9          6           0       -4.804811    1.084187   -2.869081
     10          6           0       -3.095496    1.172612   -1.108695
     11          8           0       -2.914865    2.360535   -1.355171
     12          7           0       -2.434278    0.555106   -0.004220
     13          6           0       -1.305037    1.313700    0.581250
     14          6           0       -0.017206    1.069072   -0.233253
     15          8           0        0.218439    0.022798   -0.828111
     16          7           0        0.899018    2.114956   -0.234073
     17          6           0        2.189481    2.020243   -0.971188
     18          6           0        2.476980    3.348318   -1.705514
     19          6           0        2.566567    4.548802   -0.804590
     20          6           0        1.431156    5.343597   -0.579478
     21          6           0        1.510213    6.458533    0.258992
     22          6           0        2.719787    6.790580    0.877109
     23          6           0        3.854469    6.006060    0.647451
     24          6           0        3.781642    4.890325   -0.190765
     25          6           0        3.325194    1.626955   -0.003026
     26          6           0        3.112354    0.219698    0.564698
     27          8           0        2.658332    0.322482    1.931625
     28          6           0        4.403482   -0.638351    0.716638
     29          6           0        5.158590   -0.770042   -0.615784
     30          6           0        6.511010   -1.399697   -0.426788
     31          6           0        6.673565   -2.779901   -0.622352
     32          6           0        7.929977   -3.366110   -0.454106
     33          6           0        9.029971   -2.581767   -0.090251
     34          6           0        8.868758   -1.207088    0.107359
     35          6           0        7.613828   -0.614224   -0.059097
     36          7           0        4.015786   -1.972128    1.275850
     37          6           0        3.210039   -2.811175    0.502932
     38          8           0        3.170594   -2.933975   -0.711563
     39          8           0        2.434734   -3.601117    1.342548
     40          6           0        1.489291   -4.497816    0.675882
     41          6           0        0.448576   -3.716101   -0.019782
     42          6           0       -0.904126   -3.664448    0.179807
     43          7           0       -1.606387   -2.788416   -0.673606
     44          6           0       -0.793054   -2.177829   -1.516570
     45         16           0        0.897025   -2.617245   -1.305668
     46          6           0       -1.127022    0.891953    2.069221
     47          6           0       -0.575751   -0.525652    2.217230
     48          6           0       -0.241366    1.900792    2.806476
     49          6           0       -5.518928   -0.243568    0.862836
     50         16           0       -7.095186   -0.161734    1.585399
     51          1           0      -10.867085   -2.201845    0.815858
     52          1           0       -9.260767   -2.939940    0.829259
     53          1           0       -9.665756   -1.672689    1.994449
     54          1           0       -9.531610   -1.316063   -1.087497
     55          1           0       -9.932086    0.795081    1.154226
     56          1           0       -9.665376    1.159213   -0.555429
     57          1           0      -11.117495    0.287181   -0.049921
     58          1           0       -3.702882   -1.539739   -0.935552
     59          1           0       -4.870010   -1.502839   -2.278605
     60          1           0       -4.882854    0.500909   -3.801146
     61          1           0       -4.372694    2.073367   -3.113652
     62          1           0       -5.818033    1.241303   -2.463838
     63          1           0       -2.283081   -0.463555   -0.033290
     64          1           0       -1.577452    2.410221    0.537937
     65          1           0        0.712701    2.990410    0.251257
     66          1           0        2.080631    1.207633   -1.748864
     67          1           0        1.685736    3.508028   -2.472316
     68          1           0        3.413799    3.238571   -2.291156
     69          1           0        0.487939    5.102776   -1.069827
     70          1           0        0.626330    7.073172    0.426859
     71          1           0        2.779439    7.659312    1.529554
     72          1           0        4.800067    6.266676    1.121314
     73          1           0        4.672309    4.292276   -0.370766
     74          1           0        3.398977    2.352324    0.834634
     75          1           0        4.297406    1.697326   -0.531402
     76          1           0        2.338338   -0.338681   -0.023272
     77          1           0        1.731251    0.682282    1.962477
     78          1           0        5.071797   -0.167950    1.490131
     79          1           0        4.553859   -1.367311   -1.342430
     80          1           0        5.261318    0.232000   -1.084333
     81          1           0        5.812941   -3.390991   -0.899473
     82          1           0        8.052522   -4.437248   -0.605930
     83          1           0       10.007350   -3.040662    0.039262
     84          1           0        9.722820   -0.595376    0.391997
     85          1           0        7.496928    0.454743    0.097820
     86          1           0        3.785262   -1.933997    2.280768
     87          1           0        1.106531   -5.075636    1.541833
     88          1           0        2.059759   -5.157236   -0.009692
     89          1           0       -1.480729   -4.224225    0.908204
     90          1           0       -1.098345   -1.441933   -2.255241
     91          1           0       -2.150414    0.922179    2.531248
     92          1           0       -1.194229   -1.265531    1.691167
     93          1           0        0.442995   -0.632126    1.814863
     94          1           0       -0.539639   -0.830870    3.269577
     95          1           0       -0.264013    1.716342    3.889109
     96          1           0        0.815617    1.835748    2.502312
     97          1           0       -0.572038    2.934100    2.655214
     98          1           0       -4.627730    0.037250    1.401112
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0815685      0.0289263      0.0233486
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.3666412812 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258537545173     A.U. after   14 cycles
             Convg  =    0.7188D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000006094    0.000015974    0.000014798
      2        6           0.000014971   -0.000008243   -0.000013893
      3        6          -0.000018897   -0.000005043    0.000017079
      4        6          -0.000014701   -0.000013902    0.000029578
      5        7          -0.000006713    0.000024428   -0.000004284
      6        6          -0.000144227   -0.000106906    0.000046478
      7        6           0.000108130   -0.000040085   -0.000126249
      8        7           0.000053079    0.000011649    0.000096164
      9        6           0.000040452    0.000013479    0.000033323
     10        6          -0.000059610   -0.000003224    0.000134447
     11        8          -0.000037306    0.000007098    0.000018032
     12        7          -0.000056104   -0.000185226   -0.000265076
     13        6           0.000024618    0.000149220   -0.000062386
     14        6          -0.000024411    0.000050153   -0.000220914
     15        8          -0.000003491   -0.000196280    0.000053675
     16        7           0.000066716    0.000132801    0.000058338
     17        6           0.000004388    0.000042324    0.000070841
     18        6           0.000014794   -0.000032962   -0.000009966
     19        6          -0.000008611   -0.000023659   -0.000000020
     20        6           0.000015565   -0.000016606    0.000003506
     21        6          -0.000003820    0.000012864   -0.000000822
     22        6          -0.000006031    0.000003764   -0.000000809
     23        6           0.000010056   -0.000002458   -0.000001999
     24        6           0.000000292    0.000010549   -0.000021346
     25        6           0.000064400   -0.000050091   -0.000093800
     26        6           0.000018866    0.000050499    0.000000147
     27        8          -0.000179542   -0.000121661   -0.000020835
     28        6           0.000330947   -0.000114883    0.000220932
     29        6          -0.000123409    0.000116783    0.000065524
     30        6           0.000010020    0.000033220    0.000003590
     31        6           0.000027846    0.000016829   -0.000037101
     32        6          -0.000019991   -0.000017386   -0.000002472
     33        6           0.000007106    0.000028388    0.000007061
     34        6           0.000034328   -0.000004137   -0.000013821
     35        6          -0.000024143   -0.000008881    0.000026308
     36        7           0.000014344   -0.000052338    0.000039696
     37        6           0.000135769    0.000138410   -0.000030843
     38        8           0.000027968   -0.000101452    0.000050634
     39        8          -0.000078186   -0.000035024    0.000005327
     40        6           0.000007642    0.000045268    0.000047547
     41        6          -0.000029011   -0.000096019   -0.000248475
     42        6           0.000074544    0.000092156    0.000021506
     43        7          -0.000084886   -0.000002185   -0.000016123
     44        6           0.000027345    0.000070697   -0.000025277
     45       16           0.000020609   -0.000012575    0.000210434
     46        6           0.000003457    0.000173444    0.000103125
     47        6           0.000061054   -0.000056799   -0.000072384
     48        6          -0.000023673    0.000024160   -0.000021198
     49        6           0.000028748    0.000062273   -0.000074155
     50       16          -0.000004933    0.000022634   -0.000027720
     51        1          -0.000014660    0.000022278   -0.000008015
     52        1          -0.000012292   -0.000022518    0.000006191
     53        1           0.000017823   -0.000005370   -0.000012003
     54        1           0.000022993   -0.000006658   -0.000020905
     55        1           0.000004828   -0.000003908   -0.000004461
     56        1           0.000005798    0.000005107   -0.000005712
     57        1           0.000012346   -0.000000628    0.000010417
     58        1          -0.000013384    0.000017812    0.000073810
     59        1          -0.000048190    0.000035698   -0.000014114
     60        1          -0.000004886    0.000006873   -0.000006686
     61        1           0.000013598   -0.000002258   -0.000037377
     62        1          -0.000027730   -0.000015649    0.000003528
     63        1           0.000004476    0.000021154    0.000066315
     64        1           0.000023478    0.000015933    0.000067331
     65        1          -0.000025438    0.000038302    0.000001886
     66        1           0.000039100   -0.000000624    0.000003130
     67        1          -0.000004006   -0.000010320   -0.000024532
     68        1          -0.000005333    0.000001338    0.000002416
     69        1          -0.000005579   -0.000009001   -0.000007237
     70        1          -0.000003718   -0.000001171    0.000002756
     71        1           0.000001927   -0.000000476    0.000000153
     72        1          -0.000000115    0.000001977   -0.000000292
     73        1           0.000006840    0.000000820    0.000007816
     74        1          -0.000009168    0.000046176    0.000029965
     75        1           0.000005706    0.000052162   -0.000045970
     76        1           0.000000889    0.000101728   -0.000066932
     77        1          -0.000093366   -0.000103886    0.000077585
     78        1           0.000154705   -0.000012575   -0.000067112
     79        1           0.000064137   -0.000007947    0.000034446
     80        1          -0.000041985   -0.000090609    0.000008676
     81        1          -0.000004948   -0.000014578    0.000013475
     82        1           0.000004710    0.000000681    0.000000714
     83        1          -0.000001751   -0.000003682   -0.000000879
     84        1          -0.000000584    0.000001968    0.000002405
     85        1           0.000008085    0.000002227    0.000002559
     86        1          -0.000214060    0.000047293   -0.000082182
     87        1          -0.000029213   -0.000077167   -0.000107276
     88        1           0.000011702    0.000026599    0.000026139
     89        1          -0.000019705   -0.000019067   -0.000002791
     90        1           0.000013206   -0.000026823    0.000033357
     91        1           0.000041059    0.000011695   -0.000009444
     92        1          -0.000010579   -0.000023778   -0.000041533
     93        1           0.000120363   -0.000095226    0.000018537
     94        1          -0.000062278   -0.000047092   -0.000022660
     95        1           0.000002094   -0.000038806    0.000052974
     96        1          -0.000266160    0.000196536    0.000035254
     97        1           0.000031835   -0.000036381    0.000017844
     98        1           0.000017170   -0.000019200    0.000022313
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000330947 RMS     0.000066039

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000338196 RMS     0.000073986
 Search for a local minimum.
 Step number  78 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   68   69   71   70   73
                                                     72   74   75   76   77
                                                     78
 DE= -1.88D-05 DEPred=-1.54D-05 R= 1.22D+00
 SS=  1.41D+00  RLast= 6.64D-02 DXNew= 2.2132D-01 1.9926D-01
 Trust test= 1.22D+00 RLast= 6.64D-02 DXMaxT set to 1.99D-01
     Eigenvalues ---    0.00042   0.00090   0.00192   0.00226   0.00247
     Eigenvalues ---    0.00311   0.00370   0.00436   0.00544   0.00611
     Eigenvalues ---    0.00664   0.00717   0.00759   0.00812   0.00885
     Eigenvalues ---    0.00909   0.00982   0.01067   0.01185   0.01264
     Eigenvalues ---    0.01302   0.01412   0.01418   0.01454   0.01497
     Eigenvalues ---    0.01586   0.01608   0.01705   0.01738   0.01757
     Eigenvalues ---    0.01927   0.02018   0.02109   0.02194   0.02203
     Eigenvalues ---    0.02204   0.02220   0.02255   0.02258   0.02268
     Eigenvalues ---    0.02290   0.02330   0.02373   0.02404   0.02409
     Eigenvalues ---    0.02415   0.02447   0.02482   0.02485   0.02522
     Eigenvalues ---    0.02526   0.02527   0.02541   0.02681   0.02706
     Eigenvalues ---    0.02930   0.02964   0.03381   0.03890   0.04012
     Eigenvalues ---    0.04080   0.04170   0.04196   0.04334   0.04544
     Eigenvalues ---    0.04599   0.04737   0.04939   0.04966   0.05088
     Eigenvalues ---    0.05172   0.05194   0.05257   0.05376   0.05408
     Eigenvalues ---    0.05454   0.05508   0.05525   0.05579   0.05638
     Eigenvalues ---    0.05720   0.05731   0.05825   0.05852   0.05904
     Eigenvalues ---    0.05981   0.06050   0.06139   0.06225   0.06426
     Eigenvalues ---    0.06524   0.06809   0.06913   0.07089   0.07183
     Eigenvalues ---    0.07533   0.08365   0.08407   0.08616   0.08810
     Eigenvalues ---    0.09390   0.09596   0.09874   0.10331   0.11658
     Eigenvalues ---    0.12090   0.12902   0.13125   0.13365   0.13430
     Eigenvalues ---    0.13818   0.14074   0.14572   0.15521   0.15627
     Eigenvalues ---    0.15719   0.15871   0.15955   0.15974   0.15981
     Eigenvalues ---    0.15985   0.15993   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16004   0.16009   0.16018   0.16020
     Eigenvalues ---    0.16033   0.16080   0.16085   0.16115   0.16175
     Eigenvalues ---    0.16235   0.16526   0.16830   0.16882   0.17244
     Eigenvalues ---    0.17840   0.17994   0.18310   0.18745   0.19149
     Eigenvalues ---    0.19950   0.20422   0.20796   0.21160   0.21777
     Eigenvalues ---    0.21857   0.21998   0.22000   0.22003   0.22030
     Eigenvalues ---    0.22195   0.22400   0.22679   0.23141   0.23446
     Eigenvalues ---    0.23493   0.23638   0.23727   0.24107   0.24363
     Eigenvalues ---    0.24623   0.24652   0.24847   0.25000   0.25102
     Eigenvalues ---    0.25245   0.25421   0.25896   0.26968   0.27773
     Eigenvalues ---    0.28558   0.29396   0.29764   0.29904   0.29955
     Eigenvalues ---    0.30029   0.30190   0.30319   0.30431   0.30664
     Eigenvalues ---    0.30832   0.30916   0.31337   0.31426   0.31442
     Eigenvalues ---    0.31502   0.31544   0.31657   0.31737   0.31904
     Eigenvalues ---    0.31947   0.32112   0.32314   0.32417   0.32526
     Eigenvalues ---    0.32594   0.32660   0.32767   0.32838   0.32946
     Eigenvalues ---    0.32986   0.33041   0.33065   0.33130   0.33192
     Eigenvalues ---    0.33240   0.33331   0.33542   0.33671   0.33731
     Eigenvalues ---    0.33769   0.33877   0.33959   0.33992   0.34080
     Eigenvalues ---    0.34213   0.34230   0.34301   0.34321   0.34366
     Eigenvalues ---    0.34508   0.34684   0.34686   0.34748   0.35406
     Eigenvalues ---    0.36242   0.36310   0.36371   0.36465   0.36595
     Eigenvalues ---    0.36718   0.36859   0.36990   0.37128   0.37743
     Eigenvalues ---    0.38464   0.38770   0.39237   0.40233   0.40899
     Eigenvalues ---    0.41488   0.41808   0.42493   0.42878   0.43125
     Eigenvalues ---    0.43389   0.43769   0.44536   0.45208   0.45915
     Eigenvalues ---    0.46143   0.47549   0.47793   0.48294   0.48387
     Eigenvalues ---    0.48632   0.48878   0.49303   0.49656   0.50338
     Eigenvalues ---    0.50967   0.51178   0.51361   0.51573   0.56428
     Eigenvalues ---    0.58338   0.58993   0.61241   0.62564   0.64479
     Eigenvalues ---    0.65847   0.68337   0.77868   0.79785   0.85992
     Eigenvalues ---    1.51695   1.85483   4.237591000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    78   77   76   75   74
 RFO step:  Lambda=-5.31982897D-06.
 DIIS coeffs:      1.50583     -0.29949     -0.21574      0.34485     -0.33546
 Iteration  1 RMS(Cart)=  0.01713605 RMS(Int)=  0.00015205
 Iteration  2 RMS(Cart)=  0.00021595 RMS(Int)=  0.00000184
 Iteration  3 RMS(Cart)=  0.00000011 RMS(Int)=  0.00000184
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89445   0.00000   0.00000   0.00002   0.00002   2.89447
    R2        2.07198   0.00000  -0.00001  -0.00002  -0.00002   2.07195
    R3        2.07385   0.00000   0.00002   0.00002   0.00004   2.07389
    R4        2.07189   0.00000  -0.00002  -0.00001  -0.00003   2.07185
    R5        2.89468   0.00000   0.00001  -0.00006  -0.00005   2.89463
    R6        2.82773   0.00002   0.00003   0.00002   0.00005   2.82779
    R7        2.13127   0.00000  -0.00003   0.00000  -0.00002   2.13125
    R8        2.07204   0.00000   0.00000   0.00001   0.00000   2.07205
    R9        2.07356   0.00000  -0.00001  -0.00002  -0.00003   2.07353
   R10        2.07188   0.00001  -0.00003   0.00003   0.00000   2.07188
   R11        2.47775  -0.00001  -0.00006  -0.00001  -0.00008   2.47768
   R12        3.37436  -0.00004   0.00021  -0.00020   0.00001   3.37437
   R13        2.68297   0.00002   0.00011   0.00006   0.00017   2.68315
   R14        2.84056  -0.00009   0.00019  -0.00050  -0.00031   2.84026
   R15        2.58091  -0.00005   0.00001  -0.00014  -0.00013   2.58077
   R16        2.80706  -0.00009   0.00036  -0.00036   0.00000   2.80706
   R17        2.11683   0.00006  -0.00012   0.00012   0.00000   2.11683
   R18        2.11735   0.00004  -0.00022   0.00009  -0.00013   2.11721
   R19        2.81470   0.00002   0.00003  -0.00003   0.00000   2.81470
   R20        2.68118  -0.00001   0.00032  -0.00037  -0.00005   2.68113
   R21        2.08303   0.00001   0.00000   0.00003   0.00004   2.08307
   R22        2.09156   0.00003  -0.00005   0.00007   0.00002   2.09157
   R23        2.08344  -0.00003   0.00001  -0.00008  -0.00007   2.08337
   R24        2.31793  -0.00002  -0.00005   0.00015   0.00010   2.31803
   R25        2.69800  -0.00016   0.00027  -0.00041  -0.00014   2.69787
   R26        2.79873  -0.00021   0.00023  -0.00040  -0.00017   2.79855
   R27        1.94685   0.00005  -0.00001  -0.00022  -0.00022   1.94663
   R28        2.91641  -0.00017   0.00006  -0.00013  -0.00007   2.91634
   R29        2.94192   0.00002   0.00002   0.00010   0.00012   2.94204
   R30        2.13668  -0.00003   0.00004   0.00001   0.00004   2.13673
   R31        2.31757  -0.00016   0.00012  -0.00045  -0.00033   2.31724
   R32        2.62756  -0.00018   0.00012   0.00078   0.00090   2.62846
   R33        2.81411  -0.00019   0.00014  -0.00003   0.00011   2.81421
   R34        1.92407  -0.00005   0.00002  -0.00031  -0.00029   1.92378
   R35        2.91880   0.00008   0.00001   0.00035   0.00036   2.91916
   R36        2.91646   0.00001  -0.00024   0.00009  -0.00016   2.91631
   R37        2.13544  -0.00001  -0.00012   0.00002  -0.00010   2.13534
   R38        2.84142   0.00002  -0.00013   0.00002  -0.00011   2.84131
   R39        2.10394   0.00001  -0.00002   0.00006   0.00005   2.10398
   R40        2.09807   0.00000   0.00005  -0.00001   0.00004   2.09811
   R41        2.65339   0.00001  -0.00004   0.00004   0.00000   2.65339
   R42        2.65224  -0.00002   0.00002  -0.00003  -0.00001   2.65223
   R43        2.64046  -0.00001   0.00002  -0.00005  -0.00003   2.64043
   R44        2.05980  -0.00001  -0.00002   0.00001  -0.00001   2.05978
   R45        2.64250  -0.00001  -0.00001   0.00000  -0.00001   2.64250
   R46        2.05903   0.00000  -0.00001   0.00001   0.00001   2.05904
   R47        2.64273  -0.00001   0.00001  -0.00005  -0.00004   2.64269
   R48        2.05619   0.00000  -0.00001   0.00001   0.00000   2.05619
   R49        2.64073   0.00000  -0.00003   0.00001  -0.00002   2.64072
   R50        2.05852   0.00000   0.00001   0.00001   0.00002   2.05854
   R51        2.05568  -0.00001   0.00002   0.00000   0.00002   2.05570
   R52        2.89565   0.00006  -0.00037   0.00019  -0.00017   2.89548
   R53        2.09860  -0.00004   0.00034  -0.00028   0.00006   2.09866
   R54        2.09524   0.00001   0.00011   0.00044   0.00054   2.09578
   R55        2.72880   0.00002   0.00016  -0.00019  -0.00003   2.72877
   R56        2.94358  -0.00023   0.00000  -0.00012  -0.00012   2.94346
   R57        2.11835   0.00010  -0.00015   0.00034   0.00019   2.11854
   R58        1.88015  -0.00011  -0.00001  -0.00040  -0.00041   1.87974
   R59        2.90482  -0.00002  -0.00009   0.00021   0.00012   2.90494
   R60        2.82954  -0.00007  -0.00004  -0.00031  -0.00035   2.82919
   R61        2.12644  -0.00006  -0.00001  -0.00012  -0.00014   2.12630
   R62        2.84165  -0.00004  -0.00008  -0.00003  -0.00011   2.84154
   R63        2.11315   0.00000  -0.00012  -0.00007  -0.00019   2.11297
   R64        2.09936   0.00003   0.00003   0.00027   0.00030   2.09967
   R65        2.65211  -0.00002  -0.00001  -0.00003  -0.00004   2.65207
   R66        2.65126  -0.00001   0.00007  -0.00004   0.00004   2.65130
   R67        2.63921   0.00000   0.00001   0.00000   0.00001   2.63922
   R68        2.06223  -0.00001  -0.00006   0.00008   0.00002   2.06225
   R69        2.64398  -0.00002  -0.00001  -0.00006  -0.00007   2.64391
   R70        2.05746   0.00000   0.00000   0.00001   0.00001   2.05747
   R71        2.64209   0.00001   0.00001   0.00002   0.00003   2.64212
   R72        2.05505   0.00000  -0.00001   0.00000  -0.00002   2.05504
   R73        2.64159  -0.00003  -0.00001  -0.00004  -0.00006   2.64154
   R74        2.05679   0.00000   0.00001  -0.00001   0.00000   2.05679
   R75        2.05362   0.00000   0.00003  -0.00001   0.00001   2.05363
   R76        2.63929   0.00003   0.00017  -0.00029  -0.00013   2.63916
   R77        1.94968  -0.00017  -0.00008  -0.00061  -0.00069   1.94899
   R78        2.30797  -0.00011   0.00010   0.00021   0.00030   2.30827
   R79        2.62533  -0.00009  -0.00068  -0.00032  -0.00100   2.62433
   R80        2.76596   0.00000   0.00024   0.00021   0.00045   2.76641
   R81        2.78894   0.00002  -0.00024   0.00016  -0.00007   2.78887
   R82        2.09602  -0.00012   0.00031  -0.00004   0.00027   2.09629
   R83        2.09605   0.00000  -0.00018  -0.00001  -0.00019   2.09585
   R84        2.58575   0.00003   0.00037   0.00013   0.00051   2.58626
   R85        3.30680  -0.00019  -0.00035  -0.00028  -0.00063   3.30617
   R86        2.66506  -0.00004  -0.00034  -0.00009  -0.00043   2.66463
   R87        2.04962  -0.00002  -0.00009  -0.00009  -0.00018   2.04944
   R88        2.49624  -0.00005   0.00031   0.00002   0.00033   2.49657
   R89        3.32395   0.00002  -0.00030  -0.00009  -0.00038   3.32357
   R90        2.05310  -0.00002  -0.00015  -0.00007  -0.00023   2.05287
   R91        2.88789  -0.00025  -0.00007  -0.00050  -0.00057   2.88732
   R92        2.89424  -0.00008  -0.00029   0.00051   0.00022   2.89446
   R93        2.12265   0.00004  -0.00009   0.00013   0.00004   2.12270
   R94        2.07584  -0.00003  -0.00018  -0.00029  -0.00047   2.07537
   R95        2.07962  -0.00011   0.00044  -0.00106  -0.00063   2.07900
   R96        2.07173  -0.00001   0.00014  -0.00009   0.00005   2.07177
   R97        2.07580   0.00006  -0.00004   0.00026   0.00022   2.07602
   R98        2.08210   0.00022  -0.00052   0.00064   0.00012   2.08222
   R99        2.07005   0.00003   0.00009   0.00018   0.00027   2.07031
   R100       3.28040   0.00000   0.00024   0.00000   0.00024   3.28064
   R101       2.03778   0.00001   0.00003   0.00004   0.00007   2.03785
    A1        1.93480   0.00000   0.00003   0.00004   0.00007   1.93487
    A2        1.94431   0.00000  -0.00005  -0.00006  -0.00012   1.94419
    A3        1.96163  -0.00001  -0.00001  -0.00005  -0.00007   1.96156
    A4        1.87406   0.00000  -0.00001   0.00007   0.00006   1.87412
    A5        1.86970   0.00001   0.00006   0.00007   0.00013   1.86984
    A6        1.87515   0.00001  -0.00001  -0.00006  -0.00007   1.87508
    A7        1.95152   0.00000   0.00014  -0.00002   0.00012   1.95164
    A8        1.92687  -0.00003  -0.00009  -0.00028  -0.00037   1.92650
    A9        1.88867   0.00001   0.00002  -0.00009  -0.00007   1.88860
   A10        1.92598   0.00003  -0.00014   0.00040   0.00026   1.92624
   A11        1.88950  -0.00001   0.00002   0.00000   0.00002   1.88951
   A12        1.87906   0.00000   0.00006  -0.00001   0.00005   1.87910
   A13        1.96073   0.00001   0.00002   0.00004   0.00006   1.96079
   A14        1.94521   0.00000  -0.00002   0.00008   0.00006   1.94527
   A15        1.93481   0.00000  -0.00001  -0.00004  -0.00005   1.93476
   A16        1.87482   0.00000  -0.00002   0.00003   0.00001   1.87483
   A17        1.87004  -0.00001   0.00006  -0.00012  -0.00006   1.86997
   A18        1.87405   0.00000  -0.00002   0.00000  -0.00002   1.87403
   A19        2.20996   0.00000   0.00005  -0.00016  -0.00011   2.20984
   A20        2.11679   0.00002  -0.00017   0.00017   0.00000   2.11679
   A21        1.95643  -0.00002   0.00012   0.00000   0.00012   1.95655
   A22        1.96136   0.00002  -0.00010   0.00000  -0.00010   1.96125
   A23        2.05237  -0.00012   0.00008  -0.00041  -0.00033   2.05204
   A24        2.01120  -0.00002   0.00010  -0.00003   0.00008   2.01128
   A25        2.21960   0.00013  -0.00018   0.00044   0.00025   2.21985
   A26        1.97854  -0.00002   0.00072  -0.00010   0.00062   1.97915
   A27        1.92311  -0.00001  -0.00016  -0.00029  -0.00045   1.92266
   A28        1.92076   0.00001  -0.00002   0.00023   0.00021   1.92097
   A29        1.92015   0.00004  -0.00007   0.00040   0.00033   1.92048
   A30        1.87972   0.00000  -0.00048   0.00002  -0.00046   1.87926
   A31        1.83566  -0.00002  -0.00005  -0.00026  -0.00031   1.83536
   A32        1.98787  -0.00006  -0.00030   0.00018  -0.00012   1.98775
   A33        2.11476   0.00003  -0.00033   0.00060   0.00027   2.11504
   A34        2.00993   0.00003  -0.00042   0.00062   0.00019   2.01012
   A35        1.89481   0.00000  -0.00015  -0.00008  -0.00024   1.89458
   A36        1.92502   0.00005  -0.00010   0.00051   0.00041   1.92543
   A37        1.96604  -0.00003   0.00030  -0.00035  -0.00005   1.96599
   A38        1.88990  -0.00002   0.00004  -0.00011  -0.00007   1.88982
   A39        1.89773   0.00001  -0.00013   0.00018   0.00005   1.89778
   A40        1.88879  -0.00001   0.00003  -0.00014  -0.00010   1.88868
   A41        2.12950   0.00003   0.00001   0.00008   0.00009   2.12960
   A42        2.05146  -0.00001   0.00004   0.00004   0.00008   2.05154
   A43        2.10148  -0.00002  -0.00002  -0.00014  -0.00016   2.10132
   A44        2.02350   0.00003  -0.00006   0.00016   0.00009   2.02359
   A45        2.06439  -0.00001   0.00030   0.00037   0.00067   2.06506
   A46        1.98855  -0.00002   0.00016   0.00058   0.00074   1.98929
   A47        1.92456   0.00012   0.00026  -0.00005   0.00020   1.92477
   A48        1.90314   0.00001  -0.00003  -0.00011  -0.00014   1.90300
   A49        1.87328  -0.00003  -0.00010  -0.00026  -0.00036   1.87291
   A50        1.94558  -0.00020  -0.00025   0.00044   0.00018   1.94577
   A51        1.91193   0.00000   0.00000  -0.00033  -0.00033   1.91160
   A52        1.90380   0.00011   0.00014   0.00029   0.00043   1.90423
   A53        2.15502   0.00008  -0.00022   0.00071   0.00049   2.15552
   A54        2.01634  -0.00004   0.00029  -0.00041  -0.00012   2.01622
   A55        2.11159  -0.00005  -0.00007  -0.00031  -0.00038   2.11121
   A56        2.12172  -0.00033  -0.00029  -0.00078  -0.00109   2.12062
   A57        2.12456   0.00016   0.00008   0.00028   0.00033   2.12490
   A58        2.03667   0.00017   0.00018   0.00030   0.00046   2.03713
   A59        1.91978   0.00018  -0.00010   0.00081   0.00071   1.92049
   A60        1.92132  -0.00002   0.00016  -0.00004   0.00012   1.92143
   A61        1.87854  -0.00013   0.00017  -0.00027  -0.00011   1.87843
   A62        1.96101  -0.00015  -0.00031  -0.00012  -0.00043   1.96058
   A63        1.88500   0.00001  -0.00037   0.00010  -0.00027   1.88473
   A64        1.89584   0.00011   0.00048  -0.00050  -0.00003   1.89582
   A65        1.99624   0.00004   0.00017   0.00030   0.00048   1.99671
   A66        1.89494   0.00001  -0.00002   0.00012   0.00011   1.89505
   A67        1.89953  -0.00002  -0.00021  -0.00012  -0.00033   1.89920
   A68        1.91823  -0.00002  -0.00006  -0.00005  -0.00011   1.91812
   A69        1.92272  -0.00001   0.00010  -0.00011  -0.00001   1.92270
   A70        1.82405   0.00000   0.00000  -0.00019  -0.00019   1.82385
   A71        2.09418   0.00002   0.00004   0.00010   0.00013   2.09431
   A72        2.10355  -0.00001  -0.00006  -0.00010  -0.00016   2.10339
   A73        2.08542  -0.00001   0.00002   0.00000   0.00002   2.08545
   A74        2.09685   0.00000  -0.00002  -0.00002  -0.00004   2.09681
   A75        2.09735   0.00000   0.00002   0.00002   0.00004   2.09739
   A76        2.08887   0.00000  -0.00001   0.00000  -0.00001   2.08886
   A77        2.09864   0.00000   0.00000   0.00002   0.00002   2.09866
   A78        2.09055   0.00000   0.00000   0.00001   0.00001   2.09057
   A79        2.09398   0.00000   0.00000  -0.00003  -0.00003   2.09395
   A80        2.08983   0.00000   0.00001   0.00000   0.00000   2.08983
   A81        2.09678   0.00000   0.00001  -0.00001   0.00001   2.09678
   A82        2.09657   0.00000  -0.00002   0.00001  -0.00001   2.09656
   A83        2.09916   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09286   0.00000  -0.00001   0.00003   0.00002   2.09289
   A85        2.09116   0.00000   0.00001  -0.00004  -0.00003   2.09113
   A86        2.09641   0.00000  -0.00001   0.00000  -0.00001   2.09639
   A87        2.09751   0.00000   0.00000  -0.00002  -0.00002   2.09748
   A88        2.08925   0.00000   0.00001   0.00003   0.00004   2.08928
   A89        1.94361   0.00023   0.00049  -0.00028   0.00021   1.94383
   A90        1.93438   0.00004   0.00002   0.00031   0.00033   1.93471
   A91        1.90725  -0.00019  -0.00016  -0.00077  -0.00093   1.90632
   A92        1.90671  -0.00023  -0.00012   0.00127   0.00115   1.90786
   A93        1.93547   0.00009  -0.00044  -0.00026  -0.00070   1.93477
   A94        1.83355   0.00006   0.00017  -0.00026  -0.00009   1.83346
   A95        1.90607  -0.00002   0.00070   0.00221   0.00291   1.90898
   A96        2.01186   0.00025  -0.00008   0.00120   0.00113   2.01299
   A97        1.93804  -0.00010  -0.00032  -0.00039  -0.00071   1.93733
   A98        1.77980  -0.00031  -0.00064  -0.00187  -0.00252   1.77728
   A99        1.89111   0.00020  -0.00034  -0.00161  -0.00194   1.88917
   A100       1.92741  -0.00003   0.00065   0.00022   0.00087   1.92828
   A101       1.92631   0.00020   0.00043  -0.00013   0.00030   1.92661
   A102       1.94961   0.00003   0.00036   0.00056   0.00092   1.95053
   A103       1.88862   0.00017  -0.00046   0.00039  -0.00008   1.88854
   A104       1.90611  -0.00009  -0.00029  -0.00068  -0.00097   1.90514
   A105       1.95477  -0.00022   0.00016  -0.00084  -0.00068   1.95409
   A106       1.91760   0.00007  -0.00029   0.00017  -0.00012   1.91748
   A107       1.84360   0.00005   0.00052   0.00038   0.00090   1.84450
   A108       1.94844   0.00004  -0.00008   0.00056   0.00048   1.94892
   A109       1.92130  -0.00006  -0.00022  -0.00046  -0.00069   1.92061
   A110       1.91106  -0.00002  -0.00027  -0.00061  -0.00088   1.91018
   A111       1.92239   0.00000   0.00031   0.00014   0.00045   1.92284
   A112       1.92573  -0.00001   0.00024  -0.00038  -0.00013   1.92560
   A113       1.83144   0.00004   0.00003   0.00074   0.00076   1.83221
   A114       2.09261  -0.00002   0.00019  -0.00005   0.00014   2.09274
   A115       2.10072   0.00001  -0.00013  -0.00002  -0.00014   2.10057
   A116       2.08986   0.00001  -0.00006   0.00007   0.00001   2.08986
   A117       2.09463  -0.00001   0.00000  -0.00005  -0.00005   2.09458
   A118       2.08834   0.00001   0.00006  -0.00002   0.00004   2.08838
   A119       2.10020   0.00000  -0.00006   0.00007   0.00000   2.10020
   A120       2.09821   0.00000   0.00005   0.00001   0.00006   2.09827
   A121       2.09139   0.00000  -0.00003  -0.00005  -0.00008   2.09131
   A122       2.09358   0.00001  -0.00001   0.00004   0.00002   2.09360
   A123       2.09127   0.00000  -0.00002   0.00000  -0.00002   2.09125
   A124       2.09556   0.00000   0.00003   0.00004   0.00007   2.09563
   A125       2.09636   0.00000  -0.00001  -0.00004  -0.00005   2.09631
   A126       2.09866   0.00000  -0.00002   0.00002  -0.00001   2.09865
   A127       2.09333   0.00000   0.00000  -0.00003  -0.00003   2.09330
   A128       2.09119   0.00000   0.00003   0.00001   0.00004   2.09123
   A129       2.09374  -0.00001   0.00006  -0.00005   0.00001   2.09375
   A130       2.09901  -0.00001  -0.00003   0.00003  -0.00001   2.09901
   A131       2.09043   0.00001  -0.00003   0.00002  -0.00001   2.09042
   A132       2.06898  -0.00012  -0.00022   0.00037   0.00015   2.06913
   A133       1.97002   0.00008  -0.00011   0.00146   0.00135   1.97136
   A134       2.01787   0.00007  -0.00052   0.00142   0.00089   2.01876
   A135       2.25151  -0.00009   0.00000  -0.00048  -0.00047   2.25104
   A136       1.90614   0.00009  -0.00036   0.00007  -0.00029   1.90584
   A137       2.12443   0.00000   0.00038   0.00039   0.00076   2.12520
   A138       2.01923  -0.00014   0.00147   0.00014   0.00161   2.02083
   A139       1.92377   0.00016   0.00069   0.00078   0.00147   1.92524
   A140       1.75835  -0.00007  -0.00074  -0.00054  -0.00128   1.75708
   A141       1.88970  -0.00005  -0.00049  -0.00012  -0.00061   1.88909
   A142       1.98296   0.00000  -0.00017  -0.00014  -0.00031   1.98266
   A143       1.96733  -0.00005   0.00034  -0.00002   0.00032   1.96765
   A144       1.92872   0.00001   0.00025   0.00000   0.00024   1.92896
   A145       2.27622  -0.00005  -0.00083  -0.00049  -0.00132   2.27489
   A146       2.09241   0.00001   0.00091   0.00036   0.00128   2.09368
   A147       1.91434   0.00003  -0.00007   0.00016   0.00009   1.91443
   A148       2.01247  -0.00003   0.00007  -0.00015  -0.00008   2.01239
   A149       2.21934   0.00000  -0.00024   0.00009  -0.00015   2.21919
   A150       2.05134   0.00003   0.00016   0.00006   0.00022   2.05156
   A151       1.94625   0.00001  -0.00015  -0.00001  -0.00016   1.94608
   A152       1.98190  -0.00002   0.00005   0.00008   0.00013   1.98202
   A153       2.18211  -0.00001  -0.00015  -0.00014  -0.00029   2.18182
   A154       2.11850   0.00003   0.00011   0.00006   0.00017   2.11867
   A155       1.56954   0.00001   0.00008  -0.00006   0.00002   1.56956
   A156       1.96613   0.00007  -0.00039   0.00009  -0.00031   1.96582
   A157       1.92599   0.00011  -0.00001  -0.00011  -0.00012   1.92587
   A158       1.85633  -0.00006   0.00005  -0.00002   0.00003   1.85636
   A159       1.93457  -0.00032   0.00019   0.00070   0.00089   1.93546
   A160       1.88997   0.00006   0.00035  -0.00024   0.00011   1.89008
   A161       1.88718   0.00015  -0.00018  -0.00049  -0.00067   1.88651
   A162       1.95553   0.00001  -0.00014  -0.00071  -0.00085   1.95468
   A163       1.96955  -0.00013   0.00014   0.00131   0.00146   1.97101
   A164       1.94239   0.00003   0.00065   0.00024   0.00089   1.94329
   A165       1.85557   0.00006   0.00010  -0.00042  -0.00032   1.85526
   A166       1.86578   0.00004  -0.00011   0.00076   0.00065   1.86642
   A167       1.86872   0.00000  -0.00071  -0.00125  -0.00196   1.86676
   A168       1.93040   0.00005  -0.00006  -0.00016  -0.00022   1.93018
   A169       1.96381  -0.00034   0.00007  -0.00018  -0.00011   1.96370
   A170       1.96093   0.00011  -0.00005   0.00011   0.00005   1.96099
   A171       1.85662   0.00008   0.00002   0.00035   0.00037   1.85699
   A172       1.86321  -0.00004  -0.00026   0.00015  -0.00012   1.86310
   A173       1.88300   0.00016   0.00028  -0.00024   0.00004   1.88304
   A174       1.91619   0.00000  -0.00003   0.00000  -0.00003   1.91616
   A175       2.23710   0.00003   0.00010   0.00012   0.00022   2.23731
   A176       2.12985  -0.00004  -0.00006  -0.00012  -0.00018   2.12967
   A177       1.57959   0.00001  -0.00009   0.00003  -0.00006   1.57953
    D1        1.07621   0.00001   0.00049  -0.00045   0.00004   1.07624
    D2       -3.05559   0.00003   0.00034  -0.00015   0.00019  -3.05540
    D3       -1.00324   0.00001   0.00037  -0.00038  -0.00001  -1.00324
    D4       -3.12117   0.00001   0.00046  -0.00038   0.00008  -3.12108
    D5       -0.96978   0.00003   0.00032  -0.00008   0.00024  -0.96954
    D6        1.08257   0.00002   0.00034  -0.00031   0.00004   1.08261
    D7       -1.01565   0.00000   0.00041  -0.00054  -0.00014  -1.01579
    D8        1.13574   0.00002   0.00026  -0.00024   0.00002   1.13576
    D9       -3.09510   0.00001   0.00029  -0.00047  -0.00018  -3.09528
   D10        0.99800   0.00000   0.00131  -0.00123   0.00008   0.99808
   D11        3.10310   0.00000   0.00128  -0.00111   0.00018   3.10328
   D12       -1.09368   0.00000   0.00124  -0.00108   0.00015  -1.09353
   D13       -1.15390   0.00001   0.00144  -0.00115   0.00029  -1.15361
   D14        0.95120   0.00002   0.00141  -0.00102   0.00038   0.95159
   D15        3.03761   0.00002   0.00136  -0.00100   0.00036   3.03797
   D16        3.07695   0.00000   0.00143  -0.00136   0.00007   3.07702
   D17       -1.10113   0.00000   0.00140  -0.00123   0.00017  -1.10096
   D18        0.98527   0.00000   0.00136  -0.00121   0.00015   0.98542
   D19        2.06624  -0.00002  -0.00227  -0.00479  -0.00707   2.05918
   D20       -1.07802  -0.00001  -0.00183  -0.00446  -0.00629  -1.08431
   D21       -2.05078  -0.00002  -0.00226  -0.00473  -0.00699  -2.05777
   D22        1.08814  -0.00001  -0.00182  -0.00439  -0.00621   1.08193
   D23        0.00798  -0.00001  -0.00228  -0.00452  -0.00680   0.00118
   D24       -3.13628   0.00000  -0.00184  -0.00418  -0.00602   3.14088
   D25       -3.14003   0.00001   0.00005   0.00092   0.00097  -3.13907
   D26        0.00402   0.00001  -0.00035   0.00060   0.00025   0.00428
   D27        3.14103  -0.00001  -0.00008  -0.00081  -0.00089   3.14014
   D28       -0.00288   0.00000   0.00030  -0.00052  -0.00021  -0.00309
   D29        3.13232   0.00000  -0.00018  -0.00031  -0.00050   3.13182
   D30       -0.00352  -0.00001   0.00024  -0.00041  -0.00017  -0.00369
   D31        1.87318   0.00000   0.00081   0.01041   0.01122   1.88440
   D32       -2.24956   0.00003   0.00111   0.01064   0.01176  -2.23780
   D33       -0.23305   0.00001   0.00095   0.01030   0.01125  -0.22180
   D34       -1.27495   0.00000   0.00033   0.01052   0.01085  -1.26410
   D35        0.88550   0.00003   0.00064   0.01075   0.01138   0.89688
   D36        2.90201   0.00001   0.00047   0.01041   0.01087   2.91288
   D37        0.00123   0.00001   0.00000   0.00001   0.00000   0.00124
   D38       -3.12971   0.00000  -0.00069  -0.00026  -0.00095  -3.13066
   D39       -3.13396   0.00000   0.00047  -0.00010   0.00037  -3.13359
   D40        0.01828   0.00000  -0.00022  -0.00036  -0.00058   0.01770
   D41       -1.24847   0.00003   0.00072   0.00105   0.00177  -1.24670
   D42        1.26894   0.00005  -0.00114   0.00352   0.00239   1.27133
   D43        2.87265   0.00003   0.00046   0.00119   0.00166   2.87431
   D44       -0.89312   0.00005  -0.00140   0.00367   0.00228  -0.89084
   D45        0.88080   0.00003   0.00082   0.00128   0.00210   0.88291
   D46       -2.88497   0.00005  -0.00104   0.00376   0.00272  -2.88225
   D47       -1.20638   0.00002  -0.00247  -0.00320  -0.00567  -1.21205
   D48        3.00871   0.00002  -0.00236  -0.00332  -0.00568   3.00304
   D49        0.89633   0.00002  -0.00254  -0.00326  -0.00580   0.89053
   D50        2.52056   0.00000  -0.00076  -0.00553  -0.00629   2.51428
   D51        0.45248  -0.00001  -0.00065  -0.00565  -0.00630   0.44618
   D52       -1.65990  -0.00001  -0.00083  -0.00559  -0.00642  -1.66633
   D53       -2.77204  -0.00002   0.00222  -0.00165   0.00057  -2.77147
   D54        0.41075   0.00003   0.00164  -0.00127   0.00036   0.41112
   D55       -0.26193  -0.00003   0.00038   0.00071   0.00109  -0.26084
   D56        2.92086   0.00002  -0.00021   0.00109   0.00088   2.92175
   D57        2.84497  -0.00005  -0.00025   0.00061   0.00036   2.84534
   D58        0.38905  -0.00004  -0.00087  -0.00120  -0.00207   0.38698
   D59       -0.25612   0.00000  -0.00083   0.00098   0.00016  -0.25596
   D60       -2.71204   0.00001  -0.00145  -0.00084  -0.00228  -2.71432
   D61       -1.44626  -0.00004  -0.00026   0.00378   0.00352  -1.44274
   D62        2.69534   0.00013  -0.00009   0.00334   0.00325   2.69859
   D63        0.63530   0.00000  -0.00018   0.00320   0.00302   0.63832
   D64        1.03918  -0.00005   0.00039   0.00545   0.00584   1.04502
   D65       -1.10241   0.00012   0.00057   0.00501   0.00557  -1.09683
   D66        3.12074   0.00000   0.00048   0.00487   0.00534   3.12608
   D67       -0.53463  -0.00013  -0.00193   0.00141  -0.00052  -0.53514
   D68        2.63015  -0.00008  -0.00206   0.00189  -0.00017   2.62998
   D69        1.58188  -0.00016  -0.00197   0.00153  -0.00043   1.58144
   D70       -1.53653  -0.00011  -0.00210   0.00201  -0.00008  -1.53661
   D71       -2.59254  -0.00015  -0.00196   0.00196   0.00000  -2.59253
   D72        0.57224  -0.00010  -0.00209   0.00244   0.00035   0.57260
   D73        1.23501   0.00002   0.00130   0.00588   0.00719   1.24220
   D74       -2.87573  -0.00025   0.00125   0.00679   0.00804  -2.86769
   D75       -0.83286  -0.00005   0.00107   0.00614   0.00721  -0.82566
   D76       -0.89392  -0.00001   0.00117   0.00574   0.00691  -0.88701
   D77        1.27852  -0.00028   0.00112   0.00664   0.00776   1.28628
   D78       -2.96179  -0.00008   0.00093   0.00599   0.00692  -2.95487
   D79       -3.00744   0.00005   0.00124   0.00567   0.00692  -3.00052
   D80       -0.83500  -0.00022   0.00119   0.00658   0.00777  -0.82723
   D81        1.20787  -0.00002   0.00101   0.00593   0.00693   1.21481
   D82        3.13667  -0.00016   0.00050   0.00443   0.00493   3.14159
   D83       -0.02903  -0.00017  -0.00172  -0.00557  -0.00730  -0.03633
   D84        0.01763  -0.00011   0.00037   0.00488   0.00526   0.02289
   D85        3.13512  -0.00012  -0.00185  -0.00512  -0.00697   3.12816
   D86        2.40052  -0.00007  -0.00056  -0.00831  -0.00888   2.39165
   D87       -1.71260  -0.00015  -0.00092  -0.00793  -0.00885  -1.72146
   D88        0.35088  -0.00011  -0.00016  -0.00872  -0.00888   0.34200
   D89       -0.71813  -0.00006   0.00155   0.00121   0.00276  -0.71536
   D90        1.45193  -0.00014   0.00120   0.00159   0.00279   1.45472
   D91       -2.76776  -0.00010   0.00195   0.00080   0.00276  -2.76501
   D92        1.03517   0.00002   0.00027   0.00005   0.00032   1.03549
   D93       -1.11391   0.00001   0.00024  -0.00020   0.00005  -1.11386
   D94       -3.08956   0.00002   0.00036   0.00003   0.00039  -3.08917
   D95       -1.11175   0.00002   0.00036  -0.00040  -0.00004  -1.11179
   D96        3.02236   0.00001   0.00033  -0.00064  -0.00031   3.02204
   D97        1.04670   0.00002   0.00045  -0.00042   0.00003   1.04673
   D98        3.08079  -0.00003   0.00020   0.00023   0.00043   3.08122
   D99        0.93171  -0.00004   0.00017  -0.00002   0.00016   0.93187
   D100      -1.04394  -0.00003   0.00029   0.00021   0.00050  -1.04344
   D101       1.13349  -0.00026  -0.00250  -0.00872  -0.01123   1.12226
   D102      -0.99298  -0.00015  -0.00271  -0.01037  -0.01308  -1.00606
   D103      -3.00550  -0.00013  -0.00283  -0.00977  -0.01261  -3.01811
   D104      -3.00364  -0.00015  -0.00274  -0.00779  -0.01053  -3.01417
   D105       1.15308  -0.00003  -0.00294  -0.00944  -0.01238   1.14069
   D106      -0.85944  -0.00001  -0.00307  -0.00884  -0.01192  -0.87136
   D107      -0.91931  -0.00016  -0.00307  -0.00807  -0.01115  -0.93046
   D108      -3.04578  -0.00004  -0.00328  -0.00972  -0.01300  -3.05878
   D109       1.22489  -0.00002  -0.00341  -0.00912  -0.01253   1.21236
   D110      -1.63890  -0.00002   0.00149   0.00139   0.00289  -1.63601
   D111       1.51063  -0.00001   0.00148   0.00162   0.00310   1.51373
   D112       0.49756   0.00001   0.00155   0.00174   0.00329   0.50084
   D113      -2.63610   0.00002   0.00154   0.00196   0.00350  -2.63260
   D114       2.49832  -0.00001   0.00157   0.00141   0.00298   2.50131
   D115      -0.63533   0.00000   0.00156   0.00164   0.00320  -0.63213
   D116       3.13962   0.00000  -0.00007   0.00003  -0.00004   3.13959
   D117      -0.01834   0.00000  -0.00024  -0.00025  -0.00049  -0.01883
   D118      -0.00983   0.00000  -0.00006  -0.00019  -0.00025  -0.01007
   D119       3.11540  -0.00001  -0.00023  -0.00048  -0.00071   3.11469
   D120      -3.13897   0.00000  -0.00002  -0.00006  -0.00008  -3.13906
   D121       0.01026  -0.00001  -0.00012   0.00008  -0.00004   0.01022
   D122       0.01052   0.00000  -0.00003   0.00016   0.00013   0.01065
   D123      -3.12343   0.00000  -0.00013   0.00030   0.00017  -3.12326
   D124       0.00156   0.00000   0.00010   0.00007   0.00017   0.00172
   D125       3.13795   0.00000   0.00015  -0.00006   0.00010   3.13805
   D126      -3.12375   0.00000   0.00027   0.00035   0.00062  -3.12313
   D127       0.01264   0.00000   0.00033   0.00023   0.00055   0.01320
   D128       0.00607   0.00000  -0.00005   0.00008   0.00003   0.00610
   D129       3.14137   0.00000   0.00004  -0.00008  -0.00004   3.14133
   D130      -3.13032   0.00000  -0.00010   0.00021   0.00010  -3.13021
   D131       0.00498   0.00000  -0.00001   0.00004   0.00003   0.00501
   D132      -0.00538   0.00000  -0.00004  -0.00011  -0.00015  -0.00553
   D133       3.13322   0.00000   0.00000  -0.00021  -0.00021   3.13301
   D134      -3.14068   0.00000  -0.00013   0.00006  -0.00007  -3.14075
   D135      -0.00208   0.00000  -0.00009  -0.00004  -0.00014  -0.00221
   D136      -0.00295   0.00000   0.00008  -0.00002   0.00007  -0.00288
   D137       3.13104   0.00000   0.00018  -0.00015   0.00003   3.13107
   D138      -3.14155   0.00000   0.00005   0.00009   0.00013  -3.14142
   D139      -0.00756   0.00000   0.00014  -0.00005   0.00009  -0.00747
   D140      -1.82890  -0.00022   0.00081   0.00227   0.00308  -1.82581
   D141       2.46382   0.00005   0.00119   0.00242   0.00361   2.46744
   D142       0.25547  -0.00004   0.00064   0.00146   0.00210   0.25757
   D143       0.31354  -0.00018   0.00108   0.00335   0.00444   0.31798
   D144      -1.67692   0.00008   0.00147   0.00350   0.00497  -1.67195
   D145       2.39791   0.00000   0.00091   0.00254   0.00345   2.40136
   D146       2.32637  -0.00020   0.00098   0.00363   0.00461   2.33098
   D147       0.33590   0.00006   0.00136   0.00378   0.00514   0.34104
   D148      -1.87245  -0.00002   0.00081   0.00282   0.00363  -1.86883
   D149       1.21819  -0.00007  -0.00924  -0.05197  -0.06121   1.15698
   D150      -2.92847   0.00004  -0.00935  -0.05056  -0.05991  -2.98837
   D151      -0.89498  -0.00006  -0.00906  -0.05185  -0.06090  -0.95589
   D152      -0.97917  -0.00009   0.00280   0.00919   0.01199  -0.96718
   D153      -3.13880   0.00005   0.00269   0.00960   0.01229  -3.12651
   D154       1.14564  -0.00005   0.00248   0.00930   0.01178   1.15742
   D155      -3.04160   0.00001   0.00242   0.00713   0.00955  -3.03206
   D156       1.08195   0.00015   0.00230   0.00755   0.00985   1.09180
   D157      -0.91679   0.00006   0.00209   0.00724   0.00933  -0.90746
   D158       1.23458  -0.00005   0.00286   0.00983   0.01270   1.24728
   D159      -0.92505   0.00010   0.00275   0.01025   0.01300  -0.91205
   D160      -2.92379   0.00000   0.00254   0.00994   0.01248  -2.91131
   D161       2.97745   0.00000  -0.00019   0.00957   0.00938   2.98683
   D162      -1.16508  -0.00001  -0.00001   0.00981   0.00980  -1.15528
   D163       0.83972   0.00000  -0.00026   0.01010   0.00984   0.84956
   D164      -1.18390   0.00008  -0.00042   0.00988   0.00946  -1.17444
   D165       0.95675   0.00008  -0.00024   0.01012   0.00988   0.96663
   D166       2.96155   0.00008  -0.00049   0.01040   0.00991   2.97147
   D167       0.85928   0.00004   0.00013   0.00995   0.01008   0.86936
   D168       2.99993   0.00004   0.00031   0.01019   0.01050   3.01043
   D169      -1.27845   0.00005   0.00006   0.01047   0.01054  -1.26791
   D170       1.13723   0.00000  -0.00204   0.00087  -0.00117   1.13606
   D171      -1.30249  -0.00007  -0.00069  -0.00402  -0.00471  -1.30720
   D172      -1.01929  -0.00002  -0.00227   0.00044  -0.00183  -1.02112
   D173       2.82418  -0.00009  -0.00092  -0.00445  -0.00537   2.81880
   D174      -3.10643   0.00000  -0.00233   0.00046  -0.00187  -3.10830
   D175       0.73704  -0.00007  -0.00098  -0.00443  -0.00542   0.73162
   D176       1.66792   0.00000   0.00122   0.00508   0.00630   1.67422
   D177      -1.47667   0.00000   0.00119   0.00478   0.00597  -1.47070
   D178      -0.47211   0.00004   0.00135   0.00518   0.00653  -0.46558
   D179       2.66648   0.00004   0.00132   0.00489   0.00620   2.67269
   D180      -2.48596  -0.00001   0.00099   0.00442   0.00542  -2.48054
   D181       0.65263  -0.00001   0.00096   0.00413   0.00509   0.65772
   D182       3.13591   0.00000  -0.00015  -0.00030  -0.00044   3.13547
   D183      -0.01265  -0.00001  -0.00014  -0.00044  -0.00058  -0.01323
   D184      -0.00270   0.00000  -0.00012   0.00000  -0.00012  -0.00281
   D185       3.13192  -0.00001  -0.00011  -0.00014  -0.00025   3.13167
   D186      -3.13561   0.00000   0.00012   0.00028   0.00040  -3.13522
   D187       0.00662   0.00000   0.00014   0.00038   0.00052   0.00714
   D188       0.00298   0.00000   0.00009  -0.00002   0.00007   0.00305
   D189      -3.13797   0.00000   0.00011   0.00008   0.00019  -3.13778
   D190       0.00028   0.00000   0.00005   0.00000   0.00005   0.00033
   D191       3.14087   0.00000   0.00006  -0.00006   0.00000   3.14087
   D192      -3.13429   0.00001   0.00005   0.00014   0.00019  -3.13410
   D193       0.00629   0.00000   0.00006   0.00008   0.00014   0.00644
   D194       0.00185   0.00000   0.00004   0.00002   0.00006   0.00192
   D195      -3.14068   0.00000   0.00007  -0.00002   0.00005  -3.14063
   D196      -3.13873   0.00000   0.00003   0.00008   0.00011  -3.13862
   D197       0.00192   0.00000   0.00006   0.00004   0.00010   0.00202
   D198      -0.00156   0.00000  -0.00007  -0.00004  -0.00011  -0.00168
   D199       3.13988   0.00000  -0.00008  -0.00005  -0.00013   3.13975
   D200       3.14097   0.00000  -0.00010   0.00000  -0.00010   3.14087
   D201      -0.00077   0.00000  -0.00011  -0.00001  -0.00012  -0.00089
   D202      -0.00086   0.00000   0.00001   0.00004   0.00004  -0.00081
   D203       3.14010   0.00000  -0.00002  -0.00006  -0.00008   3.14002
   D204       3.14088   0.00000   0.00001   0.00005   0.00006   3.14095
   D205      -0.00134   0.00000  -0.00001  -0.00005  -0.00006  -0.00140
   D206       0.57150  -0.00003   0.00319  -0.00453  -0.00134   0.57016
   D207      -2.62058  -0.00009   0.00369  -0.00509  -0.00140  -2.62198
   D208       2.99264   0.00005   0.00196   0.00050   0.00246   2.99511
   D209      -0.19944  -0.00002   0.00247  -0.00007   0.00240  -0.19703
   D210       3.09661   0.00015   0.00181   0.00105   0.00286   3.09947
   D211      -0.09110   0.00008   0.00226   0.00051   0.00277  -0.08834
   D212      -1.15390   0.00004  -0.00072   0.00186   0.00114  -1.15276
   D213       3.02974   0.00001  -0.00043   0.00197   0.00154   3.03128
   D214       1.00537   0.00005  -0.00018   0.00226   0.00208   1.00745
   D215      -2.04288  -0.00005  -0.00538  -0.00276  -0.00814  -2.05102
   D216       1.07394  -0.00003  -0.00493  -0.00075  -0.00568   1.06826
   D217      -0.08451  -0.00004  -0.00597  -0.00301  -0.00898  -0.09349
   D218       3.03231  -0.00002  -0.00551  -0.00101  -0.00652   3.02579
   D219       2.12677  -0.00006  -0.00548  -0.00314  -0.00862   2.11814
   D220      -1.03960  -0.00004  -0.00503  -0.00114  -0.00617  -1.04576
   D221       3.13395   0.00003   0.00049   0.00136   0.00185   3.13580
   D222      -0.01704   0.00002  -0.00188   0.00182  -0.00005  -0.01710
   D223       0.01516   0.00001   0.00007  -0.00049  -0.00042   0.01474
   D224      -3.13583   0.00000  -0.00230  -0.00003  -0.00233  -3.13816
   D225      -3.14081  -0.00003  -0.00103  -0.00089  -0.00192   3.14046
   D226      -0.01924  -0.00001  -0.00068   0.00072   0.00004  -0.01920
   D227      -0.00008   0.00000   0.00085  -0.00014   0.00070   0.00063
   D228      -3.13322   0.00000   0.00298  -0.00056   0.00242  -3.13080
   D229      -0.01538  -0.00001  -0.00137   0.00072  -0.00065  -0.01603
   D230      -3.11758   0.00003  -0.00167   0.00079  -0.00088  -3.11846
   D231       0.02035   0.00001   0.00121  -0.00085   0.00036   0.02071
   D232       3.12416  -0.00003   0.00149  -0.00092   0.00057   3.12474
   D233      -0.96912   0.00002  -0.00343  -0.00867  -0.01210  -0.98122
   D234       1.12470   0.00002  -0.00330  -0.00879  -0.01208   1.11262
   D235      -3.05709  -0.00005  -0.00364  -0.00931  -0.01295  -3.07004
   D236      -3.13684   0.00005  -0.00327  -0.00913  -0.01240   3.13395
   D237      -1.04302   0.00005  -0.00313  -0.00925  -0.01238  -1.05540
   D238       1.05838  -0.00002  -0.00348  -0.00977  -0.01325   1.04513
   D239       1.07894   0.00002  -0.00338  -0.00879  -0.01217   1.06677
   D240      -3.11042   0.00002  -0.00324  -0.00891  -0.01216  -3.12258
   D241      -1.00902  -0.00005  -0.00359  -0.00944  -0.01303  -1.02205
   D242       2.95740   0.00007   0.00260  -0.00193   0.00067   2.95807
   D243      -1.25212  -0.00002   0.00262  -0.00171   0.00092  -1.25121
   D244       0.87728   0.00002   0.00301  -0.00207   0.00093   0.87821
   D245      -1.13535   0.00002   0.00222  -0.00138   0.00084  -1.13452
   D246       0.93831  -0.00007   0.00224  -0.00116   0.00108   0.93939
   D247       3.06771  -0.00004   0.00263  -0.00153   0.00110   3.06881
   D248       0.93374   0.00000   0.00265  -0.00156   0.00108   0.93482
   D249       3.00740  -0.00009   0.00267  -0.00135   0.00133   3.00873
   D250      -1.14638  -0.00005   0.00306  -0.00171   0.00135  -1.14504
   D251       0.00084   0.00000  -0.00016   0.00027   0.00011   0.00095
   D252       3.13255   0.00000   0.00048   0.00052   0.00100   3.13355
         Item               Value     Threshold  Converged?
 Maximum Force            0.000338     0.000450     YES
 RMS     Force            0.000074     0.000300     YES
 Maximum Displacement     0.149339     0.001800     NO 
 RMS     Displacement     0.017080     0.001200     NO 
 Predicted change in Energy=-1.402277D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.791782   -2.012764    0.954001
      2          6           0       -9.317849   -0.954510   -0.046775
      3          6           0      -10.054310    0.375614    0.139562
      4          6           0       -7.839770   -0.752143    0.069604
      5          7           0       -6.944680   -0.970965   -0.863130
      6          6           0       -5.625694   -0.680237   -0.425235
      7          6           0       -4.503946   -0.902773   -1.400512
      8          7           0       -3.914443    0.358148   -1.919228
      9          6           0       -4.800783    1.095061   -2.862576
     10          6           0       -3.091227    1.174944   -1.101836
     11          8           0       -2.908063    2.363235   -1.344912
     12          7           0       -2.430918    0.552990    0.000592
     13          6           0       -1.300041    1.307512    0.587930
     14          6           0       -0.013932    1.066836   -0.230396
     15          8           0        0.220748    0.024007   -0.831294
     16          7           0        0.902966    2.112759   -0.227120
     17          6           0        2.188898    2.022649   -0.972796
     18          6           0        2.468287    3.351870   -1.708579
     19          6           0        2.560981    4.552606   -0.808404
     20          6           0        1.424450    5.342777   -0.572896
     21          6           0        1.506633    6.457893    0.265011
     22          6           0        2.720453    6.794841    0.872045
     23          6           0        3.856200    6.015082    0.631802
     24          6           0        3.780252    4.899102   -0.205793
     25          6           0        3.332251    1.632349   -0.012581
     26          6           0        3.119824    0.230367    0.567956
     27          8           0        2.675207    0.341185    1.937329
     28          6           0        4.408928   -0.630686    0.719442
     29          6           0        5.165714   -0.762691   -0.612069
     30          6           0        6.511091   -1.407502   -0.424368
     31          6           0        6.661445   -2.786829   -0.635146
     32          6           0        7.911599   -3.386744   -0.468561
     33          6           0        9.017381   -2.617118   -0.091205
     34          6           0        8.868262   -1.243344    0.121693
     35          6           0        7.619702   -0.636782   -0.043058
     36          7           0        4.017828   -1.964463    1.275788
     37          6           0        3.209805   -2.799824    0.501375
     38          8           0        3.169333   -2.918776   -0.713630
     39          8           0        2.434404   -3.590256    1.339566
     40          6           0        1.488268   -4.487133    0.673603
     41          6           0        0.447044   -3.707283   -0.023308
     42          6           0       -0.906826   -3.663715    0.172080
     43          7           0       -1.611056   -2.789707   -0.681408
     44          6           0       -0.798218   -2.173240   -1.520838
     45         16           0        0.893400   -2.603585   -1.305315
     46          6           0       -1.119624    0.877424    2.073290
     47          6           0       -0.559868   -0.537478    2.211908
     48          6           0       -0.241107    1.887748    2.817263
     49          6           0       -5.524883   -0.229652    0.860032
     50         16           0       -7.102068   -0.153376    1.581486
     51          1           0      -10.857471   -2.230760    0.816359
     52          1           0       -9.245286   -2.956094    0.827995
     53          1           0       -9.659277   -1.692795    1.994245
     54          1           0       -9.530496   -1.333421   -1.087523
     55          1           0       -9.945644    0.773520    1.155501
     56          1           0       -9.683261    1.140452   -0.554219
     57          1           0      -11.128018    0.256839   -0.047834
     58          1           0       -3.706318   -1.535724   -0.933643
     59          1           0       -4.870075   -1.493748   -2.279120
     60          1           0       -4.874975    0.516960   -3.798198
     61          1           0       -4.369558    2.086318   -3.100254
     62          1           0       -5.815470    1.248335   -2.459633
     63          1           0       -2.283408   -0.466052   -0.029839
     64          1           0       -1.571968    2.404401    0.550683
     65          1           0        0.715544    2.987893    0.258039
     66          1           0        2.077422    1.210220   -1.750212
     67          1           0        1.671791    3.509875   -2.470316
     68          1           0        3.401499    3.244291   -2.300394
     69          1           0        0.477908    5.098500   -1.055046
     70          1           0        0.621832    7.068916    0.441073
     71          1           0        2.782530    7.663741    1.524041
     72          1           0        4.805094    6.279632    1.096839
     73          1           0        4.671679    4.304735   -0.394108
     74          1           0        3.418281    2.364615    0.817921
     75          1           0        4.299252    1.693909   -0.552106
     76          1           0        2.339556   -0.329865   -0.010098
     77          1           0        1.771456    0.754957    1.975802
     78          1           0        5.077032   -0.162076    1.494097
     79          1           0        4.555738   -1.349069   -1.343036
     80          1           0        5.279984    0.241480   -1.073715
     81          1           0        5.796253   -3.386589   -0.922641
     82          1           0        8.024642   -4.457188   -0.632221
     83          1           0        9.989875   -3.086634    0.036936
     84          1           0        9.726835   -0.643100    0.416969
     85          1           0        7.512174    0.431348    0.125854
     86          1           0        3.790575   -1.929875    2.281204
     87          1           0        1.105713   -5.063049    1.541093
     88          1           0        2.058962   -5.147741   -0.010474
     89          1           0       -1.482611   -4.229714    0.896163
     90          1           0       -1.105409   -1.438080   -2.259277
     91          1           0       -2.143244    0.898483    2.535378
     92          1           0       -1.180992   -1.278407    1.690985
     93          1           0        0.454531   -0.639544    1.798479
     94          1           0       -0.509292   -0.845363    3.262907
     95          1           0       -0.262392    1.695660    3.898715
     96          1           0        0.816262    1.832485    2.512275
     97          1           0       -0.579434    2.919758    2.673218
     98          1           0       -4.635681    0.059084    1.397491
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0815349      0.0289275      0.0233461
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.4770217165 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258551166610     A.U. after   16 cycles
             Convg  =    0.5574D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000009706    0.000012501    0.000021243
      2        6           0.000014057   -0.000029077   -0.000030596
      3        6          -0.000019127    0.000000413    0.000025712
      4        6           0.000028389    0.000012145    0.000053205
      5        7          -0.000054785   -0.000030973   -0.000002045
      6        6          -0.000063665   -0.000092171    0.000013351
      7        6          -0.000006633   -0.000045266   -0.000183007
      8        7           0.000074546   -0.000022226    0.000113764
      9        6           0.000041232    0.000024574    0.000039989
     10        6          -0.000071806    0.000000597    0.000196106
     11        8          -0.000051730    0.000024249    0.000014920
     12        7           0.000038717   -0.000149143   -0.000290702
     13        6           0.000019137    0.000034166   -0.000070542
     14        6           0.000007313    0.000124563   -0.000220766
     15        8           0.000021990   -0.000211753    0.000053120
     16        7           0.000001090    0.000112515    0.000029025
     17        6           0.000114369   -0.000088568   -0.000034581
     18        6           0.000003249    0.000042387    0.000024137
     19        6          -0.000004351   -0.000000398    0.000020595
     20        6           0.000004417   -0.000016616   -0.000007891
     21        6           0.000008464    0.000006585   -0.000000554
     22        6           0.000000186   -0.000008387    0.000002989
     23        6          -0.000009350   -0.000013108    0.000002296
     24        6          -0.000003795    0.000010677    0.000000149
     25        6           0.000019459   -0.000184801   -0.000055801
     26        6           0.000041794    0.000007256    0.000022346
     27        8          -0.000072127   -0.000191159   -0.000128342
     28        6           0.000223072    0.000003085    0.000146416
     29        6          -0.000018052    0.000086366    0.000050972
     30        6          -0.000007695    0.000014310   -0.000016642
     31        6           0.000025190   -0.000000845   -0.000038689
     32        6          -0.000021483    0.000008216    0.000008544
     33        6          -0.000001933    0.000013753    0.000001773
     34        6           0.000023526   -0.000006194   -0.000010174
     35        6          -0.000019627   -0.000019890    0.000023679
     36        7          -0.000084402   -0.000041371    0.000022865
     37        6           0.000043127    0.000284261   -0.000365097
     38        8           0.000155525   -0.000188347    0.000227358
     39        8           0.000106130    0.000134740    0.000193859
     40        6          -0.000099996   -0.000166624    0.000063554
     41        6           0.000030323   -0.000041541   -0.000165565
     42        6          -0.000099294    0.000114433   -0.000015977
     43        7          -0.000123527    0.000017568   -0.000137280
     44        6           0.000094479    0.000062361    0.000062339
     45       16          -0.000093082   -0.000029834    0.000229327
     46        6          -0.000019897    0.000089766    0.000053807
     47        6          -0.000063199   -0.000094998    0.000015742
     48        6           0.000090972   -0.000010856   -0.000018730
     49        6           0.000070539    0.000035786    0.000004639
     50       16          -0.000046905    0.000027857   -0.000048802
     51        1          -0.000015317    0.000020190   -0.000008926
     52        1          -0.000006720   -0.000019219    0.000007266
     53        1           0.000021006   -0.000011585   -0.000006673
     54        1           0.000019315   -0.000004476   -0.000028187
     55        1           0.000008641   -0.000001775   -0.000002140
     56        1           0.000002573    0.000005276   -0.000009283
     57        1           0.000018639    0.000001117    0.000009642
     58        1          -0.000048536    0.000010654    0.000071056
     59        1          -0.000040899    0.000109414   -0.000015671
     60        1          -0.000003321    0.000009469   -0.000011366
     61        1           0.000001728   -0.000002058   -0.000035532
     62        1          -0.000018112   -0.000024591    0.000005498
     63        1          -0.000024484    0.000015748    0.000045950
     64        1           0.000015957    0.000026299    0.000096212
     65        1          -0.000014517    0.000023413   -0.000012953
     66        1          -0.000002761    0.000050036    0.000022393
     67        1          -0.000001186   -0.000007214    0.000001658
     68        1          -0.000002370    0.000000226   -0.000000647
     69        1           0.000000951    0.000002261   -0.000000118
     70        1          -0.000002457    0.000000131   -0.000000586
     71        1           0.000003887   -0.000001870   -0.000001533
     72        1           0.000003895    0.000002020   -0.000000276
     73        1           0.000006613   -0.000000452    0.000003269
     74        1          -0.000038548    0.000140164   -0.000007882
     75        1           0.000022101    0.000008393   -0.000038269
     76        1          -0.000043416    0.000105042   -0.000044054
     77        1          -0.000092081   -0.000014216    0.000153038
     78        1           0.000099722   -0.000026711   -0.000001149
     79        1           0.000028244    0.000025507    0.000037452
     80        1          -0.000050754   -0.000047789   -0.000009698
     81        1           0.000017167    0.000003098    0.000013873
     82        1           0.000001795   -0.000001340    0.000000009
     83        1          -0.000002736   -0.000000158    0.000003140
     84        1           0.000001455    0.000001125    0.000000806
     85        1           0.000009027    0.000005211   -0.000000570
     86        1          -0.000129429   -0.000004822   -0.000035410
     87        1          -0.000031462   -0.000021703   -0.000140213
     88        1           0.000017966    0.000054288   -0.000014371
     89        1           0.000018817   -0.000090121    0.000040363
     90        1           0.000021170   -0.000039829   -0.000003365
     91        1           0.000046022    0.000000315    0.000016385
     92        1           0.000016414    0.000064697    0.000005962
     93        1           0.000153849   -0.000061375    0.000009848
     94        1           0.000022796   -0.000042481   -0.000057235
     95        1          -0.000028679   -0.000004283    0.000030391
     96        1          -0.000230700    0.000123373   -0.000008469
     97        1          -0.000006440    0.000013217    0.000027143
     98        1           0.000020050   -0.000013601   -0.000002813
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000365097 RMS     0.000072358

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000710406 RMS     0.000077123
 Search for a local minimum.
 Step number  79 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   69   70   73   72   74
                                                     75   76   77   78   79
 DE= -1.36D-05 DEPred=-1.40D-05 R= 9.71D-01
 SS=  1.41D+00  RLast= 1.38D-01 DXNew= 3.3512D-01 4.1491D-01
 Trust test= 9.71D-01 RLast= 1.38D-01 DXMaxT set to 3.35D-01
     Eigenvalues ---    0.00065   0.00101   0.00195   0.00219   0.00239
     Eigenvalues ---    0.00304   0.00367   0.00419   0.00545   0.00596
     Eigenvalues ---    0.00660   0.00697   0.00749   0.00808   0.00888
     Eigenvalues ---    0.00907   0.00982   0.01062   0.01189   0.01250
     Eigenvalues ---    0.01302   0.01413   0.01417   0.01455   0.01488
     Eigenvalues ---    0.01584   0.01610   0.01705   0.01735   0.01756
     Eigenvalues ---    0.01927   0.02016   0.02108   0.02194   0.02202
     Eigenvalues ---    0.02203   0.02220   0.02256   0.02258   0.02268
     Eigenvalues ---    0.02290   0.02330   0.02373   0.02404   0.02409
     Eigenvalues ---    0.02415   0.02447   0.02482   0.02485   0.02522
     Eigenvalues ---    0.02527   0.02528   0.02559   0.02693   0.02712
     Eigenvalues ---    0.02938   0.02964   0.03379   0.03877   0.04011
     Eigenvalues ---    0.04070   0.04163   0.04195   0.04326   0.04505
     Eigenvalues ---    0.04595   0.04735   0.04940   0.04966   0.05086
     Eigenvalues ---    0.05167   0.05192   0.05254   0.05376   0.05404
     Eigenvalues ---    0.05452   0.05510   0.05526   0.05575   0.05635
     Eigenvalues ---    0.05720   0.05732   0.05825   0.05851   0.05910
     Eigenvalues ---    0.05982   0.06046   0.06141   0.06225   0.06411
     Eigenvalues ---    0.06522   0.06812   0.06913   0.07089   0.07174
     Eigenvalues ---    0.07534   0.08371   0.08429   0.08648   0.08791
     Eigenvalues ---    0.09376   0.09604   0.09882   0.10335   0.11623
     Eigenvalues ---    0.12090   0.12903   0.13129   0.13384   0.13431
     Eigenvalues ---    0.13832   0.14079   0.14582   0.15525   0.15625
     Eigenvalues ---    0.15716   0.15863   0.15968   0.15976   0.15981
     Eigenvalues ---    0.15985   0.15994   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16003   0.16004   0.16009   0.16018   0.16023
     Eigenvalues ---    0.16049   0.16073   0.16082   0.16112   0.16180
     Eigenvalues ---    0.16248   0.16553   0.16859   0.16925   0.17268
     Eigenvalues ---    0.17907   0.18022   0.18315   0.18729   0.19185
     Eigenvalues ---    0.19926   0.20483   0.20833   0.21046   0.21779
     Eigenvalues ---    0.21852   0.22000   0.22000   0.22003   0.22032
     Eigenvalues ---    0.22206   0.22431   0.22725   0.23166   0.23448
     Eigenvalues ---    0.23493   0.23642   0.23724   0.24134   0.24375
     Eigenvalues ---    0.24572   0.24643   0.24862   0.25011   0.25101
     Eigenvalues ---    0.25249   0.25443   0.25884   0.26870   0.27563
     Eigenvalues ---    0.28691   0.29434   0.29764   0.29907   0.29954
     Eigenvalues ---    0.30021   0.30181   0.30318   0.30441   0.30666
     Eigenvalues ---    0.30836   0.30926   0.31334   0.31427   0.31446
     Eigenvalues ---    0.31502   0.31529   0.31654   0.31727   0.31904
     Eigenvalues ---    0.31983   0.32119   0.32311   0.32396   0.32518
     Eigenvalues ---    0.32603   0.32674   0.32768   0.32841   0.32939
     Eigenvalues ---    0.32994   0.33046   0.33064   0.33136   0.33191
     Eigenvalues ---    0.33233   0.33342   0.33542   0.33672   0.33732
     Eigenvalues ---    0.33772   0.33877   0.33961   0.33987   0.34083
     Eigenvalues ---    0.34219   0.34227   0.34295   0.34323   0.34375
     Eigenvalues ---    0.34506   0.34675   0.34736   0.34813   0.35440
     Eigenvalues ---    0.36235   0.36311   0.36356   0.36389   0.36487
     Eigenvalues ---    0.36646   0.36855   0.36933   0.37042   0.37630
     Eigenvalues ---    0.38382   0.38682   0.39245   0.40134   0.40922
     Eigenvalues ---    0.41431   0.41815   0.42492   0.42890   0.43136
     Eigenvalues ---    0.43384   0.43801   0.44492   0.45199   0.45900
     Eigenvalues ---    0.46146   0.47544   0.47761   0.48376   0.48458
     Eigenvalues ---    0.48637   0.48954   0.49307   0.49814   0.50368
     Eigenvalues ---    0.50999   0.51186   0.51364   0.51669   0.56441
     Eigenvalues ---    0.58209   0.58988   0.61255   0.62725   0.64385
     Eigenvalues ---    0.65632   0.68461   0.77877   0.79784   0.86158
     Eigenvalues ---    1.48950   1.92819   4.167671000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    79   78   77   76   75
 RFO step:  Lambda=-4.19119907D-06.
 DIIS coeffs:      0.88867      0.56686     -0.27949     -0.24271      0.06667
 Iteration  1 RMS(Cart)=  0.01416067 RMS(Int)=  0.00005828
 Iteration  2 RMS(Cart)=  0.00014070 RMS(Int)=  0.00000038
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000038
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89447   0.00001   0.00001   0.00006   0.00007   2.89454
    R2        2.07195   0.00000  -0.00001  -0.00002  -0.00003   2.07193
    R3        2.07389   0.00000   0.00001   0.00000   0.00001   2.07390
    R4        2.07185   0.00001  -0.00001   0.00001   0.00000   2.07185
    R5        2.89463   0.00000  -0.00002  -0.00005  -0.00006   2.89457
    R6        2.82779   0.00001   0.00001   0.00004   0.00005   2.82784
    R7        2.13125   0.00001  -0.00001   0.00002   0.00001   2.13125
    R8        2.07205   0.00000   0.00000   0.00000   0.00000   2.07205
    R9        2.07353   0.00001   0.00000  -0.00001  -0.00001   2.07352
   R10        2.07188   0.00002   0.00000   0.00004   0.00004   2.07191
   R11        2.47768   0.00003   0.00003  -0.00001   0.00002   2.47770
   R12        3.37437  -0.00004  -0.00005  -0.00006  -0.00011   3.37426
   R13        2.68315  -0.00001   0.00002   0.00008   0.00010   2.68324
   R14        2.84026   0.00000   0.00015  -0.00016   0.00000   2.84025
   R15        2.58077  -0.00001   0.00005  -0.00010  -0.00005   2.58073
   R16        2.80706  -0.00013   0.00012  -0.00026  -0.00014   2.80692
   R17        2.11683   0.00008  -0.00005   0.00023   0.00017   2.11701
   R18        2.11721   0.00011  -0.00004   0.00021   0.00017   2.11738
   R19        2.81470   0.00002  -0.00002   0.00005   0.00002   2.81473
   R20        2.68113  -0.00003   0.00018  -0.00001   0.00017   2.68130
   R21        2.08307   0.00001   0.00000   0.00004   0.00004   2.08311
   R22        2.09157   0.00003   0.00000   0.00006   0.00006   2.09164
   R23        2.08337  -0.00002  -0.00002  -0.00007  -0.00009   2.08328
   R24        2.31803  -0.00003  -0.00005   0.00005   0.00001   2.31804
   R25        2.69787  -0.00023   0.00002  -0.00040  -0.00037   2.69749
   R26        2.79855  -0.00018   0.00012  -0.00028  -0.00016   2.79839
   R27        1.94663   0.00005   0.00003  -0.00003   0.00000   1.94663
   R28        2.91634  -0.00008   0.00000   0.00003   0.00003   2.91637
   R29        2.94204   0.00004   0.00001   0.00018   0.00019   2.94223
   R30        2.13673  -0.00006  -0.00007  -0.00005  -0.00012   2.13660
   R31        2.31724  -0.00019   0.00017  -0.00003   0.00014   2.31739
   R32        2.62846  -0.00015   0.00003  -0.00028  -0.00024   2.62822
   R33        2.81421  -0.00013   0.00009  -0.00010  -0.00001   2.81421
   R34        1.92378  -0.00003   0.00001  -0.00009  -0.00009   1.92369
   R35        2.91916  -0.00005  -0.00013   0.00015   0.00002   2.91918
   R36        2.91631   0.00008   0.00004   0.00003   0.00007   2.91637
   R37        2.13534   0.00004   0.00002  -0.00003  -0.00001   2.13534
   R38        2.84131   0.00002  -0.00002   0.00000  -0.00002   2.84129
   R39        2.10398  -0.00001  -0.00002   0.00003   0.00000   2.10398
   R40        2.09811   0.00000   0.00003  -0.00001   0.00002   2.09813
   R41        2.65339   0.00001   0.00000   0.00001   0.00002   2.65341
   R42        2.65223   0.00000  -0.00001   0.00000   0.00000   2.65223
   R43        2.64043   0.00000  -0.00001  -0.00001  -0.00001   2.64042
   R44        2.05978   0.00000  -0.00001   0.00000  -0.00001   2.05977
   R45        2.64250   0.00001   0.00003  -0.00001   0.00002   2.64252
   R46        2.05904   0.00000  -0.00001   0.00000  -0.00001   2.05903
   R47        2.64269   0.00001  -0.00001   0.00000  -0.00001   2.64268
   R48        2.05619   0.00000   0.00000   0.00000   0.00000   2.05619
   R49        2.64072   0.00002   0.00001   0.00001   0.00002   2.64073
   R50        2.05854   0.00000   0.00000   0.00000   0.00000   2.05854
   R51        2.05570  -0.00001   0.00001  -0.00001  -0.00001   2.05570
   R52        2.89548   0.00015  -0.00018   0.00024   0.00006   2.89554
   R53        2.09866  -0.00014   0.00016  -0.00015   0.00001   2.09866
   R54        2.09578   0.00000  -0.00009   0.00011   0.00002   2.09580
   R55        2.72877   0.00004   0.00007   0.00004   0.00011   2.72888
   R56        2.94346  -0.00006  -0.00005   0.00003  -0.00002   2.94343
   R57        2.11854   0.00008   0.00002   0.00012   0.00014   2.11868
   R58        1.87974  -0.00011   0.00010  -0.00020  -0.00010   1.87963
   R59        2.90494  -0.00001   0.00000   0.00019   0.00019   2.90513
   R60        2.82919  -0.00001   0.00001  -0.00020  -0.00019   2.82901
   R61        2.12630  -0.00001  -0.00005  -0.00016  -0.00020   2.12609
   R62        2.84154  -0.00003  -0.00001  -0.00005  -0.00006   2.84148
   R63        2.11297   0.00002  -0.00003  -0.00003  -0.00006   2.11291
   R64        2.09967   0.00003  -0.00004   0.00008   0.00004   2.09971
   R65        2.65207  -0.00002   0.00001  -0.00003  -0.00002   2.65205
   R66        2.65130   0.00000   0.00006  -0.00001   0.00005   2.65135
   R67        2.63922   0.00001   0.00003   0.00001   0.00004   2.63926
   R68        2.06225   0.00001  -0.00005   0.00002  -0.00003   2.06222
   R69        2.64391   0.00000  -0.00002  -0.00002  -0.00004   2.64387
   R70        2.05747   0.00000  -0.00001   0.00001   0.00000   2.05747
   R71        2.64212   0.00002   0.00003   0.00002   0.00005   2.64216
   R72        2.05504   0.00000   0.00000   0.00000   0.00000   2.05503
   R73        2.64154  -0.00001  -0.00002  -0.00003  -0.00005   2.64149
   R74        2.05679   0.00000   0.00001   0.00000   0.00000   2.05679
   R75        2.05363   0.00000   0.00001   0.00000   0.00001   2.05365
   R76        2.63916   0.00010  -0.00001  -0.00028  -0.00029   2.63887
   R77        1.94899  -0.00007  -0.00014  -0.00062  -0.00076   1.94823
   R78        2.30827  -0.00032   0.00003  -0.00001   0.00002   2.30830
   R79        2.62433   0.00003  -0.00026   0.00000  -0.00025   2.62408
   R80        2.76641  -0.00022   0.00006   0.00002   0.00008   2.76649
   R81        2.78887  -0.00012  -0.00007   0.00005  -0.00002   2.78884
   R82        2.09629  -0.00014  -0.00002  -0.00006  -0.00008   2.09621
   R83        2.09585   0.00002  -0.00004   0.00001  -0.00003   2.09582
   R84        2.58626  -0.00010   0.00016  -0.00003   0.00013   2.58639
   R85        3.30617  -0.00019  -0.00023  -0.00014  -0.00037   3.30580
   R86        2.66463   0.00003  -0.00012  -0.00003  -0.00015   2.66448
   R87        2.04944   0.00002  -0.00004   0.00001  -0.00004   2.04941
   R88        2.49657  -0.00011   0.00011  -0.00009   0.00002   2.49659
   R89        3.32357   0.00003  -0.00011   0.00012   0.00000   3.32357
   R90        2.05287   0.00001  -0.00004  -0.00003  -0.00007   2.05280
   R91        2.88732  -0.00017  -0.00002  -0.00018  -0.00020   2.88712
   R92        2.89446  -0.00008  -0.00023   0.00012  -0.00011   2.89435
   R93        2.12270   0.00005   0.00004  -0.00003   0.00000   2.12270
   R94        2.07537   0.00007  -0.00001  -0.00004  -0.00005   2.07533
   R95        2.07900  -0.00015   0.00023  -0.00026  -0.00003   2.07897
   R96        2.07177  -0.00004   0.00006  -0.00009  -0.00003   2.07174
   R97        2.07602   0.00003  -0.00003   0.00006   0.00003   2.07606
   R98        2.08222   0.00020  -0.00027   0.00042   0.00015   2.08237
   R99        2.07031  -0.00003   0.00002  -0.00003  -0.00002   2.07030
   R100       3.28064  -0.00003   0.00002   0.00002   0.00004   3.28067
   R101       2.03785   0.00000   0.00006   0.00001   0.00007   2.03792
    A1        1.93487   0.00000   0.00001   0.00000   0.00001   1.93489
    A2        1.94419   0.00001  -0.00002   0.00003   0.00001   1.94420
    A3        1.96156  -0.00001  -0.00006  -0.00010  -0.00016   1.96140
    A4        1.87412   0.00000   0.00000  -0.00001  -0.00002   1.87410
    A5        1.86984   0.00001   0.00009   0.00008   0.00017   1.87001
    A6        1.87508   0.00000  -0.00001   0.00000  -0.00001   1.87507
    A7        1.95164  -0.00002   0.00006  -0.00006   0.00000   1.95164
    A8        1.92650  -0.00003  -0.00015  -0.00029  -0.00044   1.92606
    A9        1.88860   0.00002   0.00006   0.00001   0.00007   1.88867
   A10        1.92624   0.00005   0.00000   0.00040   0.00040   1.92665
   A11        1.88951  -0.00001   0.00000  -0.00006  -0.00006   1.88946
   A12        1.87910  -0.00001   0.00004  -0.00001   0.00002   1.87913
   A13        1.96079   0.00001   0.00004   0.00009   0.00013   1.96092
   A14        1.94527   0.00000  -0.00003   0.00004   0.00002   1.94528
   A15        1.93476   0.00000  -0.00001  -0.00004  -0.00005   1.93471
   A16        1.87483   0.00000   0.00000   0.00004   0.00004   1.87487
   A17        1.86997  -0.00001   0.00000  -0.00013  -0.00013   1.86984
   A18        1.87403   0.00000   0.00000  -0.00001  -0.00001   1.87401
   A19        2.20984   0.00002  -0.00007   0.00002  -0.00005   2.20979
   A20        2.11679   0.00002   0.00002   0.00003   0.00005   2.11684
   A21        1.95655  -0.00004   0.00005  -0.00005   0.00000   1.95655
   A22        1.96125   0.00004  -0.00004   0.00007   0.00003   1.96128
   A23        2.05204  -0.00008  -0.00018  -0.00043  -0.00061   2.05142
   A24        2.01128  -0.00003   0.00000  -0.00008  -0.00008   2.01120
   A25        2.21985   0.00012   0.00017   0.00052   0.00069   2.22055
   A26        1.97915  -0.00012   0.00056  -0.00007   0.00050   1.97965
   A27        1.92266   0.00002  -0.00018  -0.00033  -0.00052   1.92215
   A28        1.92097   0.00004  -0.00004   0.00023   0.00019   1.92116
   A29        1.92048   0.00005   0.00005   0.00042   0.00047   1.92095
   A30        1.87926   0.00005  -0.00026   0.00007  -0.00018   1.87908
   A31        1.83536  -0.00003  -0.00020  -0.00033  -0.00052   1.83483
   A32        1.98775  -0.00003  -0.00026  -0.00005  -0.00031   1.98744
   A33        2.11504   0.00001  -0.00001   0.00030   0.00029   2.11533
   A34        2.01012   0.00003  -0.00027   0.00010  -0.00017   2.00995
   A35        1.89458   0.00001  -0.00005   0.00006   0.00001   1.89458
   A36        1.92543   0.00003  -0.00013   0.00017   0.00005   1.92548
   A37        1.96599  -0.00003   0.00016  -0.00015   0.00002   1.96601
   A38        1.88982  -0.00002  -0.00003  -0.00013  -0.00015   1.88967
   A39        1.89778   0.00001   0.00005   0.00016   0.00021   1.89799
   A40        1.88868  -0.00001  -0.00001  -0.00012  -0.00013   1.88855
   A41        2.12960   0.00002  -0.00010  -0.00007  -0.00017   2.12943
   A42        2.05154  -0.00001   0.00013   0.00004   0.00018   2.05172
   A43        2.10132  -0.00001  -0.00002   0.00002  -0.00001   2.10131
   A44        2.02359   0.00006   0.00011   0.00028   0.00039   2.02398
   A45        2.06506  -0.00002   0.00025   0.00011   0.00035   2.06542
   A46        1.98929  -0.00006   0.00013   0.00006   0.00018   1.98947
   A47        1.92477  -0.00002   0.00015  -0.00024  -0.00009   1.92468
   A48        1.90300   0.00002   0.00005   0.00028   0.00033   1.90333
   A49        1.87291   0.00002  -0.00003  -0.00002  -0.00004   1.87287
   A50        1.94577  -0.00001  -0.00024   0.00000  -0.00023   1.94554
   A51        1.91160  -0.00002   0.00002   0.00024   0.00026   1.91185
   A52        1.90423   0.00000   0.00006  -0.00028  -0.00022   1.90401
   A53        2.15552   0.00012  -0.00033  -0.00003  -0.00036   2.15515
   A54        2.01622  -0.00014   0.00026   0.00006   0.00032   2.01654
   A55        2.11121   0.00001   0.00009  -0.00003   0.00005   2.11126
   A56        2.12062   0.00002  -0.00003  -0.00017  -0.00020   2.12042
   A57        2.12490   0.00000  -0.00002   0.00009   0.00007   2.12497
   A58        2.03713  -0.00002   0.00008   0.00012   0.00020   2.03734
   A59        1.92049  -0.00003  -0.00014  -0.00013  -0.00027   1.92022
   A60        1.92143   0.00012   0.00007   0.00066   0.00073   1.92216
   A61        1.87843  -0.00004   0.00015  -0.00041  -0.00026   1.87817
   A62        1.96058  -0.00010  -0.00012  -0.00009  -0.00022   1.96036
   A63        1.88473   0.00005  -0.00011   0.00012   0.00001   1.88475
   A64        1.89582   0.00001   0.00016  -0.00018  -0.00002   1.89580
   A65        1.99671  -0.00003  -0.00002   0.00010   0.00008   1.99680
   A66        1.89505   0.00002   0.00005   0.00000   0.00005   1.89511
   A67        1.89920   0.00000  -0.00006  -0.00007  -0.00013   1.89907
   A68        1.91812   0.00000  -0.00004   0.00001  -0.00003   1.91809
   A69        1.92270   0.00001   0.00005  -0.00002   0.00003   1.92273
   A70        1.82385   0.00000   0.00003  -0.00004  -0.00002   1.82384
   A71        2.09431   0.00001   0.00000   0.00002   0.00001   2.09433
   A72        2.10339   0.00000  -0.00001   0.00001   0.00000   2.10339
   A73        2.08545  -0.00001   0.00001  -0.00002  -0.00001   2.08543
   A74        2.09681   0.00001   0.00000   0.00001   0.00001   2.09682
   A75        2.09739   0.00000  -0.00002   0.00001  -0.00001   2.09738
   A76        2.08886   0.00000   0.00002  -0.00002   0.00000   2.08886
   A77        2.09866   0.00000  -0.00001   0.00001   0.00001   2.09866
   A78        2.09057   0.00000   0.00002  -0.00001   0.00001   2.09058
   A79        2.09395   0.00000  -0.00001   0.00000  -0.00002   2.09393
   A80        2.08983   0.00000   0.00000  -0.00001  -0.00001   2.08982
   A81        2.09678   0.00000  -0.00001   0.00001  -0.00001   2.09678
   A82        2.09656   0.00001   0.00001   0.00000   0.00001   2.09657
   A83        2.09917   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09289   0.00000   0.00000   0.00000   0.00001   2.09289
   A85        2.09113   0.00000   0.00000   0.00000  -0.00001   2.09112
   A86        2.09639   0.00000   0.00000   0.00001   0.00001   2.09640
   A87        2.09748   0.00000   0.00002  -0.00002   0.00001   2.09749
   A88        2.08928   0.00000  -0.00002   0.00000  -0.00001   2.08927
   A89        1.94383   0.00024  -0.00005   0.00027   0.00021   1.94404
   A90        1.93471  -0.00003  -0.00003   0.00005   0.00001   1.93472
   A91        1.90632  -0.00013   0.00008  -0.00036  -0.00028   1.90604
   A92        1.90786  -0.00011  -0.00006  -0.00014  -0.00020   1.90766
   A93        1.93477  -0.00003  -0.00010   0.00008  -0.00002   1.93475
   A94        1.83346   0.00005   0.00018   0.00009   0.00027   1.83373
   A95        1.90898   0.00003  -0.00010  -0.00061  -0.00071   1.90827
   A96        2.01299   0.00008  -0.00011   0.00022   0.00010   2.01309
   A97        1.93733  -0.00003  -0.00029   0.00011  -0.00018   1.93714
   A98        1.77728  -0.00021   0.00047  -0.00031   0.00015   1.77744
   A99        1.88917   0.00014  -0.00019   0.00077   0.00059   1.88976
   A100       1.92828  -0.00002   0.00027  -0.00017   0.00010   1.92838
   A101       1.92661   0.00024  -0.00006   0.00028   0.00022   1.92682
   A102       1.95053   0.00001   0.00004   0.00011   0.00015   1.95068
   A103       1.88854   0.00030  -0.00003   0.00055   0.00051   1.88906
   A104       1.90514  -0.00015  -0.00004  -0.00047  -0.00050   1.90463
   A105       1.95409  -0.00031  -0.00019  -0.00093  -0.00111   1.95298
   A106       1.91748   0.00012  -0.00006   0.00034   0.00029   1.91777
   A107       1.84450   0.00002   0.00029   0.00040   0.00069   1.84519
   A108       1.94892   0.00004   0.00005   0.00032   0.00037   1.94929
   A109       1.92061  -0.00004  -0.00022  -0.00038  -0.00060   1.92001
   A110       1.91018   0.00001  -0.00012  -0.00018  -0.00030   1.90988
   A111       1.92284  -0.00002   0.00017   0.00006   0.00023   1.92307
   A112       1.92560  -0.00002   0.00006  -0.00024  -0.00018   1.92541
   A113       1.83221   0.00003   0.00005   0.00042   0.00047   1.83268
   A114       2.09274  -0.00006   0.00009  -0.00003   0.00006   2.09281
   A115       2.10057   0.00004  -0.00005   0.00001  -0.00004   2.10053
   A116       2.08986   0.00002  -0.00004   0.00003  -0.00002   2.08985
   A117       2.09458   0.00000   0.00001  -0.00001   0.00000   2.09458
   A118       2.08838  -0.00001   0.00006   0.00000   0.00006   2.08844
   A119       2.10020   0.00001  -0.00007   0.00001  -0.00006   2.10015
   A120       2.09827  -0.00001   0.00001   0.00000   0.00001   2.09828
   A121       2.09131   0.00001  -0.00002  -0.00001  -0.00003   2.09128
   A122       2.09360   0.00001   0.00000   0.00002   0.00002   2.09362
   A123       2.09125   0.00000  -0.00001   0.00000  -0.00001   2.09124
   A124       2.09563   0.00000   0.00002   0.00001   0.00003   2.09566
   A125       2.09631   0.00000  -0.00001  -0.00001  -0.00002   2.09628
   A126       2.09865   0.00000  -0.00001   0.00001   0.00000   2.09865
   A127       2.09330   0.00000  -0.00002   0.00000  -0.00003   2.09327
   A128       2.09123   0.00000   0.00003   0.00000   0.00002   2.09126
   A129       2.09375  -0.00001   0.00003  -0.00002   0.00001   2.09377
   A130       2.09901   0.00000  -0.00006   0.00000  -0.00006   2.09894
   A131       2.09042   0.00002   0.00003   0.00002   0.00005   2.09048
   A132       2.06913  -0.00009  -0.00025   0.00036   0.00011   2.06923
   A133       1.97136   0.00003   0.00025   0.00120   0.00144   1.97280
   A134       2.01876   0.00013  -0.00004   0.00131   0.00127   2.02003
   A135       2.25104  -0.00011  -0.00005  -0.00043  -0.00048   2.25056
   A136       1.90584   0.00030  -0.00014   0.00029   0.00015   1.90599
   A137       2.12520  -0.00020   0.00021   0.00015   0.00036   2.12555
   A138       2.02083  -0.00071   0.00053  -0.00040   0.00012   2.02095
   A139       1.92524  -0.00010   0.00029   0.00022   0.00052   1.92576
   A140       1.75708   0.00005  -0.00023  -0.00013  -0.00037   1.75671
   A141       1.88909   0.00006  -0.00012  -0.00001  -0.00013   1.88896
   A142       1.98266   0.00016  -0.00003  -0.00004  -0.00007   1.98259
   A143       1.96765  -0.00015   0.00001  -0.00006  -0.00005   1.96761
   A144       1.92896   0.00000   0.00006   0.00002   0.00008   1.92904
   A145       2.27489   0.00018  -0.00030  -0.00012  -0.00043   2.27447
   A146       2.09368  -0.00025   0.00031   0.00008   0.00038   2.09407
   A147       1.91443   0.00008   0.00001   0.00005   0.00006   1.91449
   A148       2.01239  -0.00006  -0.00001  -0.00003  -0.00004   2.01235
   A149       2.21919   0.00002  -0.00007  -0.00001  -0.00009   2.21910
   A150       2.05156   0.00005   0.00008   0.00005   0.00013   2.05169
   A151       1.94608   0.00003  -0.00005   0.00004  -0.00001   1.94607
   A152       1.98202  -0.00003   0.00001  -0.00005  -0.00003   1.98199
   A153       2.18182   0.00001  -0.00002  -0.00009  -0.00011   2.18171
   A154       2.11867   0.00002   0.00004   0.00009   0.00013   2.11880
   A155       1.56956  -0.00001   0.00003  -0.00001   0.00002   1.56958
   A156       1.96582   0.00016  -0.00020   0.00030   0.00010   1.96593
   A157       1.92587  -0.00001  -0.00010  -0.00028  -0.00038   1.92549
   A158       1.85636  -0.00004   0.00005   0.00009   0.00014   1.85650
   A159       1.93546  -0.00021   0.00020  -0.00027  -0.00007   1.93539
   A160       1.89008  -0.00001   0.00003  -0.00003   0.00001   1.89009
   A161       1.88651   0.00013   0.00002   0.00021   0.00023   1.88674
   A162       1.95468   0.00005  -0.00010   0.00001  -0.00009   1.95459
   A163       1.97101  -0.00010  -0.00004  -0.00002  -0.00005   1.97096
   A164       1.94329  -0.00007   0.00019  -0.00006   0.00013   1.94342
   A165       1.85526   0.00005   0.00007  -0.00021  -0.00014   1.85512
   A166       1.86642   0.00003  -0.00019   0.00056   0.00037   1.86679
   A167       1.86676   0.00006   0.00006  -0.00027  -0.00021   1.86655
   A168       1.93018   0.00003   0.00003   0.00005   0.00009   1.93027
   A169       1.96370  -0.00023   0.00012  -0.00042  -0.00029   1.96341
   A170       1.96099   0.00006  -0.00007   0.00017   0.00011   1.96109
   A171       1.85699   0.00005  -0.00017   0.00004  -0.00013   1.85686
   A172       1.86310   0.00000  -0.00004   0.00008   0.00004   1.86313
   A173       1.88304   0.00011   0.00011   0.00009   0.00019   1.88324
   A174       1.91616   0.00001  -0.00001   0.00005   0.00004   1.91620
   A175       2.23731   0.00001   0.00005   0.00016   0.00021   2.23752
   A176       2.12967  -0.00002  -0.00003  -0.00021  -0.00024   2.12943
   A177       1.57953   0.00003   0.00000   0.00001   0.00001   1.57954
    D1        1.07624   0.00000   0.00110   0.00211   0.00321   1.07945
    D2       -3.05540   0.00003   0.00103   0.00238   0.00340  -3.05199
    D3       -1.00324   0.00001   0.00102   0.00220   0.00323  -1.00002
    D4       -3.12108   0.00000   0.00109   0.00211   0.00320  -3.11789
    D5       -0.96954   0.00003   0.00101   0.00238   0.00340  -0.96614
    D6        1.08261   0.00001   0.00101   0.00221   0.00322   1.08583
    D7       -1.01579   0.00000   0.00102   0.00207   0.00308  -1.01270
    D8        1.13576   0.00003   0.00095   0.00234   0.00328   1.13904
    D9       -3.09528   0.00001   0.00094   0.00217   0.00311  -3.09217
   D10        0.99808  -0.00001   0.00100   0.00029   0.00129   0.99937
   D11        3.10328   0.00000   0.00100   0.00044   0.00144   3.10472
   D12       -1.09353   0.00000   0.00098   0.00043   0.00140  -1.09213
   D13       -1.15361   0.00001   0.00115   0.00042   0.00157  -1.15205
   D14        0.95159   0.00002   0.00116   0.00056   0.00172   0.95331
   D15        3.03797   0.00001   0.00113   0.00055   0.00168   3.03965
   D16        3.07702   0.00000   0.00111   0.00024   0.00135   3.07837
   D17       -1.10096   0.00000   0.00112   0.00038   0.00150  -1.09946
   D18        0.98542   0.00000   0.00109   0.00037   0.00146   0.98688
   D19        2.05918  -0.00001  -0.00275  -0.00394  -0.00669   2.05249
   D20       -1.08431   0.00000  -0.00253  -0.00350  -0.00603  -1.09034
   D21       -2.05777  -0.00002  -0.00278  -0.00393  -0.00671  -2.06448
   D22        1.08193  -0.00001  -0.00257  -0.00349  -0.00605   1.07587
   D23        0.00118  -0.00001  -0.00276  -0.00378  -0.00654  -0.00536
   D24        3.14088  -0.00001  -0.00255  -0.00334  -0.00588   3.13500
   D25       -3.13907   0.00001   0.00009   0.00061   0.00071  -3.13836
   D26        0.00428   0.00000  -0.00011   0.00021   0.00010   0.00437
   D27        3.14014   0.00000  -0.00017  -0.00045  -0.00062   3.13952
   D28       -0.00309   0.00000   0.00002  -0.00007  -0.00005  -0.00314
   D29        3.13182   0.00000  -0.00032  -0.00007  -0.00039   3.13143
   D30       -0.00369  -0.00001   0.00018  -0.00029  -0.00011  -0.00380
   D31        1.88440   0.00001   0.00693   0.01063   0.01756   1.90196
   D32       -2.23780   0.00000   0.00727   0.01087   0.01814  -2.21966
   D33       -0.22180   0.00000   0.00691   0.01041   0.01732  -0.20448
   D34       -1.26410   0.00002   0.00636   0.01087   0.01724  -1.24686
   D35        0.89688   0.00001   0.00671   0.01112   0.01782   0.91470
   D36        2.91288   0.00001   0.00634   0.01066   0.01700   2.92988
   D37        0.00124   0.00001  -0.00016   0.00023   0.00006   0.00130
   D38       -3.13066   0.00001  -0.00060  -0.00011  -0.00071  -3.13137
   D39       -3.13359   0.00000   0.00039  -0.00001   0.00038  -3.13320
   D40        0.01770   0.00000  -0.00004  -0.00035  -0.00040   0.01731
   D41       -1.24670   0.00001   0.00083   0.00217   0.00300  -1.24370
   D42        1.27133   0.00003  -0.00016   0.00276   0.00260   1.27393
   D43        2.87431   0.00002   0.00062   0.00234   0.00296   2.87727
   D44       -0.89084   0.00004  -0.00037   0.00293   0.00256  -0.88829
   D45        0.88291   0.00001   0.00096   0.00247   0.00344   0.88634
   D46       -2.88225   0.00003  -0.00002   0.00306   0.00304  -2.87921
   D47       -1.21205   0.00002  -0.00100   0.00029  -0.00072  -1.21277
   D48        3.00304   0.00002  -0.00086   0.00030  -0.00056   3.00248
   D49        0.89053   0.00002  -0.00087   0.00044  -0.00044   0.89009
   D50        2.51428   0.00000  -0.00018  -0.00034  -0.00052   2.51376
   D51        0.44618   0.00000  -0.00004  -0.00032  -0.00036   0.44582
   D52       -1.66633   0.00001  -0.00004  -0.00019  -0.00024  -1.66656
   D53       -2.77147  -0.00005   0.00112  -0.00113  -0.00001  -2.77147
   D54        0.41112   0.00000   0.00081  -0.00094  -0.00013   0.41099
   D55       -0.26084  -0.00004   0.00013  -0.00059  -0.00045  -0.26129
   D56        2.92175   0.00000  -0.00018  -0.00039  -0.00057   2.92117
   D57        2.84534  -0.00007  -0.00065  -0.00006  -0.00070   2.84464
   D58        0.38698  -0.00003  -0.00139  -0.00073  -0.00211   0.38486
   D59       -0.25596  -0.00002  -0.00095   0.00014  -0.00082  -0.25678
   D60       -2.71432   0.00002  -0.00170  -0.00053  -0.00223  -2.71655
   D61       -1.44274   0.00004   0.00006   0.00398   0.00404  -1.43870
   D62        2.69859   0.00005   0.00022   0.00394   0.00416   2.70276
   D63        0.63832   0.00003   0.00015   0.00412   0.00427   0.64259
   D64        1.04502   0.00002   0.00081   0.00463   0.00545   1.05047
   D65       -1.09683   0.00003   0.00098   0.00459   0.00558  -1.09126
   D66        3.12608   0.00000   0.00090   0.00478   0.00568   3.13176
   D67       -0.53514  -0.00007  -0.00153  -0.00359  -0.00512  -0.54027
   D68        2.62998  -0.00004  -0.00231  -0.00322  -0.00553   2.62446
   D69        1.58144  -0.00006  -0.00153  -0.00339  -0.00492   1.57652
   D70       -1.53661  -0.00003  -0.00230  -0.00302  -0.00532  -1.54194
   D71       -2.59253  -0.00008  -0.00160  -0.00357  -0.00517  -2.59771
   D72        0.57260  -0.00004  -0.00237  -0.00320  -0.00558   0.56702
   D73        1.24220  -0.00003  -0.00131  -0.00199  -0.00330   1.23889
   D74       -2.86769  -0.00020  -0.00127  -0.00234  -0.00361  -2.87130
   D75       -0.82566  -0.00007  -0.00128  -0.00218  -0.00346  -0.82912
   D76       -0.88701  -0.00002  -0.00138  -0.00188  -0.00327  -0.89028
   D77        1.28628  -0.00019  -0.00134  -0.00223  -0.00358   1.28271
   D78       -2.95487  -0.00006  -0.00134  -0.00208  -0.00342  -2.95829
   D79       -3.00052   0.00001  -0.00129  -0.00200  -0.00329  -3.00381
   D80       -0.82723  -0.00016  -0.00125  -0.00235  -0.00360  -0.83083
   D81        1.21481  -0.00003  -0.00125  -0.00220  -0.00344   1.21136
   D82        3.14159  -0.00002  -0.00031   0.00038   0.00007  -3.14152
   D83       -0.03633  -0.00005   0.00120   0.00176   0.00296  -0.03337
   D84        0.02289   0.00001  -0.00106   0.00074  -0.00031   0.02257
   D85        3.12816  -0.00002   0.00046   0.00211   0.00257   3.13073
   D86        2.39165  -0.00002   0.00247   0.00260   0.00507   2.39672
   D87       -1.72146  -0.00009   0.00227   0.00284   0.00511  -1.71634
   D88        0.34200  -0.00004   0.00259   0.00276   0.00535   0.34735
   D89       -0.71536   0.00001   0.00104   0.00129   0.00232  -0.71304
   D90        1.45472  -0.00006   0.00083   0.00154   0.00237   1.45709
   D91       -2.76501  -0.00001   0.00115   0.00145   0.00260  -2.76240
   D92        1.03549   0.00003   0.00013   0.00075   0.00087   1.03637
   D93       -1.11386   0.00004   0.00015   0.00066   0.00081  -1.11305
   D94       -3.08917   0.00003   0.00012   0.00075   0.00087  -3.08830
   D95       -1.11179  -0.00003   0.00022   0.00006   0.00028  -1.11151
   D96        3.02204  -0.00003   0.00025  -0.00003   0.00022   3.02226
   D97        1.04673  -0.00003   0.00022   0.00006   0.00028   1.04701
   D98        3.08122  -0.00001   0.00017   0.00026   0.00042   3.08165
   D99        0.93187   0.00000   0.00019   0.00017   0.00036   0.93223
   D100      -1.04344  -0.00001   0.00016   0.00025   0.00042  -1.04303
   D101       1.12226  -0.00001   0.00104  -0.00007   0.00098   1.12324
   D102      -1.00606  -0.00001   0.00119  -0.00011   0.00107  -1.00498
   D103      -3.01811   0.00003   0.00094  -0.00003   0.00090  -3.01720
   D104      -3.01417  -0.00003   0.00083   0.00018   0.00101  -3.01316
   D105       1.14069  -0.00003   0.00097   0.00014   0.00111   1.14180
   D106      -0.87136   0.00001   0.00072   0.00021   0.00094  -0.87042
   D107      -0.93046  -0.00003   0.00073   0.00016   0.00088  -0.92957
   D108      -3.05878  -0.00003   0.00087   0.00011   0.00098  -3.05780
   D109       1.21236   0.00001   0.00062   0.00019   0.00081   1.21316
   D110      -1.63601  -0.00001   0.00058  -0.00048   0.00010  -1.63591
   D111       1.51373  -0.00001   0.00054  -0.00034   0.00020   1.51393
   D112       0.50084  -0.00001   0.00061  -0.00040   0.00021   0.50105
   D113      -2.63260  -0.00001   0.00056  -0.00026   0.00031  -2.63229
   D114       2.50131   0.00000   0.00064  -0.00045   0.00019   2.50150
   D115      -0.63213   0.00000   0.00060  -0.00031   0.00029  -0.63184
   D116       3.13959   0.00000  -0.00003   0.00007   0.00004   3.13963
   D117      -0.01883   0.00000  -0.00008   0.00006  -0.00002  -0.01885
   D118      -0.01007   0.00000   0.00001  -0.00007  -0.00006  -0.01013
   D119       3.11469   0.00000  -0.00004  -0.00008  -0.00012   3.11458
   D120      -3.13906   0.00000   0.00001  -0.00009  -0.00009  -3.13914
   D121       0.01022   0.00000  -0.00006  -0.00011  -0.00017   0.01005
   D122       0.01065   0.00000  -0.00003   0.00005   0.00001   0.01066
   D123      -3.12326   0.00000  -0.00010   0.00003  -0.00007  -3.12334
   D124       0.00172   0.00000   0.00002   0.00005   0.00007   0.00179
   D125       3.13805   0.00000   0.00004   0.00003   0.00008   3.13813
   D126      -3.12313   0.00000   0.00007   0.00006   0.00013  -3.12300
   D127       0.01320   0.00000   0.00009   0.00005   0.00014   0.01334
   D128       0.00610   0.00000  -0.00002  -0.00001  -0.00003   0.00607
   D129       3.14133   0.00000   0.00004  -0.00004   0.00000   3.14132
   D130      -3.13021   0.00000  -0.00005   0.00001  -0.00004  -3.13025
   D131       0.00501   0.00000   0.00001  -0.00003  -0.00001   0.00500
   D132      -0.00553   0.00000   0.00000  -0.00001  -0.00002  -0.00554
   D133       3.13301   0.00000   0.00003  -0.00003   0.00000   3.13301
   D134      -3.14075   0.00000  -0.00006   0.00002  -0.00005  -3.14080
   D135      -0.00221   0.00000  -0.00003   0.00000  -0.00003  -0.00224
   D136      -0.00288   0.00000   0.00003  -0.00001   0.00003  -0.00285
   D137       3.13107   0.00000   0.00010   0.00001   0.00011   3.13118
   D138      -3.14142   0.00000   0.00000   0.00001   0.00001  -3.14141
   D139      -0.00747   0.00000   0.00007   0.00003   0.00010  -0.00738
   D140      -1.82581  -0.00016   0.00089  -0.00047   0.00042  -1.82539
   D141       2.46744   0.00003   0.00044   0.00021   0.00064   2.46808
   D142       0.25757   0.00001   0.00041   0.00016   0.00058   0.25815
   D143       0.31798  -0.00011   0.00077  -0.00033   0.00044   0.31843
   D144      -1.67195   0.00008   0.00032   0.00035   0.00067  -1.67129
   D145       2.40136   0.00006   0.00030   0.00030   0.00060   2.40196
   D146       2.33098  -0.00014   0.00090  -0.00025   0.00064   2.33162
   D147       0.34104   0.00005   0.00045   0.00042   0.00087   0.34191
   D148      -1.86883   0.00003   0.00042   0.00038   0.00080  -1.86803
   D149       1.15698   0.00005   0.00569   0.00756   0.01325   1.17023
   D150      -2.98837   0.00005   0.00577   0.00736   0.01312  -2.97525
   D151      -0.95589  -0.00001   0.00622   0.00733   0.01354  -0.94234
   D152      -0.96718  -0.00006  -0.00019   0.00131   0.00112  -0.96606
   D153      -3.12651   0.00011   0.00004   0.00203   0.00206  -3.12444
   D154       1.15742   0.00000  -0.00026   0.00150   0.00124   1.15866
   D155      -3.03206   0.00000  -0.00032   0.00215   0.00183  -3.03023
   D156       1.09180   0.00017  -0.00009   0.00287   0.00278   1.09457
   D157      -0.90746   0.00006  -0.00039   0.00234   0.00195  -0.90551
   D158       1.24728  -0.00005  -0.00045   0.00149   0.00104   1.24832
   D159      -0.91205   0.00012  -0.00022   0.00221   0.00199  -0.91006
   D160      -2.91131   0.00001  -0.00053   0.00168   0.00116  -2.91015
   D161       2.98683  -0.00005   0.00095   0.00465   0.00560   2.99243
   D162      -1.15528  -0.00008   0.00105   0.00468   0.00573  -1.14955
   D163       0.84956  -0.00006   0.00092   0.00487   0.00579   0.85535
   D164      -1.17444   0.00012   0.00080   0.00478   0.00558  -1.16886
   D165       0.96663   0.00010   0.00090   0.00480   0.00571   0.97234
   D166       2.97147   0.00012   0.00078   0.00500   0.00577   2.97724
   D167       0.86936   0.00004   0.00101   0.00493   0.00594   0.87530
   D168       3.01043   0.00001   0.00111   0.00496   0.00607   3.01650
   D169      -1.26791   0.00004   0.00098   0.00515   0.00613  -1.26178
   D170       1.13606   0.00013  -0.00238  -0.00184  -0.00422   1.13184
   D171      -1.30720  -0.00001  -0.00231  -0.00620  -0.00852  -1.31572
   D172      -1.02112   0.00011  -0.00228  -0.00175  -0.00404  -1.02516
   D173       2.81880  -0.00003  -0.00222  -0.00611  -0.00834   2.81047
   D174      -3.10830   0.00012  -0.00229  -0.00191  -0.00420  -3.11250
   D175       0.73162  -0.00002  -0.00223  -0.00627  -0.00850   0.72312
   D176       1.67422  -0.00002   0.00081   0.00276   0.00356   1.67778
   D177      -1.47070  -0.00001   0.00077   0.00268   0.00345  -1.46725
   D178      -0.46558   0.00003   0.00093   0.00298   0.00391  -0.46167
   D179       2.67269   0.00003   0.00089   0.00290   0.00380   2.67649
   D180      -2.48054   0.00001   0.00073   0.00257   0.00331  -2.47724
   D181       0.65772   0.00001   0.00070   0.00250   0.00319   0.66091
   D182       3.13547   0.00000  -0.00010  -0.00008  -0.00018   3.13529
   D183      -0.01323  -0.00001  -0.00012  -0.00018  -0.00030  -0.01353
   D184      -0.00281   0.00000  -0.00006   0.00000  -0.00006  -0.00288
   D185       3.13167  -0.00001  -0.00008  -0.00011  -0.00019   3.13148
   D186      -3.13522   0.00000   0.00008   0.00007   0.00015  -3.13507
   D187       0.00714   0.00000   0.00009   0.00008   0.00017   0.00730
   D188       0.00305   0.00000   0.00004   0.00000   0.00004   0.00309
   D189      -3.13778   0.00000   0.00005   0.00000   0.00006  -3.13772
   D190       0.00033   0.00000   0.00003   0.00000   0.00003   0.00036
   D191       3.14087   0.00000   0.00003  -0.00003   0.00000   3.14087
   D192      -3.13410   0.00001   0.00005   0.00011   0.00015  -3.13395
   D193       0.00644   0.00001   0.00005   0.00007   0.00012   0.00656
   D194       0.00192   0.00000   0.00002   0.00001   0.00003   0.00194
   D195      -3.14063   0.00000   0.00003  -0.00002   0.00000  -3.14063
   D196      -3.13862   0.00000   0.00001   0.00005   0.00006  -3.13856
   D197       0.00202   0.00000   0.00002   0.00001   0.00003   0.00205
   D198      -0.00168   0.00000  -0.00003  -0.00002  -0.00005  -0.00173
   D199       3.13975   0.00000  -0.00004  -0.00002  -0.00005   3.13970
   D200       3.14087   0.00000  -0.00004   0.00002  -0.00003   3.14084
   D201      -0.00089   0.00000  -0.00005   0.00002  -0.00003  -0.00092
   D202      -0.00081   0.00000   0.00000   0.00002   0.00002  -0.00079
   D203       3.14002   0.00000  -0.00001   0.00001   0.00000   3.14003
   D204       3.14095   0.00000   0.00001   0.00002   0.00002   3.14097
   D205      -0.00140   0.00000  -0.00001   0.00001   0.00001  -0.00140
   D206       0.57016  -0.00001   0.00074  -0.00298  -0.00224   0.56792
   D207      -2.62198  -0.00011   0.00123  -0.00300  -0.00177  -2.62375
   D208       2.99511   0.00009   0.00078   0.00144   0.00222   2.99733
   D209      -0.19703   0.00000   0.00127   0.00142   0.00269  -0.19434
   D210       3.09947   0.00036   0.00048  -0.00003   0.00045   3.09992
   D211      -0.08834   0.00028   0.00092  -0.00007   0.00085  -0.08749
   D212      -1.15276   0.00033   0.00024   0.00173   0.00197  -1.15079
   D213       3.03128   0.00016   0.00027   0.00175   0.00202   3.03330
   D214       1.00745   0.00011   0.00036   0.00179   0.00216   1.00961
   D215      -2.05102  -0.00009  -0.00166   0.00172   0.00006  -2.05096
   D216       1.06826  -0.00008  -0.00117   0.00200   0.00083   1.06909
   D217      -0.09349   0.00000  -0.00178   0.00167  -0.00011  -0.09360
   D218       3.02579   0.00001  -0.00130   0.00196   0.00066   3.02644
   D219       2.11814   0.00001  -0.00172   0.00161  -0.00011   2.11804
   D220      -1.04576   0.00002  -0.00123   0.00190   0.00066  -1.04510
   D221       3.13580   0.00002   0.00054   0.00021   0.00074   3.13654
   D222      -0.01710   0.00006  -0.00001   0.00105   0.00103  -0.01606
   D223       0.01474   0.00002   0.00009  -0.00006   0.00003   0.01477
   D224      -3.13816   0.00005  -0.00046   0.00078   0.00032  -3.13783
   D225       3.14046  -0.00002  -0.00065  -0.00016  -0.00081   3.13965
   D226      -0.01920  -0.00001  -0.00027   0.00007  -0.00019  -0.01939
   D227       0.00063  -0.00001   0.00022   0.00000   0.00022   0.00085
   D228      -3.13080  -0.00005   0.00072  -0.00075  -0.00004  -3.13084
   D229      -0.01603   0.00001  -0.00043   0.00006  -0.00037  -0.01640
   D230      -3.11846   0.00004  -0.00140   0.00147   0.00007  -3.11839
   D231       0.02071   0.00000   0.00041  -0.00008   0.00033   0.02105
   D232       3.12474  -0.00003   0.00134  -0.00143  -0.00010   3.12464
   D233      -0.98122  -0.00003  -0.00615  -0.00165  -0.00779  -0.98901
   D234       1.11262  -0.00001  -0.00616  -0.00192  -0.00808   1.10454
   D235      -3.07004  -0.00005  -0.00597  -0.00232  -0.00829  -3.07833
   D236       3.13395   0.00003  -0.00602  -0.00129  -0.00731   3.12664
   D237      -1.05540   0.00005  -0.00603  -0.00156  -0.00760  -1.06300
   D238       1.04513   0.00001  -0.00585  -0.00196  -0.00781   1.03732
   D239       1.06677   0.00000  -0.00618  -0.00137  -0.00756   1.05922
   D240      -3.12258   0.00003  -0.00619  -0.00165  -0.00784  -3.13042
   D241      -1.02205  -0.00002  -0.00601  -0.00205  -0.00805  -1.03010
   D242       2.95807   0.00003   0.00182   0.00141   0.00323   2.96130
   D243      -1.25121  -0.00003   0.00172   0.00122   0.00294  -1.24827
   D244       0.87821  -0.00003   0.00190   0.00116   0.00306   0.88127
   D245      -1.13452   0.00007   0.00164   0.00139   0.00303  -1.13149
   D246       0.93939   0.00001   0.00153   0.00121   0.00274   0.94213
   D247       3.06881   0.00001   0.00171   0.00114   0.00286   3.07167
   D248       0.93482   0.00001   0.00181   0.00133   0.00314   0.93796
   D249       3.00873  -0.00005   0.00170   0.00115   0.00285   3.01158
   D250      -1.14504  -0.00005   0.00188   0.00108   0.00297  -1.14207
   D251       0.00095   0.00000   0.00008  -0.00009  -0.00001   0.00094
   D252       3.13355  -0.00001   0.00049   0.00023   0.00072   3.13427
         Item               Value     Threshold  Converged?
 Maximum Force            0.000710     0.000450     NO 
 RMS     Force            0.000077     0.000300     YES
 Maximum Displacement     0.095734     0.001800     NO 
 RMS     Displacement     0.014137     0.001200     NO 
 Predicted change in Energy=-7.212443D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.780704   -2.030192    0.960427
      2          6           0       -9.317999   -0.976948   -0.050892
      3          6           0      -10.070624    0.346103    0.120322
      4          6           0       -7.842530   -0.756267    0.065649
      5          7           0       -6.942654   -0.981055   -0.861058
      6          6           0       -5.627927   -0.669200   -0.424723
      7          6           0       -4.501837   -0.896809   -1.393804
      8          7           0       -3.907968    0.360956   -1.914989
      9          6           0       -4.790665    1.096985   -2.862452
     10          6           0       -3.084719    1.178642   -1.098361
     11          8           0       -2.898286    2.365652   -1.345204
     12          7           0       -2.428618    0.559233    0.007751
     13          6           0       -1.296802    1.312355    0.594863
     14          6           0       -0.010920    1.069147   -0.223103
     15          8           0        0.224205    0.023424   -0.818932
     16          7           0        0.904736    2.115986   -0.226206
     17          6           0        2.190040    2.023053   -0.972608
     18          6           0        2.470725    3.351230   -1.709807
     19          6           0        2.566931    4.552532   -0.810773
     20          6           0        1.432157    5.344895   -0.574113
     21          6           0        1.517627    6.460572    0.262706
     22          6           0        2.733027    6.795972    0.867452
     23          6           0        3.867030    6.014057    0.626017
     24          6           0        3.787778    4.897460   -0.210466
     25          6           0        3.334129    1.631887   -0.013568
     26          6           0        3.121388    0.230175    0.567592
     27          8           0        2.677946    0.342697    1.937268
     28          6           0        4.410083   -0.631541    0.718674
     29          6           0        5.167110   -0.763274   -0.612840
     30          6           0        6.508969   -1.415804   -0.426886
     31          6           0        6.653136   -2.794412   -0.646441
     32          6           0        7.900159   -3.401356   -0.481663
     33          6           0        9.008911   -2.639517   -0.097361
     34          6           0        8.865929   -1.266460    0.124354
     35          6           0        7.620582   -0.652900   -0.038568
     36          7           0        4.018937   -1.966061    1.272938
     37          6           0        3.207207   -2.798313    0.499335
     38          8           0        3.161391   -2.912325   -0.715967
     39          8           0        2.435188   -3.591322    1.337992
     40          6           0        1.486108   -4.485939    0.673082
     41          6           0        0.443314   -3.704301   -0.019440
     42          6           0       -0.909953   -3.660567    0.180519
     43          7           0       -1.616713   -2.785616   -0.669776
     44          6           0       -0.806495   -2.168806   -1.511501
     45         16           0        0.885724   -2.599635   -1.301714
     46          6           0       -1.116861    0.883065    2.080616
     47          6           0       -0.563416   -0.534091    2.220397
     48          6           0       -0.232673    1.890268    2.821981
     49          6           0       -5.535432   -0.196229    0.853079
     50         16           0       -7.115310   -0.124643    1.569149
     51          1           0      -10.842682   -2.264807    0.821547
     52          1           0       -9.220513   -2.967109    0.847318
     53          1           0       -9.656409   -1.696285    1.997297
     54          1           0       -9.524523   -1.369304   -1.087888
     55          1           0       -9.967267    0.756784    1.131721
     56          1           0       -9.708753    1.107525   -0.582004
     57          1           0      -11.142765    0.212110   -0.065891
     58          1           0       -3.707693   -1.529442   -0.920391
     59          1           0       -4.864265   -1.491025   -2.271873
     60          1           0       -4.863726    0.516483   -3.796701
     61          1           0       -4.356943    2.086750   -3.101945
     62          1           0       -5.805893    1.253516   -2.462270
     63          1           0       -2.284942   -0.460499   -0.017459
     64          1           0       -1.567188    2.409539    0.557092
     65          1           0        0.717895    2.992559    0.256478
     66          1           0        2.076396    1.210154   -1.749213
     67          1           0        1.673446    3.510115   -2.470542
     68          1           0        3.402888    3.241395   -2.302879
     69          1           0        0.484439    5.101894   -1.054579
     70          1           0        0.634169    7.073250    0.439730
     71          1           0        2.797653    7.665318    1.518604
     72          1           0        4.817146    6.277376    1.089253
     73          1           0        4.677853    4.301349   -0.399639
     74          1           0        3.421657    2.364140    0.816794
     75          1           0        4.300445    1.692538   -0.554445
     76          1           0        2.340393   -0.329743   -0.009927
     77          1           0        1.769497    0.745936    1.975545
     78          1           0        5.077848   -0.163371    1.493731
     79          1           0        4.553989   -1.343952   -1.345679
     80          1           0        5.287067    0.241946   -1.070803
     81          1           0        5.785630   -3.388216   -0.939216
     82          1           0        8.008372   -4.471234   -0.652149
     83          1           0        9.978950   -3.114460    0.029359
     84          1           0        9.726829   -0.672290    0.425094
     85          1           0        7.517772    0.414596    0.137197
     86          1           0        3.798811   -1.935921    2.279670
     87          1           0        1.105746   -5.062872    1.540808
     88          1           0        2.054212   -5.145863   -0.013779
     89          1           0       -1.483343   -4.226940    0.906178
     90          1           0       -1.116006   -1.432906   -2.248175
     91          1           0       -2.139837    0.909375    2.543861
     92          1           0       -1.192682   -1.273745    1.707550
     93          1           0        0.446895   -0.643154    1.798863
     94          1           0       -0.505331   -0.837951    3.272163
     95          1           0       -0.250835    1.697868    3.903453
     96          1           0        0.823527    1.831355    2.513367
     97          1           0       -0.568035    2.923443    2.679427
     98          1           0       -4.650829    0.110277    1.388361
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0814910      0.0289248      0.0233375
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.4564107755 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258559704421     A.U. after   16 cycles
             Convg  =    0.7393D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000007441    0.000006692    0.000015755
      2        6           0.000004946   -0.000035684   -0.000031605
      3        6          -0.000016799    0.000003766    0.000019137
      4        6           0.000024930    0.000033411    0.000043538
      5        7          -0.000046613   -0.000056158   -0.000001956
      6        6          -0.000030491   -0.000062547   -0.000023128
      7        6          -0.000036205   -0.000034988   -0.000136437
      8        7           0.000080102   -0.000039174    0.000118006
      9        6           0.000029119    0.000023678    0.000018937
     10        6          -0.000037866    0.000006683    0.000141001
     11        8          -0.000054908    0.000021912    0.000015760
     12        7           0.000068940   -0.000118321   -0.000190838
     13        6           0.000025955   -0.000016011   -0.000028284
     14        6           0.000031008    0.000145168   -0.000261630
     15        8           0.000030668   -0.000167106    0.000036846
     16        7          -0.000023878    0.000116972    0.000101599
     17        6           0.000087706   -0.000099793   -0.000053973
     18        6           0.000001436    0.000055936    0.000012144
     19        6          -0.000004618   -0.000009541    0.000019507
     20        6           0.000000560   -0.000015473   -0.000012523
     21        6           0.000006631    0.000000000    0.000000996
     22        6           0.000005769   -0.000005237    0.000002353
     23        6          -0.000011889   -0.000007270    0.000002043
     24        6          -0.000000780    0.000004411    0.000003827
     25        6           0.000019028   -0.000155411   -0.000070916
     26        6           0.000112269    0.000011093    0.000053806
     27        8          -0.000135526   -0.000140350   -0.000102133
     28        6           0.000211478    0.000014436    0.000124245
     29        6           0.000049367    0.000053312    0.000019774
     30        6          -0.000017162    0.000001958   -0.000012236
     31        6           0.000016511   -0.000007865   -0.000032535
     32        6          -0.000012784    0.000012006    0.000007193
     33        6           0.000000264    0.000003793   -0.000002049
     34        6           0.000013029   -0.000000175   -0.000005022
     35        6          -0.000008478   -0.000014193    0.000019256
     36        7          -0.000138763   -0.000027341   -0.000007214
     37        6           0.000039245    0.000185298   -0.000337632
     38        8           0.000103628   -0.000130966    0.000176488
     39        8           0.000124913    0.000157839    0.000214321
     40        6          -0.000110108   -0.000178962    0.000048808
     41        6           0.000042710   -0.000010760   -0.000107645
     42        6          -0.000100155    0.000084005   -0.000015864
     43        7          -0.000093595    0.000039598   -0.000090374
     44        6           0.000015593    0.000016078    0.000035455
     45       16          -0.000039730   -0.000040666    0.000157678
     46        6           0.000051505    0.000078034   -0.000020516
     47        6          -0.000150181   -0.000086984    0.000024278
     48        6           0.000086600   -0.000023875    0.000004892
     49        6           0.000054518    0.000031461    0.000036390
     50       16          -0.000051490    0.000019481   -0.000052197
     51        1          -0.000011010    0.000013767   -0.000006183
     52        1          -0.000004752   -0.000012480    0.000005620
     53        1           0.000015864   -0.000009192   -0.000004393
     54        1           0.000011831   -0.000002858   -0.000019005
     55        1           0.000009212   -0.000000268   -0.000000054
     56        1           0.000000819    0.000003847   -0.000005494
     57        1           0.000015583    0.000001437    0.000006896
     58        1          -0.000028496   -0.000003539    0.000050095
     59        1          -0.000028010    0.000093959   -0.000005607
     60        1           0.000002763    0.000006628   -0.000002535
     61        1          -0.000001866   -0.000000310   -0.000033821
     62        1          -0.000013119   -0.000022439    0.000004492
     63        1          -0.000029785    0.000015406    0.000038786
     64        1           0.000015142    0.000030657    0.000079661
     65        1          -0.000009149    0.000005665   -0.000013643
     66        1          -0.000020138    0.000051141    0.000024245
     67        1          -0.000000249   -0.000003726    0.000002119
     68        1           0.000001321   -0.000004349   -0.000004307
     69        1           0.000002965    0.000003785    0.000000485
     70        1          -0.000002910    0.000000504   -0.000001813
     71        1           0.000002776   -0.000000538   -0.000001725
     72        1           0.000004123    0.000002480    0.000000614
     73        1           0.000005152    0.000000615    0.000002686
     74        1          -0.000025741    0.000142866   -0.000000811
     75        1           0.000027356   -0.000006892   -0.000019067
     76        1          -0.000063497    0.000086561   -0.000029551
     77        1          -0.000131609   -0.000026100    0.000105542
     78        1           0.000053424   -0.000030015    0.000029167
     79        1           0.000007530    0.000026378    0.000032246
     80        1          -0.000041516   -0.000023780   -0.000015502
     81        1           0.000020944    0.000006709    0.000012046
     82        1           0.000000797   -0.000002188   -0.000000726
     83        1          -0.000001936    0.000001096    0.000003390
     84        1           0.000002197    0.000000755    0.000000383
     85        1           0.000006423    0.000004152   -0.000000275
     86        1          -0.000037431   -0.000027375   -0.000005824
     87        1          -0.000023766   -0.000000007   -0.000111329
     88        1           0.000014820    0.000047158   -0.000014418
     89        1           0.000023521   -0.000080937    0.000039964
     90        1           0.000011850   -0.000029314   -0.000010849
     91        1           0.000034057   -0.000000948    0.000009360
     92        1           0.000018286    0.000084780    0.000019970
     93        1           0.000131799   -0.000062160   -0.000014431
     94        1           0.000056742   -0.000015641   -0.000032542
     95        1          -0.000015874   -0.000010932    0.000016813
     96        1          -0.000201313    0.000089862   -0.000014278
     97        1          -0.000025396    0.000019175    0.000023649
     98        1           0.000011295   -0.000005567   -0.000017372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000337632 RMS     0.000063790

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000759029 RMS     0.000078532
 Search for a local minimum.
 Step number  80 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   69   70   73   72   74
                                                     75   76   77   78   79
                                                     80
 DE= -8.54D-06 DEPred=-7.21D-06 R= 1.18D+00
 SS=  1.41D+00  RLast= 6.86D-02 DXNew= 5.6361D-01 2.0571D-01
 Trust test= 1.18D+00 RLast= 6.86D-02 DXMaxT set to 3.35D-01
     Eigenvalues ---    0.00066   0.00115   0.00195   0.00227   0.00230
     Eigenvalues ---    0.00294   0.00358   0.00412   0.00540   0.00593
     Eigenvalues ---    0.00666   0.00703   0.00763   0.00807   0.00904
     Eigenvalues ---    0.00909   0.00988   0.01060   0.01188   0.01246
     Eigenvalues ---    0.01303   0.01410   0.01421   0.01455   0.01479
     Eigenvalues ---    0.01589   0.01618   0.01705   0.01732   0.01755
     Eigenvalues ---    0.01927   0.02017   0.02108   0.02194   0.02200
     Eigenvalues ---    0.02203   0.02220   0.02256   0.02258   0.02268
     Eigenvalues ---    0.02290   0.02330   0.02372   0.02404   0.02409
     Eigenvalues ---    0.02415   0.02447   0.02482   0.02485   0.02524
     Eigenvalues ---    0.02527   0.02529   0.02565   0.02699   0.02711
     Eigenvalues ---    0.02930   0.02954   0.03367   0.03891   0.04011
     Eigenvalues ---    0.04070   0.04164   0.04195   0.04319   0.04478
     Eigenvalues ---    0.04595   0.04740   0.04943   0.04968   0.05084
     Eigenvalues ---    0.05176   0.05216   0.05258   0.05376   0.05403
     Eigenvalues ---    0.05452   0.05509   0.05526   0.05571   0.05637
     Eigenvalues ---    0.05722   0.05742   0.05825   0.05850   0.05890
     Eigenvalues ---    0.05982   0.06038   0.06136   0.06227   0.06349
     Eigenvalues ---    0.06524   0.06792   0.06896   0.07089   0.07139
     Eigenvalues ---    0.07534   0.08356   0.08425   0.08634   0.08787
     Eigenvalues ---    0.09364   0.09619   0.09882   0.10338   0.11562
     Eigenvalues ---    0.12089   0.12905   0.13130   0.13341   0.13439
     Eigenvalues ---    0.13839   0.14086   0.14567   0.15533   0.15631
     Eigenvalues ---    0.15713   0.15857   0.15958   0.15977   0.15981
     Eigenvalues ---    0.15986   0.15994   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16003   0.16004   0.16008   0.16012   0.16019
     Eigenvalues ---    0.16052   0.16064   0.16087   0.16117   0.16175
     Eigenvalues ---    0.16254   0.16542   0.16855   0.16876   0.17257
     Eigenvalues ---    0.17872   0.18005   0.18316   0.18791   0.19205
     Eigenvalues ---    0.19779   0.20273   0.20659   0.20938   0.21797
     Eigenvalues ---    0.21865   0.22000   0.22000   0.22003   0.22040
     Eigenvalues ---    0.22225   0.22423   0.22719   0.23131   0.23444
     Eigenvalues ---    0.23494   0.23567   0.23702   0.24076   0.24359
     Eigenvalues ---    0.24503   0.24639   0.24858   0.24996   0.25103
     Eigenvalues ---    0.25243   0.25450   0.25843   0.26450   0.27309
     Eigenvalues ---    0.28323   0.29419   0.29774   0.29929   0.29954
     Eigenvalues ---    0.30024   0.30173   0.30310   0.30443   0.30668
     Eigenvalues ---    0.30836   0.30922   0.31331   0.31425   0.31442
     Eigenvalues ---    0.31497   0.31506   0.31651   0.31708   0.31899
     Eigenvalues ---    0.31991   0.32150   0.32334   0.32389   0.32508
     Eigenvalues ---    0.32610   0.32679   0.32769   0.32841   0.32906
     Eigenvalues ---    0.33015   0.33038   0.33063   0.33162   0.33190
     Eigenvalues ---    0.33245   0.33333   0.33542   0.33665   0.33696
     Eigenvalues ---    0.33750   0.33787   0.33960   0.33981   0.34086
     Eigenvalues ---    0.34117   0.34228   0.34286   0.34307   0.34319
     Eigenvalues ---    0.34494   0.34567   0.34684   0.34738   0.35330
     Eigenvalues ---    0.35912   0.36251   0.36312   0.36373   0.36472
     Eigenvalues ---    0.36636   0.36851   0.36925   0.37058   0.37550
     Eigenvalues ---    0.38293   0.38633   0.39247   0.40212   0.40904
     Eigenvalues ---    0.41390   0.41779   0.42492   0.42867   0.43164
     Eigenvalues ---    0.43369   0.43738   0.44426   0.45197   0.45917
     Eigenvalues ---    0.46161   0.47543   0.47716   0.48375   0.48442
     Eigenvalues ---    0.48637   0.48938   0.49296   0.49786   0.50368
     Eigenvalues ---    0.50971   0.51180   0.51348   0.51580   0.56438
     Eigenvalues ---    0.57265   0.58819   0.60218   0.62392   0.64061
     Eigenvalues ---    0.65637   0.68103   0.77786   0.79329   0.85525
     Eigenvalues ---    1.46846   1.99004   4.186261000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    80   79   78   77   76
 RFO step:  Lambda=-3.99966843D-06.
 DIIS coeffs:      2.06583     -0.81836     -0.82565      0.31703      0.26115
 Iteration  1 RMS(Cart)=  0.01496967 RMS(Int)=  0.00004852
 Iteration  2 RMS(Cart)=  0.00012276 RMS(Int)=  0.00000079
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000079
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89454   0.00001   0.00006   0.00004   0.00011   2.89465
    R2        2.07193   0.00000  -0.00002  -0.00002  -0.00004   2.07188
    R3        2.07390   0.00000   0.00001   0.00001   0.00002   2.07392
    R4        2.07185   0.00001   0.00001   0.00001   0.00002   2.07187
    R5        2.89457  -0.00001  -0.00005  -0.00005  -0.00010   2.89446
    R6        2.82784   0.00000   0.00004  -0.00002   0.00001   2.82785
    R7        2.13125   0.00001   0.00001   0.00000   0.00002   2.13127
    R8        2.07205   0.00000   0.00001   0.00000   0.00001   2.07205
    R9        2.07352   0.00000  -0.00002   0.00001   0.00000   2.07351
   R10        2.07191   0.00001   0.00004   0.00002   0.00006   2.07197
   R11        2.47770   0.00001  -0.00003   0.00002  -0.00001   2.47769
   R12        3.37426  -0.00003  -0.00006   0.00008   0.00002   3.37428
   R13        2.68324  -0.00003   0.00008  -0.00002   0.00006   2.68331
   R14        2.84025  -0.00002  -0.00024   0.00038   0.00013   2.84038
   R15        2.58073  -0.00001  -0.00013   0.00007  -0.00005   2.58068
   R16        2.80692  -0.00012  -0.00035   0.00002  -0.00033   2.80658
   R17        2.11701   0.00005   0.00027   0.00006   0.00033   2.11733
   R18        2.11738   0.00009   0.00024   0.00009   0.00033   2.11771
   R19        2.81473   0.00002   0.00006  -0.00005   0.00000   2.81473
   R20        2.68130  -0.00005  -0.00009  -0.00001  -0.00010   2.68120
   R21        2.08311   0.00001   0.00005   0.00002   0.00007   2.08318
   R22        2.09164   0.00002   0.00008   0.00000   0.00008   2.09171
   R23        2.08328  -0.00001  -0.00010   0.00001  -0.00009   2.08318
   R24        2.31804  -0.00003   0.00010   0.00000   0.00009   2.31813
   R25        2.69749  -0.00017  -0.00043   0.00014  -0.00029   2.69721
   R26        2.79839  -0.00014  -0.00033   0.00034   0.00001   2.79840
   R27        1.94663   0.00004  -0.00015   0.00017   0.00002   1.94665
   R28        2.91637  -0.00001   0.00004   0.00006   0.00010   2.91647
   R29        2.94223  -0.00001   0.00019  -0.00008   0.00012   2.94235
   R30        2.13660  -0.00006  -0.00002  -0.00015  -0.00017   2.13643
   R31        2.31739  -0.00016  -0.00009   0.00003  -0.00006   2.31733
   R32        2.62822  -0.00012  -0.00021   0.00007  -0.00014   2.62808
   R33        2.81421  -0.00005  -0.00007  -0.00002  -0.00010   2.81411
   R34        1.92369  -0.00001  -0.00013   0.00008  -0.00005   1.92364
   R35        2.91918  -0.00003   0.00021  -0.00029  -0.00007   2.91911
   R36        2.91637   0.00011   0.00003  -0.00007  -0.00004   2.91633
   R37        2.13534   0.00005  -0.00004   0.00021   0.00017   2.13551
   R38        2.84129   0.00003   0.00000  -0.00001  -0.00001   2.84128
   R39        2.10398   0.00000   0.00005  -0.00006  -0.00002   2.10397
   R40        2.09813   0.00000  -0.00001   0.00005   0.00004   2.09817
   R41        2.65341   0.00001   0.00002  -0.00001   0.00000   2.65341
   R42        2.65223   0.00000   0.00001   0.00003   0.00004   2.65227
   R43        2.64042   0.00000  -0.00001   0.00003   0.00002   2.64044
   R44        2.05977   0.00000   0.00000   0.00001   0.00001   2.05979
   R45        2.64252   0.00000  -0.00002   0.00002  -0.00001   2.64251
   R46        2.05903   0.00000   0.00000  -0.00001  -0.00001   2.05902
   R47        2.64268   0.00001   0.00000   0.00004   0.00004   2.64271
   R48        2.05619   0.00000   0.00000   0.00000   0.00000   2.05619
   R49        2.64073   0.00001   0.00000   0.00001   0.00001   2.64074
   R50        2.05854   0.00000   0.00000  -0.00001  -0.00001   2.05852
   R51        2.05570   0.00000  -0.00001   0.00001   0.00000   2.05569
   R52        2.89554   0.00015   0.00027  -0.00013   0.00014   2.89568
   R53        2.09866  -0.00014  -0.00017  -0.00017  -0.00034   2.09833
   R54        2.09580  -0.00001   0.00016  -0.00008   0.00008   2.09588
   R55        2.72888  -0.00004  -0.00001  -0.00007  -0.00008   2.72880
   R56        2.94343  -0.00007   0.00002   0.00006   0.00008   2.94351
   R57        2.11868   0.00006   0.00019  -0.00008   0.00011   2.11878
   R58        1.87963  -0.00014  -0.00027  -0.00027  -0.00053   1.87910
   R59        2.90513  -0.00002   0.00020  -0.00013   0.00007   2.90519
   R60        2.82901  -0.00002  -0.00022   0.00006  -0.00016   2.82885
   R61        2.12609   0.00002  -0.00020   0.00017  -0.00003   2.12607
   R62        2.84148  -0.00002  -0.00005   0.00000  -0.00005   2.84144
   R63        2.11291   0.00002  -0.00004   0.00006   0.00002   2.11293
   R64        2.09971   0.00002   0.00014  -0.00003   0.00011   2.09983
   R65        2.65205  -0.00002  -0.00003   0.00001  -0.00002   2.65204
   R66        2.65135  -0.00001  -0.00003   0.00005   0.00002   2.65137
   R67        2.63926   0.00001   0.00001   0.00001   0.00001   2.63927
   R68        2.06222   0.00002   0.00005   0.00009   0.00013   2.06235
   R69        2.64387   0.00000  -0.00002   0.00004   0.00002   2.64389
   R70        2.05747   0.00000   0.00001  -0.00002  -0.00001   2.05746
   R71        2.64216   0.00001   0.00001   0.00002   0.00003   2.64219
   R72        2.05503   0.00000   0.00000   0.00000   0.00000   2.05503
   R73        2.64149  -0.00001  -0.00002   0.00001  -0.00001   2.64148
   R74        2.05679   0.00000  -0.00001   0.00000   0.00000   2.05679
   R75        2.05365   0.00000   0.00000   0.00002   0.00002   2.05367
   R76        2.63887   0.00006  -0.00037  -0.00006  -0.00043   2.63844
   R77        1.94823  -0.00001  -0.00072   0.00006  -0.00066   1.94757
   R78        2.30830  -0.00023   0.00005   0.00007   0.00012   2.30841
   R79        2.62408   0.00007   0.00001   0.00007   0.00008   2.62416
   R80        2.76649  -0.00023   0.00000  -0.00015  -0.00016   2.76634
   R81        2.78884  -0.00011   0.00010  -0.00009   0.00001   2.78885
   R82        2.09621  -0.00011   0.00009  -0.00012  -0.00002   2.09619
   R83        2.09582   0.00002   0.00001   0.00000   0.00001   2.09583
   R84        2.58639  -0.00010  -0.00012  -0.00001  -0.00013   2.58626
   R85        3.30580  -0.00013   0.00015   0.00002   0.00017   3.30597
   R86        2.66448   0.00003   0.00005  -0.00005   0.00000   2.66448
   R87        2.04941   0.00003   0.00003   0.00008   0.00011   2.04951
   R88        2.49659  -0.00005  -0.00013   0.00006  -0.00006   2.49653
   R89        3.32357  -0.00003   0.00015  -0.00007   0.00008   3.32365
   R90        2.05280   0.00002  -0.00002   0.00001   0.00000   2.05279
   R91        2.88712  -0.00008  -0.00024   0.00028   0.00004   2.88716
   R92        2.89435  -0.00003   0.00023  -0.00012   0.00011   2.89446
   R93        2.12270   0.00003  -0.00006  -0.00001  -0.00007   2.12263
   R94        2.07533   0.00009  -0.00006   0.00023   0.00017   2.07549
   R95        2.07897  -0.00012  -0.00045   0.00005  -0.00040   2.07856
   R96        2.07174  -0.00003  -0.00012   0.00005  -0.00007   2.07167
   R97        2.07606   0.00002   0.00010  -0.00008   0.00002   2.07608
   R98        2.08237   0.00018   0.00062   0.00004   0.00065   2.08302
   R99        2.07030  -0.00004  -0.00001  -0.00014  -0.00015   2.07015
   R100       3.28067  -0.00004   0.00001  -0.00002   0.00000   3.28067
   R101       2.03792  -0.00001   0.00001   0.00000   0.00001   2.03793
    A1        1.93489   0.00000   0.00001  -0.00003  -0.00002   1.93486
    A2        1.94420   0.00000   0.00005   0.00002   0.00006   1.94426
    A3        1.96140  -0.00001  -0.00010  -0.00010  -0.00020   1.96120
    A4        1.87410   0.00000  -0.00001  -0.00003  -0.00004   1.87406
    A5        1.87001   0.00001   0.00009   0.00011   0.00020   1.87021
    A6        1.87507   0.00000  -0.00002   0.00004   0.00002   1.87509
    A7        1.95164  -0.00002  -0.00007   0.00001  -0.00006   1.95158
    A8        1.92606  -0.00002  -0.00033  -0.00025  -0.00059   1.92547
    A9        1.88867   0.00002  -0.00003   0.00017   0.00014   1.88882
   A10        1.92665   0.00004   0.00050   0.00014   0.00065   1.92729
   A11        1.88946  -0.00001  -0.00007  -0.00004  -0.00011   1.88935
   A12        1.87913  -0.00001  -0.00001  -0.00002  -0.00003   1.87910
   A13        1.96092   0.00001   0.00010   0.00009   0.00019   1.96111
   A14        1.94528   0.00000   0.00007  -0.00004   0.00003   1.94531
   A15        1.93471   0.00000  -0.00005  -0.00001  -0.00007   1.93464
   A16        1.87487   0.00000   0.00005   0.00002   0.00007   1.87494
   A17        1.86984  -0.00001  -0.00017  -0.00004  -0.00022   1.86963
   A18        1.87401   0.00000  -0.00001  -0.00001  -0.00002   1.87400
   A19        2.20979   0.00002   0.00005   0.00011   0.00015   2.20995
   A20        2.11684   0.00002   0.00001  -0.00006  -0.00005   2.11679
   A21        1.95655  -0.00004  -0.00006  -0.00005  -0.00010   1.95645
   A22        1.96128   0.00003   0.00008   0.00006   0.00014   1.96142
   A23        2.05142  -0.00004  -0.00052  -0.00007  -0.00059   2.05083
   A24        2.01120  -0.00002  -0.00010  -0.00003  -0.00013   2.01107
   A25        2.22055   0.00006   0.00061   0.00010   0.00071   2.22126
   A26        1.97965  -0.00014  -0.00008   0.00014   0.00006   1.97971
   A27        1.92215   0.00003  -0.00035  -0.00015  -0.00049   1.92166
   A28        1.92116   0.00004   0.00021   0.00011   0.00032   1.92148
   A29        1.92095   0.00005   0.00047   0.00006   0.00053   1.92148
   A30        1.87908   0.00006   0.00008   0.00009   0.00017   1.87925
   A31        1.83483  -0.00003  -0.00034  -0.00028  -0.00062   1.83421
   A32        1.98744  -0.00001   0.00001  -0.00001   0.00000   1.98744
   A33        2.11533  -0.00001   0.00043  -0.00002   0.00040   2.11573
   A34        2.00995   0.00003   0.00021  -0.00021  -0.00001   2.00994
   A35        1.89458   0.00000   0.00005  -0.00005   0.00001   1.89459
   A36        1.92548   0.00003   0.00028  -0.00018   0.00010   1.92558
   A37        1.96601  -0.00002  -0.00023   0.00017  -0.00005   1.96595
   A38        1.88967  -0.00001  -0.00017  -0.00009  -0.00026   1.88941
   A39        1.89799   0.00001   0.00020   0.00008   0.00028   1.89828
   A40        1.88855   0.00000  -0.00014   0.00006  -0.00009   1.88846
   A41        2.12943   0.00002  -0.00007  -0.00025  -0.00032   2.12911
   A42        2.05172   0.00000   0.00007   0.00033   0.00041   2.05213
   A43        2.10131  -0.00002  -0.00001  -0.00007  -0.00008   2.10123
   A44        2.02398   0.00000   0.00026  -0.00023   0.00003   2.02402
   A45        2.06542   0.00000   0.00014  -0.00007   0.00007   2.06549
   A46        1.98947  -0.00002   0.00014  -0.00034  -0.00020   1.98928
   A47        1.92468   0.00003  -0.00013  -0.00009  -0.00022   1.92446
   A48        1.90333  -0.00001   0.00038   0.00010   0.00048   1.90382
   A49        1.87287   0.00000  -0.00010   0.00011   0.00002   1.87289
   A50        1.94554  -0.00001  -0.00002  -0.00038  -0.00040   1.94513
   A51        1.91185  -0.00003   0.00017   0.00045   0.00061   1.91246
   A52        1.90401   0.00001  -0.00031  -0.00017  -0.00047   1.90354
   A53        2.15515   0.00015   0.00019  -0.00024  -0.00005   2.15510
   A54        2.01654  -0.00024  -0.00019   0.00026   0.00007   2.01660
   A55        2.11126   0.00008  -0.00001  -0.00003  -0.00003   2.11123
   A56        2.12042   0.00023  -0.00019   0.00002  -0.00017   2.12025
   A57        2.12497  -0.00011   0.00014   0.00000   0.00013   2.12511
   A58        2.03734  -0.00013   0.00006  -0.00006  -0.00001   2.03733
   A59        1.92022  -0.00009  -0.00001  -0.00011  -0.00012   1.92010
   A60        1.92216   0.00019   0.00058   0.00000   0.00058   1.92275
   A61        1.87817  -0.00002  -0.00048   0.00032  -0.00015   1.87802
   A62        1.96036  -0.00014   0.00000  -0.00010  -0.00009   1.96027
   A63        1.88475   0.00005   0.00016  -0.00005   0.00011   1.88485
   A64        1.89580   0.00002  -0.00029  -0.00005  -0.00034   1.89546
   A65        1.99680  -0.00003   0.00014  -0.00017  -0.00003   1.99676
   A66        1.89511   0.00002  -0.00004  -0.00002  -0.00006   1.89505
   A67        1.89907   0.00001  -0.00005   0.00007   0.00002   1.89909
   A68        1.91809   0.00001   0.00002  -0.00001   0.00001   1.91810
   A69        1.92273   0.00001  -0.00003   0.00007   0.00004   1.92278
   A70        1.82384   0.00000  -0.00007   0.00009   0.00002   1.82386
   A71        2.09433   0.00001   0.00001  -0.00003  -0.00002   2.09431
   A72        2.10339   0.00000   0.00001   0.00006   0.00007   2.10347
   A73        2.08543  -0.00001  -0.00002  -0.00003  -0.00006   2.08538
   A74        2.09682   0.00001   0.00000   0.00004   0.00004   2.09686
   A75        2.09738   0.00000   0.00002  -0.00003  -0.00001   2.09738
   A76        2.08886   0.00000  -0.00003  -0.00001  -0.00003   2.08883
   A77        2.09866   0.00000   0.00002  -0.00001   0.00000   2.09867
   A78        2.09058   0.00000  -0.00001  -0.00001  -0.00002   2.09056
   A79        2.09393   0.00000   0.00000   0.00002   0.00002   2.09395
   A80        2.08982   0.00000  -0.00001  -0.00001  -0.00002   2.08980
   A81        2.09678   0.00000   0.00002  -0.00001   0.00001   2.09678
   A82        2.09657   0.00000  -0.00001   0.00002   0.00001   2.09658
   A83        2.09917   0.00000   0.00000  -0.00001   0.00000   2.09916
   A84        2.09289   0.00000   0.00001  -0.00003  -0.00002   2.09287
   A85        2.09112   0.00000  -0.00001   0.00003   0.00002   2.09115
   A86        2.09640   0.00000   0.00001   0.00002   0.00003   2.09644
   A87        2.09749   0.00000  -0.00003   0.00001  -0.00002   2.09747
   A88        2.08927   0.00000   0.00002  -0.00003  -0.00001   2.08925
   A89        1.94404   0.00044   0.00008   0.00034   0.00042   1.94446
   A90        1.93472  -0.00010   0.00017   0.00008   0.00024   1.93497
   A91        1.90604  -0.00017  -0.00042  -0.00001  -0.00042   1.90562
   A92        1.90766  -0.00015   0.00002  -0.00048  -0.00046   1.90720
   A93        1.93475  -0.00012   0.00017   0.00004   0.00021   1.93496
   A94        1.83373   0.00008  -0.00002   0.00001  -0.00002   1.83372
   A95        1.90827   0.00008  -0.00053  -0.00010  -0.00064   1.90763
   A96        2.01309   0.00000   0.00051   0.00009   0.00060   2.01370
   A97        1.93714  -0.00001   0.00011   0.00006   0.00017   1.93731
   A98        1.77744  -0.00023  -0.00056  -0.00053  -0.00109   1.77635
   A99        1.88976   0.00013   0.00072   0.00050   0.00122   1.89098
   A100       1.92838   0.00003  -0.00028  -0.00002  -0.00030   1.92808
   A101       1.92682   0.00017   0.00026   0.00015   0.00041   1.92723
   A102       1.95068  -0.00001   0.00013  -0.00026  -0.00013   1.95055
   A103       1.88906   0.00027   0.00050   0.00031   0.00082   1.88987
   A104       1.90463  -0.00013  -0.00052  -0.00019  -0.00071   1.90392
   A105       1.95298  -0.00025  -0.00095   0.00017  -0.00078   1.95220
   A106       1.91777   0.00012   0.00041   0.00008   0.00049   1.91825
   A107       1.84519   0.00000   0.00045  -0.00011   0.00034   1.84553
   A108       1.94929   0.00001   0.00040   0.00001   0.00041   1.94970
   A109       1.92001  -0.00002  -0.00039  -0.00014  -0.00053   1.91948
   A110       1.90988   0.00002  -0.00029   0.00015  -0.00014   1.90974
   A111       1.92307  -0.00002   0.00005  -0.00014  -0.00009   1.92298
   A112       1.92541  -0.00002  -0.00030   0.00010  -0.00020   1.92521
   A113       1.83268   0.00002   0.00053   0.00002   0.00055   1.83323
   A114       2.09281  -0.00006  -0.00005  -0.00011  -0.00016   2.09264
   A115       2.10053   0.00004   0.00000   0.00013   0.00013   2.10066
   A116       2.08985   0.00002   0.00005  -0.00002   0.00003   2.08988
   A117       2.09458   0.00000  -0.00002   0.00003   0.00001   2.09459
   A118       2.08844  -0.00001  -0.00002  -0.00006  -0.00008   2.08835
   A119       2.10015   0.00001   0.00004   0.00003   0.00007   2.10022
   A120       2.09828  -0.00001   0.00000  -0.00003  -0.00003   2.09825
   A121       2.09128   0.00001  -0.00001   0.00004   0.00003   2.09131
   A122       2.09362   0.00001   0.00001  -0.00001   0.00000   2.09362
   A123       2.09124   0.00000   0.00000   0.00001   0.00001   2.09125
   A124       2.09566   0.00000   0.00000  -0.00003  -0.00003   2.09564
   A125       2.09628   0.00000   0.00000   0.00001   0.00001   2.09630
   A126       2.09865   0.00000   0.00001   0.00000   0.00002   2.09867
   A127       2.09327   0.00000   0.00001   0.00000   0.00001   2.09329
   A128       2.09126   0.00000  -0.00002  -0.00001  -0.00003   2.09123
   A129       2.09377  -0.00001  -0.00003   0.00000  -0.00004   2.09373
   A130       2.09894   0.00000   0.00003  -0.00007  -0.00004   2.09890
   A131       2.09048   0.00001   0.00000   0.00008   0.00008   2.09056
   A132       2.06923  -0.00012   0.00045   0.00008   0.00052   2.06975
   A133       1.97280   0.00002   0.00140  -0.00010   0.00129   1.97409
   A134       2.02003   0.00015   0.00154  -0.00004   0.00149   2.02152
   A135       2.25056  -0.00013  -0.00054  -0.00014  -0.00067   2.24989
   A136       1.90599   0.00034   0.00036   0.00033   0.00069   1.90668
   A137       2.12555  -0.00021   0.00017  -0.00021  -0.00004   2.12551
   A138       2.02095  -0.00076  -0.00047  -0.00017  -0.00065   2.02031
   A139       1.92576  -0.00017   0.00041   0.00013   0.00054   1.92630
   A140       1.75671   0.00009  -0.00019   0.00016  -0.00003   1.75667
   A141       1.88896   0.00007  -0.00004   0.00004   0.00000   1.88896
   A142       1.98259   0.00016  -0.00015  -0.00010  -0.00025   1.98234
   A143       1.96761  -0.00013  -0.00006  -0.00019  -0.00026   1.96735
   A144       1.92904  -0.00001   0.00003   0.00002   0.00005   1.92909
   A145       2.27447   0.00019  -0.00002  -0.00003  -0.00005   2.27442
   A146       2.09407  -0.00027   0.00001   0.00010   0.00011   2.09418
   A147       1.91449   0.00007   0.00002  -0.00006  -0.00005   1.91444
   A148       2.01235  -0.00007   0.00001   0.00007   0.00009   2.01243
   A149       2.21910   0.00002   0.00006  -0.00008  -0.00002   2.21908
   A150       2.05169   0.00004  -0.00007   0.00001  -0.00006   2.05163
   A151       1.94607   0.00003   0.00003  -0.00004  -0.00002   1.94605
   A152       1.98199  -0.00003   0.00001   0.00000   0.00001   1.98201
   A153       2.18171   0.00002  -0.00009   0.00004  -0.00004   2.18166
   A154       2.11880   0.00001   0.00002   0.00004   0.00005   2.11885
   A155       1.56958  -0.00001  -0.00007   0.00003  -0.00004   1.56954
   A156       1.96593   0.00012   0.00038   0.00011   0.00049   1.96642
   A157       1.92549   0.00000  -0.00036  -0.00020  -0.00056   1.92493
   A158       1.85650  -0.00004   0.00013   0.00002   0.00015   1.85665
   A159       1.93539  -0.00018  -0.00028  -0.00032  -0.00060   1.93480
   A160       1.89009   0.00000  -0.00002   0.00033   0.00031   1.89040
   A161       1.88674   0.00011   0.00016   0.00008   0.00024   1.88698
   A162       1.95459   0.00006   0.00001   0.00030   0.00030   1.95489
   A163       1.97096  -0.00011   0.00011  -0.00027  -0.00016   1.97081
   A164       1.94342  -0.00007  -0.00002  -0.00018  -0.00020   1.94322
   A165       1.85512   0.00004  -0.00028   0.00031   0.00003   1.85514
   A166       1.86679   0.00001   0.00061  -0.00063  -0.00002   1.86677
   A167       1.86655   0.00008  -0.00043   0.00048   0.00006   1.86660
   A168       1.93027   0.00004   0.00002   0.00006   0.00008   1.93035
   A169       1.96341  -0.00018  -0.00053  -0.00018  -0.00071   1.96270
   A170       1.96109   0.00005   0.00024   0.00002   0.00026   1.96135
   A171       1.85686   0.00004   0.00015  -0.00005   0.00010   1.85696
   A172       1.86313  -0.00001   0.00012   0.00005   0.00017   1.86330
   A173       1.88324   0.00008   0.00003   0.00011   0.00013   1.88337
   A174       1.91620   0.00001   0.00006   0.00001   0.00007   1.91627
   A175       2.23752   0.00000   0.00017   0.00001   0.00018   2.23770
   A176       2.12943   0.00000  -0.00023  -0.00002  -0.00025   2.12918
   A177       1.57954   0.00002   0.00001   0.00001   0.00002   1.57956
    D1        1.07945   0.00000   0.00247   0.00222   0.00470   1.08415
    D2       -3.05199   0.00002   0.00283   0.00223   0.00506  -3.04693
    D3       -1.00002   0.00001   0.00262   0.00216   0.00478  -0.99524
    D4       -3.11789   0.00000   0.00249   0.00217   0.00467  -3.11322
    D5       -0.96614   0.00002   0.00285   0.00218   0.00503  -0.96111
    D6        1.08583   0.00001   0.00264   0.00211   0.00475   1.09058
    D7       -1.01270   0.00000   0.00243   0.00217   0.00460  -1.00811
    D8        1.13904   0.00002   0.00278   0.00218   0.00496   1.14400
    D9       -3.09217   0.00001   0.00257   0.00211   0.00468  -3.08750
   D10        0.99937  -0.00001   0.00011   0.00114   0.00124   1.00061
   D11        3.10472   0.00000   0.00029   0.00119   0.00148   3.10620
   D12       -1.09213   0.00000   0.00029   0.00114   0.00144  -1.09069
   D13       -1.15205   0.00001   0.00022   0.00136   0.00158  -1.15047
   D14        0.95331   0.00001   0.00041   0.00141   0.00182   0.95513
   D15        3.03965   0.00001   0.00041   0.00136   0.00177   3.04142
   D16        3.07837   0.00000  -0.00001   0.00132   0.00131   3.07968
   D17       -1.09946   0.00000   0.00017   0.00138   0.00155  -1.09791
   D18        0.98688   0.00000   0.00017   0.00133   0.00151   0.98838
   D19        2.05249   0.00000  -0.00457  -0.00302  -0.00759   2.04490
   D20       -1.09034   0.00000  -0.00400  -0.00316  -0.00715  -1.09749
   D21       -2.06448  -0.00001  -0.00454  -0.00309  -0.00763  -2.07211
   D22        1.07587  -0.00001  -0.00397  -0.00323  -0.00719   1.06868
   D23       -0.00536   0.00000  -0.00434  -0.00308  -0.00742  -0.01278
   D24        3.13500   0.00000  -0.00378  -0.00321  -0.00698   3.12802
   D25       -3.13836   0.00000   0.00078  -0.00025   0.00054  -3.13782
   D26        0.00437   0.00001   0.00026  -0.00012   0.00014   0.00451
   D27        3.13952   0.00000  -0.00059   0.00000  -0.00059   3.13893
   D28       -0.00314   0.00000  -0.00010  -0.00011  -0.00021  -0.00336
   D29        3.13143   0.00000  -0.00004  -0.00019  -0.00023   3.13120
   D30       -0.00380   0.00000  -0.00035   0.00039   0.00004  -0.00376
   D31        1.90196   0.00000   0.01140   0.00290   0.01429   1.91626
   D32       -2.21966  -0.00001   0.01170   0.00296   0.01466  -2.20500
   D33       -0.20448   0.00000   0.01121   0.00260   0.01381  -0.19068
   D34       -1.24686   0.00001   0.01175   0.00223   0.01398  -1.23288
   D35        0.91470   0.00000   0.01204   0.00230   0.01435   0.92905
   D36        2.92988   0.00001   0.01155   0.00194   0.01349   2.94337
   D37        0.00130   0.00000   0.00026  -0.00046  -0.00020   0.00110
   D38       -3.13137   0.00001  -0.00014  -0.00018  -0.00032  -3.13170
   D39       -3.13320  -0.00001  -0.00008   0.00019   0.00011  -3.13310
   D40        0.01731   0.00001  -0.00048   0.00047  -0.00001   0.01729
   D41       -1.24370   0.00000   0.00228  -0.00016   0.00211  -1.24159
   D42        1.27393   0.00002   0.00339  -0.00063   0.00276   1.27669
   D43        2.87727   0.00003   0.00242  -0.00012   0.00231   2.87957
   D44       -0.88829   0.00004   0.00354  -0.00059   0.00295  -0.88534
   D45        0.88634   0.00000   0.00254   0.00013   0.00268   0.88902
   D46       -2.87921   0.00002   0.00365  -0.00034   0.00332  -2.87589
   D47       -1.21277   0.00001  -0.00009  -0.00049  -0.00058  -1.21335
   D48        3.00248   0.00001  -0.00009  -0.00024  -0.00033   3.00214
   D49        0.89009   0.00002   0.00005  -0.00031  -0.00026   0.88984
   D50        2.51376   0.00001  -0.00122  -0.00011  -0.00134   2.51242
   D51        0.44582   0.00001  -0.00122   0.00013  -0.00109   0.44473
   D52       -1.66656   0.00001  -0.00108   0.00007  -0.00101  -1.66757
   D53       -2.77147  -0.00003  -0.00168  -0.00061  -0.00230  -2.77377
   D54        0.41099   0.00001  -0.00149  -0.00105  -0.00255   0.40844
   D55       -0.26129  -0.00003  -0.00062  -0.00102  -0.00164  -0.26293
   D56        2.92117   0.00001  -0.00043  -0.00146  -0.00189   2.91928
   D57        2.84464  -0.00004   0.00027  -0.00106  -0.00079   2.84385
   D58        0.38486   0.00000  -0.00058   0.00000  -0.00058   0.38428
   D59       -0.25678   0.00000   0.00046  -0.00149  -0.00103  -0.25781
   D60       -2.71655   0.00003  -0.00039  -0.00043  -0.00082  -2.71737
   D61       -1.43870   0.00004   0.00515   0.00133   0.00648  -1.43222
   D62        2.70276   0.00004   0.00500   0.00180   0.00681   2.70956
   D63        0.64259   0.00003   0.00522   0.00188   0.00710   0.64969
   D64        1.05047   0.00002   0.00595   0.00043   0.00638   1.05685
   D65       -1.09126   0.00002   0.00581   0.00090   0.00671  -1.08455
   D66        3.13176   0.00001   0.00602   0.00098   0.00700   3.13876
   D67       -0.54027  -0.00006  -0.00419  -0.00017  -0.00436  -0.54463
   D68        2.62446  -0.00003  -0.00352   0.00017  -0.00335   2.62111
   D69        1.57652  -0.00005  -0.00381  -0.00036  -0.00417   1.57236
   D70       -1.54194  -0.00003  -0.00314  -0.00002  -0.00316  -1.54509
   D71       -2.59771  -0.00006  -0.00409  -0.00052  -0.00461  -2.60232
   D72        0.56702  -0.00004  -0.00342  -0.00018  -0.00360   0.56341
   D73        1.23889   0.00001  -0.00090  -0.00013  -0.00103   1.23786
   D74       -2.87130  -0.00014  -0.00125  -0.00062  -0.00187  -2.87318
   D75       -0.82912  -0.00003  -0.00117  -0.00062  -0.00179  -0.83090
   D76       -0.89028  -0.00002  -0.00098   0.00016  -0.00081  -0.89109
   D77        1.28271  -0.00017  -0.00133  -0.00032  -0.00166   1.28105
   D78       -2.95829  -0.00006  -0.00125  -0.00032  -0.00157  -2.95986
   D79       -3.00381   0.00001  -0.00097  -0.00004  -0.00101  -3.00482
   D80       -0.83083  -0.00013  -0.00133  -0.00052  -0.00185  -0.83268
   D81        1.21136  -0.00003  -0.00125  -0.00052  -0.00176   1.20960
   D82       -3.14152  -0.00001   0.00078  -0.00068   0.00010  -3.14142
   D83       -0.03337  -0.00008   0.00067  -0.00221  -0.00155  -0.03491
   D84        0.02257   0.00002   0.00143  -0.00034   0.00108   0.02366
   D85        3.13073  -0.00005   0.00131  -0.00188  -0.00057   3.13016
   D86        2.39672  -0.00006   0.00161  -0.00019   0.00142   2.39814
   D87       -1.71634  -0.00018   0.00201  -0.00038   0.00163  -1.71472
   D88        0.34735  -0.00007   0.00170  -0.00025   0.00145   0.34880
   D89       -0.71304   0.00000   0.00172   0.00128   0.00299  -0.71005
   D90        1.45709  -0.00012   0.00211   0.00108   0.00320   1.46028
   D91       -2.76240   0.00000   0.00181   0.00121   0.00302  -2.75939
   D92        1.03637   0.00004   0.00059  -0.00086  -0.00027   1.03610
   D93       -1.11305   0.00004   0.00050  -0.00071  -0.00021  -1.11326
   D94       -3.08830   0.00003   0.00062  -0.00084  -0.00022  -3.08852
   D95       -1.11151  -0.00004  -0.00015  -0.00072  -0.00087  -1.11238
   D96        3.02226  -0.00004  -0.00024  -0.00057  -0.00081   3.02145
   D97        1.04701  -0.00004  -0.00012  -0.00069  -0.00082   1.04619
   D98        3.08165   0.00000   0.00010  -0.00056  -0.00046   3.08119
   D99        0.93223   0.00000   0.00001  -0.00041  -0.00040   0.93183
   D100      -1.04303  -0.00001   0.00013  -0.00054  -0.00041  -1.04343
   D101       1.12324   0.00008  -0.00090  -0.00026  -0.00116   1.12208
   D102      -1.00498   0.00004  -0.00111   0.00007  -0.00104  -1.00602
   D103      -3.01720   0.00010  -0.00093   0.00002  -0.00091  -3.01811
   D104      -3.01316   0.00000  -0.00050  -0.00046  -0.00095  -3.01411
   D105       1.14180  -0.00004  -0.00070  -0.00013  -0.00083   1.14097
   D106      -0.87042   0.00002  -0.00052  -0.00018  -0.00070  -0.87112
   D107      -0.92957  -0.00001  -0.00049  -0.00062  -0.00111  -0.93068
   D108      -3.05780  -0.00006  -0.00069  -0.00029  -0.00098  -3.05878
   D109       1.21316   0.00001  -0.00051  -0.00034  -0.00085   1.21231
   D110      -1.63591  -0.00002  -0.00076  -0.00038  -0.00114  -1.63705
   D111       1.51393  -0.00001  -0.00061  -0.00049  -0.00110   1.51283
   D112       0.50105  -0.00001  -0.00069  -0.00053  -0.00123   0.49982
   D113      -2.63229  -0.00001  -0.00054  -0.00064  -0.00119  -2.63348
   D114       2.50150  -0.00001  -0.00078  -0.00039  -0.00117   2.50032
   D115      -0.63184  -0.00001  -0.00063  -0.00050  -0.00114  -0.63298
   D116       3.13963   0.00000   0.00008  -0.00006   0.00001   3.13964
   D117      -0.01885   0.00000   0.00007  -0.00001   0.00006  -0.01879
   D118      -0.01013   0.00000  -0.00007   0.00005  -0.00002  -0.01016
   D119       3.11458   0.00000  -0.00008   0.00010   0.00002   3.11460
   D120      -3.13914   0.00000  -0.00009   0.00007  -0.00002  -3.13916
   D121       0.01005   0.00000  -0.00006   0.00001  -0.00005   0.01000
   D122       0.01066   0.00000   0.00006  -0.00004   0.00002   0.01068
   D123      -3.12334   0.00000   0.00009  -0.00010  -0.00001  -3.12335
   D124       0.00179   0.00000   0.00004  -0.00002   0.00002   0.00181
   D125       3.13813   0.00000   0.00002   0.00002   0.00004   3.13817
   D126      -3.12300   0.00000   0.00004  -0.00007  -0.00003  -3.12303
   D127       0.01334   0.00000   0.00002  -0.00003  -0.00001   0.01333
   D128       0.00607   0.00000   0.00001  -0.00002  -0.00001   0.00606
   D129       3.14132   0.00000  -0.00005   0.00004  -0.00001   3.14131
   D130      -3.13025   0.00000   0.00003  -0.00006  -0.00003  -3.13028
   D131       0.00500   0.00000  -0.00004   0.00000  -0.00003   0.00497
   D132      -0.00554   0.00000  -0.00002   0.00003   0.00001  -0.00554
   D133       3.13301   0.00000  -0.00006   0.00006   0.00001   3.13302
   D134      -3.14080   0.00000   0.00004  -0.00004   0.00001  -3.14079
   D135      -0.00224   0.00000   0.00001   0.00000   0.00001  -0.00223
   D136      -0.00285   0.00000  -0.00002   0.00000  -0.00001  -0.00287
   D137       3.13118   0.00000  -0.00004   0.00006   0.00002   3.13120
   D138      -3.14141   0.00000   0.00002  -0.00003  -0.00001  -3.14142
   D139      -0.00738   0.00000  -0.00001   0.00002   0.00002  -0.00736
   D140      -1.82539  -0.00018  -0.00125  -0.00379  -0.00504  -1.83043
   D141       2.46808   0.00006  -0.00049  -0.00311  -0.00360   2.46448
   D142       0.25815   0.00003  -0.00063  -0.00320  -0.00383   0.25432
   D143       0.31843  -0.00012  -0.00097  -0.00379  -0.00477   0.31366
   D144      -1.67129   0.00012  -0.00021  -0.00311  -0.00332  -1.67461
   D145       2.40196   0.00009  -0.00035  -0.00320  -0.00355   2.39841
   D146       2.33162  -0.00018  -0.00089  -0.00404  -0.00494   2.32668
   D147       0.34191   0.00006  -0.00013  -0.00336  -0.00350   0.33841
   D148      -1.86803   0.00003  -0.00027  -0.00346  -0.00373  -1.87175
   D149       1.17023   0.00008   0.00224  -0.00041   0.00183   1.17207
   D150      -2.97525  -0.00001   0.00228  -0.00065   0.00163  -2.97362
   D151      -0.94234  -0.00004   0.00199  -0.00072   0.00126  -0.94108
   D152      -0.96606  -0.00004   0.00285   0.00228   0.00513  -0.96093
   D153      -3.12444   0.00009   0.00362   0.00201   0.00563  -3.11881
   D154       1.15866   0.00001   0.00310   0.00207   0.00517   1.16383
   D155      -3.03023   0.00002   0.00361   0.00271   0.00632  -3.02391
   D156       1.09457   0.00015   0.00438   0.00244   0.00682   1.10139
   D157      -0.90551   0.00006   0.00386   0.00250   0.00636  -0.89916
   D158       1.24832  -0.00003   0.00318   0.00241   0.00560   1.25392
   D159      -0.91006   0.00010   0.00395   0.00215   0.00610  -0.90396
   D160      -2.91015   0.00002   0.00343   0.00221   0.00563  -2.90451
   D161       2.99243  -0.00006   0.00604   0.00098   0.00702   2.99945
   D162      -1.14955  -0.00009   0.00611   0.00071   0.00681  -1.14274
   D163       0.85535  -0.00006   0.00636   0.00074   0.00710   0.86245
   D164      -1.16886   0.00011   0.00610   0.00132   0.00742  -1.16144
   D165       0.97234   0.00008   0.00617   0.00105   0.00722   0.97955
   D166       2.97724   0.00010   0.00642   0.00108   0.00750   2.98474
   D167       0.87530   0.00003   0.00633   0.00134   0.00767   0.88297
   D168       3.01650   0.00001   0.00640   0.00107   0.00747   3.02397
   D169      -1.26178   0.00003   0.00665   0.00110   0.00775  -1.25403
   D170       1.13184   0.00015  -0.00154   0.00149  -0.00006   1.13178
   D171      -1.31572   0.00003  -0.00671   0.00159  -0.00511  -1.32083
   D172      -1.02516   0.00014  -0.00143   0.00148   0.00005  -1.02511
   D173       2.81047   0.00002  -0.00659   0.00159  -0.00501   2.80546
   D174      -3.11250   0.00014  -0.00168   0.00136  -0.00032  -3.11282
   D175       0.72312   0.00002  -0.00684   0.00147  -0.00537   0.71775
   D176       1.67778  -0.00002   0.00324   0.00152   0.00476   1.68254
   D177      -1.46725  -0.00001   0.00313   0.00153   0.00466  -1.46259
   D178      -0.46167   0.00002   0.00343   0.00179   0.00522  -0.45645
   D179       2.67649   0.00002   0.00332   0.00180   0.00512   2.68161
   D180      -2.47724   0.00001   0.00293   0.00179   0.00472  -2.47252
   D181       0.66091   0.00002   0.00282   0.00180   0.00462   0.66554
   D182       3.13529   0.00000  -0.00006  -0.00008  -0.00014   3.13515
   D183      -0.01353  -0.00001  -0.00016  -0.00013  -0.00029  -0.01382
   D184      -0.00288   0.00000   0.00005  -0.00009  -0.00004  -0.00292
   D185       3.13148  -0.00001  -0.00005  -0.00014  -0.00019   3.13129
   D186      -3.13507   0.00000   0.00006   0.00006   0.00011  -3.13495
   D187       0.00730   0.00000   0.00007   0.00004   0.00011   0.00742
   D188       0.00309   0.00000  -0.00005   0.00007   0.00002   0.00311
   D189      -3.13772   0.00000  -0.00003   0.00005   0.00001  -3.13771
   D190       0.00036   0.00000  -0.00003   0.00006   0.00003   0.00039
   D191       3.14087   0.00000  -0.00007   0.00004  -0.00003   3.14084
   D192      -3.13395   0.00001   0.00008   0.00010   0.00018  -3.13377
   D193       0.00656   0.00000   0.00004   0.00009   0.00012   0.00668
   D194       0.00194   0.00000   0.00000   0.00001   0.00001   0.00195
   D195      -3.14063   0.00000  -0.00004  -0.00003  -0.00007  -3.14070
   D196      -3.13856   0.00000   0.00004   0.00003   0.00007  -3.13849
   D197       0.00205   0.00000   0.00000  -0.00002  -0.00002   0.00204
   D198      -0.00173   0.00000   0.00000  -0.00004  -0.00004  -0.00177
   D199       3.13970   0.00000   0.00000  -0.00006  -0.00005   3.13964
   D200       3.14084   0.00000   0.00004   0.00001   0.00005   3.14089
   D201      -0.00092   0.00000   0.00004  -0.00001   0.00003  -0.00089
   D202      -0.00079   0.00000   0.00002   0.00000   0.00002  -0.00077
   D203       3.14003   0.00000   0.00001   0.00002   0.00003   3.14005
   D204       3.14097   0.00000   0.00002   0.00002   0.00004   3.14101
   D205      -0.00140   0.00000   0.00001   0.00003   0.00004  -0.00136
   D206       0.56792   0.00002  -0.00387   0.00098  -0.00290   0.56503
   D207      -2.62375  -0.00007  -0.00414   0.00057  -0.00357  -2.62732
   D208       2.99733   0.00009   0.00136   0.00085   0.00220   2.99953
   D209      -0.19434   0.00000   0.00109   0.00044   0.00153  -0.19281
   D210       3.09992   0.00032  -0.00018   0.00047   0.00029   3.10021
   D211      -0.08749   0.00024  -0.00045   0.00010  -0.00035  -0.08784
   D212      -1.15079   0.00032   0.00210   0.00055   0.00265  -1.14814
   D213       3.03330   0.00016   0.00219   0.00053   0.00272   3.03602
   D214       1.00961   0.00009   0.00226   0.00042   0.00268   1.01228
   D215      -2.05096  -0.00010   0.00015  -0.00176  -0.00161  -2.05257
   D216       1.06909  -0.00010   0.00124  -0.00144  -0.00020   1.06889
   D217      -0.09360   0.00000   0.00008  -0.00154  -0.00146  -0.09506
   D218       3.02644   0.00000   0.00117  -0.00122  -0.00005   3.02640
   D219       2.11804   0.00002  -0.00005  -0.00177  -0.00182   2.11622
   D220      -1.04510   0.00002   0.00104  -0.00144  -0.00040  -1.04551
   D221       3.13654   0.00002   0.00106   0.00066   0.00172   3.13826
   D222      -0.01606   0.00005   0.00196   0.00083   0.00279  -0.01327
   D223       0.01477   0.00002   0.00005   0.00036   0.00042   0.01519
   D224      -3.13783   0.00005   0.00095   0.00054   0.00149  -3.13635
   D225       3.13965  -0.00002  -0.00087  -0.00049  -0.00136   3.13829
   D226      -0.01939  -0.00001   0.00001  -0.00023  -0.00022  -0.01961
   D227       0.00085  -0.00002  -0.00012  -0.00033  -0.00045   0.00040
   D228      -3.13084  -0.00005  -0.00093  -0.00048  -0.00141  -3.13225
   D229      -0.01640   0.00001   0.00013   0.00013   0.00026  -0.01614
   D230      -3.11839   0.00003   0.00174  -0.00217  -0.00043  -3.11882
   D231       0.02105   0.00000  -0.00008   0.00006  -0.00003   0.02102
   D232       3.12464  -0.00002  -0.00163   0.00227   0.00064   3.12528
   D233      -0.98901  -0.00002  -0.00030  -0.00001  -0.00031  -0.98933
   D234       1.10454   0.00000  -0.00058   0.00041  -0.00017   1.10437
   D235      -3.07833  -0.00002  -0.00107   0.00072  -0.00035  -3.07869
   D236       3.12664   0.00002   0.00010   0.00041   0.00051   3.12714
   D237      -1.06300   0.00005  -0.00019   0.00083   0.00065  -1.06235
   D238       1.03732   0.00002  -0.00067   0.00114   0.00047   1.03778
   D239       1.05922   0.00000   0.00007   0.00029   0.00037   1.05958
   D240      -3.13042   0.00002  -0.00021   0.00072   0.00051  -3.12991
   D241      -1.03010   0.00000  -0.00069   0.00102   0.00033  -1.02977
   D242       2.96130   0.00002   0.00059   0.00138   0.00197   2.96327
   D243      -1.24827  -0.00003   0.00044   0.00124   0.00168  -1.24658
   D244       0.88127  -0.00003   0.00026   0.00126   0.00152   0.88279
   D245      -1.13149   0.00004   0.00062   0.00115   0.00176  -1.12972
   D246       0.94213   0.00000   0.00048   0.00101   0.00148   0.94361
   D247       3.07167   0.00000   0.00029   0.00103   0.00132   3.07299
   D248       0.93796   0.00000   0.00053   0.00142   0.00195   0.93991
   D249       3.01158  -0.00004   0.00039   0.00128   0.00166   3.01324
   D250      -1.14207  -0.00004   0.00020   0.00130   0.00150  -1.14057
   D251       0.00094   0.00000  -0.00009   0.00032   0.00023   0.00117
   D252       3.13427  -0.00001   0.00028   0.00006   0.00034   3.13461
         Item               Value     Threshold  Converged?
 Maximum Force            0.000759     0.000450     NO 
 RMS     Force            0.000079     0.000300     YES
 Maximum Displacement     0.086897     0.001800     NO 
 RMS     Displacement     0.014966     0.001200     NO 
 Predicted change in Energy=-5.166062D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.768854   -2.048835    0.961795
      2          6           0       -9.315510   -0.998850   -0.057209
      3          6           0      -10.082355    0.317428    0.102224
      4          6           0       -7.842516   -0.762643    0.060292
      5          7           0       -6.937592   -0.993070   -0.860085
      6          6           0       -5.627066   -0.662972   -0.424424
      7          6           0       -4.496393   -0.895480   -1.387091
      8          7           0       -3.899365    0.359451   -1.910989
      9          6           0       -4.778218    1.093178   -2.863799
     10          6           0       -3.076850    1.178972   -1.095553
     11          8           0       -2.886497    2.364225   -1.348027
     12          7           0       -2.426511    0.564014    0.016236
     13          6           0       -1.294186    1.316863    0.602724
     14          6           0       -0.008575    1.071793   -0.215206
     15          8           0        0.227539    0.023703   -0.806399
     16          7           0        0.906106    2.119364   -0.222880
     17          6           0        2.190815    2.024566   -0.969967
     18          6           0        2.470753    3.350905   -1.710669
     19          6           0        2.567143    4.554477   -0.814702
     20          6           0        1.432606    5.347916   -0.580511
     21          6           0        1.518175    6.465743    0.253443
     22          6           0        2.733470    6.802275    0.857765
     23          6           0        3.867279    6.019289    0.618782
     24          6           0        3.787903    4.900546   -0.214826
     25          6           0        3.336139    1.635616   -0.011533
     26          6           0        3.123894    0.235863    0.574707
     27          8           0        2.689480    0.353927    1.946764
     28          6           0        4.411365   -0.628391    0.722108
     29          6           0        5.165400   -0.759619   -0.611194
     30          6           0        6.502448   -1.423494   -0.431024
     31          6           0        6.636504   -2.801022   -0.663344
     32          6           0        7.879017   -3.418629   -0.504166
     33          6           0        8.993282   -2.668528   -0.112748
     34          6           0        8.860345   -1.296565    0.121729
     35          6           0        7.619571   -0.672377   -0.035561
     36          7           0        4.020013   -1.963464    1.274665
     37          6           0        3.206011   -2.793824    0.501827
     38          8           0        3.156044   -2.903525   -0.713770
     39          8           0        2.438171   -3.591121    1.340328
     40          6           0        1.488159   -4.484093    0.674721
     41          6           0        0.443786   -3.701480   -0.014319
     42          6           0       -0.909304   -3.660266    0.186882
     43          7           0       -1.618316   -2.785029   -0.661241
     44          6           0       -0.809851   -2.165040   -1.502262
     45         16           0        0.883331   -2.593328   -1.294692
     46          6           0       -1.113726    0.888889    2.088860
     47          6           0       -0.562205   -0.528854    2.230495
     48          6           0       -0.226453    1.895480    2.827485
     49          6           0       -5.543039   -0.170289    0.846467
     50         16           0       -7.125840   -0.101992    1.556372
     51          1           0      -10.826810   -2.299227    0.819973
     52          1           0       -9.195434   -2.979068    0.860290
     53          1           0       -9.654107   -1.703391    1.995995
     54          1           0       -9.516115   -1.401475   -1.091436
     55          1           0       -9.984174    0.738014    1.110064
     56          1           0       -9.728402    1.076577   -0.606564
     57          1           0      -11.152925    0.170240   -0.083247
     58          1           0       -3.705226   -1.526841   -0.906640
     59          1           0       -4.854515   -1.493933   -2.264272
     60          1           0       -4.848737    0.509650   -3.796400
     61          1           0       -4.342711    2.081694   -3.105389
     62          1           0       -5.794462    1.252234   -2.467341
     63          1           0       -2.285881   -0.456291   -0.002529
     64          1           0       -1.564040    2.414073    0.564574
     65          1           0        0.718381    2.998095    0.255463
     66          1           0        2.076438    1.209615   -1.744444
     67          1           0        1.672964    3.507633   -2.471303
     68          1           0        3.402603    3.239802   -2.304034
     69          1           0        0.484950    5.104023   -1.060663
     70          1           0        0.634863    7.079176    0.428545
     71          1           0        2.798179    7.673295    1.506668
     72          1           0        4.817307    6.283466    1.081690
     73          1           0        4.677820    4.303604   -0.402096
     74          1           0        3.425596    2.370072    0.816433
     75          1           0        4.301475    1.694296   -0.554463
     76          1           0        2.338844   -0.324418    0.002959
     77          1           0        1.781861    0.757853    1.989812
     78          1           0        5.080940   -0.161889    1.496588
     79          1           0        4.546315   -1.332157   -1.345438
     80          1           0        5.292584    0.246961   -1.064338
     81          1           0        5.764552   -3.385685   -0.961517
     82          1           0        7.979397   -4.487646   -0.684530
     83          1           0        9.959777   -3.151756    0.009656
     84          1           0        9.725527   -0.711547    0.428064
     85          1           0        7.524508    0.394176    0.150087
     86          1           0        3.806374   -1.937211    2.282544
     87          1           0        1.109267   -5.063227    1.541608
     88          1           0        2.055216   -5.142196   -0.014754
     89          1           0       -1.481048   -4.228164    0.912733
     90          1           0       -1.121349   -1.428590   -2.237545
     91          1           0       -2.136096    0.917880    2.553196
     92          1           0       -1.192834   -1.268738    1.719464
     93          1           0        0.447440   -0.639853    1.808428
     94          1           0       -0.503692   -0.830849    3.282734
     95          1           0       -0.241992    1.703690    3.909116
     96          1           0        0.829081    1.834425    2.515788
     97          1           0       -0.560506    2.929018    2.685104
     98          1           0       -4.663067    0.151886    1.380185
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0813781      0.0289471      0.0233424
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.6358558336 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258568630638     A.U. after   16 cycles
             Convg  =    0.6529D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001030    0.000002957    0.000008141
      2        6          -0.000016700   -0.000018501   -0.000017967
      3        6          -0.000011108    0.000000055    0.000005698
      4        6           0.000023078   -0.000006270    0.000022657
      5        7          -0.000023637   -0.000041791   -0.000016154
      6        6          -0.000025512    0.000015210   -0.000041975
      7        6          -0.000022816    0.000002409   -0.000013876
      8        7           0.000056440   -0.000053631    0.000078884
      9        6           0.000002196    0.000039048   -0.000006389
     10        6           0.000021243   -0.000020278    0.000011570
     11        8          -0.000051643    0.000027716    0.000044110
     12        7           0.000036904   -0.000119616   -0.000044725
     13        6          -0.000006421   -0.000016242    0.000018594
     14        6           0.000052419    0.000042673   -0.000184250
     15        8           0.000026359   -0.000051289    0.000019457
     16        7          -0.000031626    0.000051799    0.000104586
     17        6           0.000042878   -0.000015578   -0.000054329
     18        6          -0.000012502    0.000049062   -0.000007681
     19        6          -0.000010739   -0.000039582    0.000008163
     20        6           0.000004005   -0.000017628   -0.000009510
     21        6          -0.000001631    0.000005986    0.000002234
     22        6          -0.000004581    0.000002792    0.000003101
     23        6           0.000004948    0.000002899   -0.000001811
     24        6           0.000008143    0.000004462    0.000000798
     25        6          -0.000022508   -0.000066000   -0.000073600
     26        6           0.000044468    0.000005002    0.000114554
     27        8          -0.000083635   -0.000048798   -0.000030319
     28        6           0.000114925    0.000040145    0.000022453
     29        6           0.000049076    0.000028257   -0.000006329
     30        6          -0.000035441   -0.000022458   -0.000007468
     31        6          -0.000000549    0.000003106   -0.000017368
     32        6          -0.000006450   -0.000002776    0.000000674
     33        6           0.000008697    0.000006900    0.000000118
     34        6           0.000012106    0.000005962   -0.000003190
     35        6           0.000001310   -0.000001579    0.000011826
     36        7          -0.000073068   -0.000009771   -0.000039177
     37        6          -0.000063578    0.000059021   -0.000192259
     38        8           0.000034335   -0.000070730    0.000085299
     39        8           0.000097800    0.000052400    0.000113161
     40        6          -0.000032539   -0.000108594    0.000077704
     41        6          -0.000009472    0.000016859   -0.000152600
     42        6           0.000001310    0.000048992    0.000038699
     43        7          -0.000042943   -0.000020475   -0.000028278
     44        6          -0.000063777    0.000058044   -0.000009832
     45       16           0.000067713   -0.000013718    0.000119605
     46        6           0.000032807    0.000044646   -0.000048884
     47        6          -0.000095411   -0.000040694    0.000006930
     48        6          -0.000023020   -0.000009671    0.000030520
     49        6           0.000046171    0.000014507    0.000030155
     50       16          -0.000047684    0.000027601   -0.000038645
     51        1          -0.000002162    0.000007331   -0.000000362
     52        1          -0.000001210   -0.000006304    0.000001613
     53        1           0.000004464   -0.000001498   -0.000005644
     54        1           0.000003542    0.000002411   -0.000003242
     55        1           0.000003945    0.000000658    0.000000218
     56        1          -0.000001178    0.000000593    0.000000896
     57        1           0.000008182    0.000002098    0.000002717
     58        1           0.000014956   -0.000009882   -0.000001564
     59        1          -0.000003485    0.000016600    0.000008797
     60        1           0.000016712    0.000001844    0.000011464
     61        1          -0.000008214   -0.000001438   -0.000023571
     62        1          -0.000008112   -0.000015068    0.000005860
     63        1          -0.000042365    0.000038986    0.000026546
     64        1          -0.000001531    0.000066734    0.000031776
     65        1          -0.000000083    0.000002133    0.000006868
     66        1          -0.000019088    0.000025933    0.000016817
     67        1           0.000000852    0.000000016   -0.000009266
     68        1           0.000011747   -0.000011583   -0.000003760
     69        1           0.000002980    0.000004279   -0.000000119
     70        1          -0.000002976   -0.000000684   -0.000002808
     71        1           0.000000770    0.000001822   -0.000001546
     72        1           0.000001183    0.000002837    0.000000940
     73        1           0.000002295    0.000000655   -0.000000327
     74        1           0.000013663    0.000053978   -0.000001445
     75        1           0.000019226   -0.000011098    0.000005521
     76        1          -0.000024536    0.000015645    0.000004583
     77        1          -0.000043324    0.000004743    0.000040791
     78        1           0.000002371   -0.000015298    0.000037339
     79        1          -0.000001100    0.000013261    0.000013538
     80        1          -0.000030548   -0.000001225   -0.000002957
     81        1           0.000011213    0.000002677    0.000010083
     82        1           0.000002213   -0.000002581   -0.000002956
     83        1          -0.000000235   -0.000000992   -0.000000329
     84        1           0.000000037    0.000001970    0.000001528
     85        1           0.000001684    0.000006774    0.000003945
     86        1           0.000027044   -0.000032417    0.000021795
     87        1          -0.000036759    0.000000179   -0.000089057
     88        1           0.000004151    0.000035165   -0.000007703
     89        1           0.000002324   -0.000041929    0.000006737
     90        1           0.000009352   -0.000044307    0.000004630
     91        1           0.000017989    0.000013574    0.000013474
     92        1           0.000016447    0.000041577    0.000000280
     93        1           0.000079780   -0.000028699   -0.000043652
     94        1           0.000059074   -0.000009984   -0.000005740
     95        1          -0.000007009   -0.000010800    0.000001746
     96        1          -0.000044726    0.000033230    0.000004237
     97        1          -0.000021534    0.000012110    0.000004725
     98        1          -0.000007336   -0.000006863   -0.000016492
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000192259 RMS     0.000037961

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000310938 RMS     0.000040512
 Search for a local minimum.
 Step number  81 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   70   73   72   74   75
                                                     76   77   78   79   80
                                                     81
 DE= -8.93D-06 DEPred=-5.17D-06 R= 1.73D+00
 SS=  1.41D+00  RLast= 5.97D-02 DXNew= 5.6361D-01 1.7902D-01
 Trust test= 1.73D+00 RLast= 5.97D-02 DXMaxT set to 3.35D-01
     Eigenvalues ---    0.00076   0.00106   0.00187   0.00225   0.00226
     Eigenvalues ---    0.00282   0.00349   0.00412   0.00532   0.00602
     Eigenvalues ---    0.00665   0.00694   0.00768   0.00810   0.00895
     Eigenvalues ---    0.00904   0.00985   0.01065   0.01178   0.01243
     Eigenvalues ---    0.01301   0.01407   0.01422   0.01456   0.01479
     Eigenvalues ---    0.01602   0.01618   0.01703   0.01739   0.01758
     Eigenvalues ---    0.01928   0.02016   0.02109   0.02194   0.02203
     Eigenvalues ---    0.02209   0.02221   0.02257   0.02267   0.02268
     Eigenvalues ---    0.02291   0.02330   0.02372   0.02404   0.02409
     Eigenvalues ---    0.02415   0.02446   0.02482   0.02485   0.02497
     Eigenvalues ---    0.02527   0.02528   0.02563   0.02651   0.02700
     Eigenvalues ---    0.02920   0.02945   0.03350   0.03883   0.04007
     Eigenvalues ---    0.04085   0.04158   0.04188   0.04320   0.04459
     Eigenvalues ---    0.04597   0.04734   0.04946   0.04968   0.05087
     Eigenvalues ---    0.05176   0.05215   0.05268   0.05377   0.05406
     Eigenvalues ---    0.05453   0.05508   0.05529   0.05580   0.05640
     Eigenvalues ---    0.05722   0.05741   0.05818   0.05854   0.05897
     Eigenvalues ---    0.05982   0.06024   0.06138   0.06218   0.06292
     Eigenvalues ---    0.06517   0.06745   0.06891   0.07089   0.07132
     Eigenvalues ---    0.07536   0.08248   0.08420   0.08608   0.08781
     Eigenvalues ---    0.09347   0.09614   0.09884   0.10339   0.11511
     Eigenvalues ---    0.12097   0.12907   0.13130   0.13238   0.13443
     Eigenvalues ---    0.13838   0.14089   0.14579   0.15534   0.15644
     Eigenvalues ---    0.15715   0.15856   0.15943   0.15978   0.15981
     Eigenvalues ---    0.15986   0.15993   0.15995   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16001   0.16004   0.16005   0.16013   0.16021
     Eigenvalues ---    0.16050   0.16079   0.16095   0.16121   0.16162
     Eigenvalues ---    0.16246   0.16485   0.16843   0.16886   0.17261
     Eigenvalues ---    0.17768   0.17969   0.18259   0.18806   0.19150
     Eigenvalues ---    0.19698   0.20230   0.20608   0.20940   0.21797
     Eigenvalues ---    0.21867   0.22000   0.22000   0.22003   0.22043
     Eigenvalues ---    0.22227   0.22423   0.22662   0.23078   0.23447
     Eigenvalues ---    0.23494   0.23558   0.23696   0.24006   0.24320
     Eigenvalues ---    0.24404   0.24639   0.24873   0.24974   0.25093
     Eigenvalues ---    0.25237   0.25432   0.25591   0.26125   0.27185
     Eigenvalues ---    0.28098   0.29394   0.29778   0.29932   0.29959
     Eigenvalues ---    0.30056   0.30170   0.30308   0.30456   0.30672
     Eigenvalues ---    0.30719   0.30841   0.31328   0.31427   0.31439
     Eigenvalues ---    0.31487   0.31502   0.31652   0.31698   0.31900
     Eigenvalues ---    0.31969   0.32151   0.32342   0.32405   0.32494
     Eigenvalues ---    0.32611   0.32668   0.32773   0.32839   0.32884
     Eigenvalues ---    0.33006   0.33033   0.33060   0.33148   0.33189
     Eigenvalues ---    0.33258   0.33271   0.33512   0.33544   0.33676
     Eigenvalues ---    0.33740   0.33778   0.33944   0.33972   0.34022
     Eigenvalues ---    0.34097   0.34227   0.34263   0.34309   0.34326
     Eigenvalues ---    0.34480   0.34535   0.34686   0.34740   0.35320
     Eigenvalues ---    0.35858   0.36249   0.36313   0.36373   0.36472
     Eigenvalues ---    0.36635   0.36850   0.36934   0.37083   0.37524
     Eigenvalues ---    0.38348   0.38606   0.39253   0.40232   0.40914
     Eigenvalues ---    0.41380   0.41742   0.42493   0.42885   0.43163
     Eigenvalues ---    0.43363   0.43600   0.44377   0.45195   0.45911
     Eigenvalues ---    0.46231   0.47528   0.47676   0.48277   0.48390
     Eigenvalues ---    0.48638   0.48869   0.49231   0.49303   0.50289
     Eigenvalues ---    0.50924   0.51159   0.51291   0.51456   0.55847
     Eigenvalues ---    0.56444   0.58779   0.59887   0.62312   0.63946
     Eigenvalues ---    0.66275   0.68470   0.77922   0.79095   0.85038
     Eigenvalues ---    1.45943   1.88391   4.145941000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    81   80   79   78   77
 RFO step:  Lambda=-1.20560736D-06.
 DIIS coeffs:      1.42489     -0.43639     -0.03726     -0.01192      0.06069
 Iteration  1 RMS(Cart)=  0.00749366 RMS(Int)=  0.00000858
 Iteration  2 RMS(Cart)=  0.00002951 RMS(Int)=  0.00000016
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000016
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89465   0.00000   0.00005   0.00001   0.00005   2.89470
    R2        2.07188   0.00000  -0.00002   0.00001   0.00000   2.07188
    R3        2.07392   0.00000   0.00001   0.00000   0.00000   2.07392
    R4        2.07187   0.00000   0.00001  -0.00002  -0.00001   2.07187
    R5        2.89446  -0.00001  -0.00003  -0.00001  -0.00004   2.89442
    R6        2.82785  -0.00002   0.00001  -0.00006  -0.00005   2.82779
    R7        2.13127   0.00000   0.00001   0.00000   0.00001   2.13127
    R8        2.07205   0.00000   0.00000  -0.00001  -0.00001   2.07205
    R9        2.07351   0.00000   0.00000  -0.00001  -0.00001   2.07351
   R10        2.07197   0.00001   0.00002   0.00000   0.00003   2.07200
   R11        2.47769   0.00000   0.00001  -0.00002  -0.00002   2.47767
   R12        3.37428  -0.00003   0.00000   0.00001   0.00001   3.37429
   R13        2.68331  -0.00004   0.00001  -0.00006  -0.00005   2.68325
   R14        2.84038  -0.00007   0.00007  -0.00025  -0.00018   2.84021
   R15        2.58068  -0.00001  -0.00001  -0.00001  -0.00002   2.58066
   R16        2.80658  -0.00007  -0.00014  -0.00007  -0.00021   2.80637
   R17        2.11733  -0.00001   0.00014  -0.00007   0.00007   2.11741
   R18        2.11771   0.00001   0.00016  -0.00009   0.00006   2.11777
   R19        2.81473   0.00002   0.00001  -0.00005  -0.00004   2.81469
   R20        2.68120  -0.00003  -0.00005  -0.00013  -0.00017   2.68103
   R21        2.08318  -0.00001   0.00003  -0.00004  -0.00001   2.08317
   R22        2.09171   0.00002   0.00003   0.00001   0.00004   2.09176
   R23        2.08318  -0.00001  -0.00003  -0.00001  -0.00005   2.08314
   R24        2.31813  -0.00006   0.00004  -0.00005  -0.00001   2.31812
   R25        2.69721  -0.00006  -0.00012   0.00010  -0.00001   2.69720
   R26        2.79840  -0.00011   0.00000  -0.00002  -0.00002   2.79838
   R27        1.94665   0.00006   0.00001   0.00012   0.00013   1.94678
   R28        2.91647  -0.00001   0.00004   0.00002   0.00006   2.91653
   R29        2.94235  -0.00005   0.00005  -0.00008  -0.00003   2.94232
   R30        2.13643  -0.00006  -0.00007  -0.00012  -0.00019   2.13624
   R31        2.31733  -0.00006  -0.00004   0.00005   0.00002   2.31734
   R32        2.62808  -0.00005  -0.00009  -0.00019  -0.00028   2.62780
   R33        2.81411   0.00001  -0.00006  -0.00001  -0.00006   2.81404
   R34        1.92364   0.00000   0.00000   0.00002   0.00002   1.92366
   R35        2.91911   0.00002  -0.00006   0.00025   0.00019   2.91930
   R36        2.91633   0.00010   0.00000  -0.00004  -0.00003   2.91630
   R37        2.13551   0.00003   0.00009   0.00001   0.00009   2.13560
   R38        2.84128   0.00003   0.00001   0.00006   0.00007   2.84135
   R39        2.10397   0.00001  -0.00001   0.00003   0.00002   2.10399
   R40        2.09817  -0.00001   0.00001  -0.00004  -0.00003   2.09814
   R41        2.65341   0.00001   0.00000   0.00000   0.00001   2.65342
   R42        2.65227  -0.00001   0.00002  -0.00002   0.00000   2.65227
   R43        2.64044  -0.00001   0.00001  -0.00001   0.00000   2.64044
   R44        2.05979   0.00001   0.00001   0.00002   0.00003   2.05981
   R45        2.64251   0.00000   0.00000  -0.00001  -0.00002   2.64249
   R46        2.05902   0.00000   0.00000   0.00000  -0.00001   2.05902
   R47        2.64271  -0.00001   0.00002  -0.00001   0.00000   2.64272
   R48        2.05619   0.00000   0.00000  -0.00001  -0.00001   2.05618
   R49        2.64074  -0.00001   0.00000  -0.00003  -0.00003   2.64072
   R50        2.05852   0.00000  -0.00001  -0.00001  -0.00001   2.05851
   R51        2.05569   0.00000   0.00000   0.00000   0.00000   2.05569
   R52        2.89568   0.00010   0.00009   0.00013   0.00023   2.89591
   R53        2.09833  -0.00005  -0.00016   0.00007  -0.00010   2.09823
   R54        2.09588  -0.00002   0.00000  -0.00002  -0.00002   2.09587
   R55        2.72880  -0.00003  -0.00004  -0.00009  -0.00013   2.72867
   R56        2.94351  -0.00005   0.00005   0.00000   0.00005   2.94356
   R57        2.11878   0.00000   0.00003  -0.00011  -0.00008   2.11870
   R58        1.87910  -0.00005  -0.00022  -0.00006  -0.00029   1.87881
   R59        2.90519   0.00000   0.00001   0.00005   0.00007   2.90526
   R60        2.82885  -0.00008  -0.00005  -0.00010  -0.00014   2.82871
   R61        2.12607   0.00002   0.00001   0.00003   0.00004   2.12611
   R62        2.84144   0.00000  -0.00001   0.00005   0.00004   2.84147
   R63        2.11293   0.00001   0.00003  -0.00001   0.00002   2.11295
   R64        2.09983   0.00000   0.00003   0.00000   0.00002   2.09985
   R65        2.65204  -0.00001  -0.00001   0.00000   0.00000   2.65203
   R66        2.65137  -0.00002   0.00000  -0.00004  -0.00003   2.65134
   R67        2.63927  -0.00001   0.00000  -0.00002  -0.00002   2.63925
   R68        2.06235   0.00001   0.00006   0.00002   0.00008   2.06243
   R69        2.64389  -0.00001   0.00002  -0.00002   0.00000   2.64389
   R70        2.05746   0.00000   0.00000  -0.00001  -0.00001   2.05745
   R71        2.64219   0.00000   0.00001  -0.00001   0.00000   2.64219
   R72        2.05503   0.00000   0.00000  -0.00001  -0.00001   2.05503
   R73        2.64148  -0.00001   0.00000  -0.00001  -0.00001   2.64147
   R74        2.05679   0.00000   0.00000   0.00000   0.00000   2.05679
   R75        2.05367  -0.00001   0.00001  -0.00001  -0.00001   2.05366
   R76        2.63844  -0.00003  -0.00017   0.00003  -0.00014   2.63830
   R77        1.94757   0.00004  -0.00020   0.00005  -0.00015   1.94741
   R78        2.30841  -0.00011   0.00002  -0.00004  -0.00002   2.30839
   R79        2.62416   0.00006   0.00014   0.00005   0.00019   2.62436
   R80        2.76634  -0.00010  -0.00013  -0.00003  -0.00016   2.76618
   R81        2.78885  -0.00001   0.00001   0.00003   0.00004   2.78889
   R82        2.09619  -0.00010  -0.00001  -0.00007  -0.00008   2.09610
   R83        2.09583   0.00002   0.00003   0.00003   0.00006   2.09589
   R84        2.58626  -0.00002  -0.00012   0.00007  -0.00005   2.58621
   R85        3.30597  -0.00011   0.00017  -0.00017   0.00000   3.30597
   R86        2.66448   0.00001   0.00005   0.00000   0.00005   2.66453
   R87        2.04951   0.00000   0.00007  -0.00003   0.00004   2.04955
   R88        2.49653  -0.00001  -0.00007   0.00003  -0.00004   2.49649
   R89        3.32365  -0.00007   0.00008  -0.00011  -0.00003   3.32362
   R90        2.05279   0.00000   0.00002  -0.00001   0.00001   2.05280
   R91        2.88716  -0.00008   0.00005  -0.00012  -0.00007   2.88709
   R92        2.89446   0.00000   0.00004   0.00008   0.00011   2.89457
   R93        2.12263   0.00002  -0.00003  -0.00001  -0.00004   2.12259
   R94        2.07549   0.00004   0.00011  -0.00002   0.00009   2.07559
   R95        2.07856  -0.00006  -0.00018  -0.00006  -0.00024   2.07832
   R96        2.07167   0.00000  -0.00004   0.00003  -0.00001   2.07166
   R97        2.07608   0.00001  -0.00001  -0.00002  -0.00002   2.07606
   R98        2.08302   0.00004   0.00029  -0.00006   0.00023   2.08325
   R99        2.07015  -0.00002  -0.00008  -0.00002  -0.00010   2.07005
   R100       3.28067  -0.00004  -0.00003  -0.00007  -0.00010   3.28057
   R101       2.03793   0.00001  -0.00001   0.00001   0.00000   2.03793
    A1        1.93486   0.00000  -0.00002   0.00003   0.00001   1.93487
    A2        1.94426   0.00000   0.00004   0.00000   0.00004   1.94430
    A3        1.96120  -0.00001  -0.00007  -0.00001  -0.00008   1.96112
    A4        1.87406   0.00000  -0.00003  -0.00001  -0.00004   1.87401
    A5        1.87021   0.00000   0.00007  -0.00001   0.00006   1.87027
    A6        1.87509   0.00000   0.00001   0.00001   0.00002   1.87511
    A7        1.95158  -0.00001  -0.00004  -0.00001  -0.00006   1.95152
    A8        1.92547  -0.00001  -0.00021   0.00004  -0.00017   1.92530
    A9        1.88882   0.00000   0.00007  -0.00004   0.00003   1.88885
   A10        1.92729   0.00001   0.00025  -0.00001   0.00024   1.92753
   A11        1.88935   0.00000  -0.00005   0.00003  -0.00002   1.88933
   A12        1.87910   0.00000  -0.00002  -0.00001  -0.00003   1.87906
   A13        1.96111   0.00000   0.00008  -0.00002   0.00006   1.96117
   A14        1.94531   0.00000   0.00001   0.00002   0.00002   1.94534
   A15        1.93464   0.00000  -0.00002   0.00000  -0.00003   1.93462
   A16        1.87494   0.00000   0.00003   0.00000   0.00003   1.87497
   A17        1.86963   0.00000  -0.00008   0.00001  -0.00007   1.86956
   A18        1.87400   0.00000  -0.00001  -0.00001  -0.00002   1.87398
   A19        2.20995  -0.00001   0.00007  -0.00004   0.00003   2.20998
   A20        2.11679   0.00002  -0.00002   0.00003   0.00002   2.11681
   A21        1.95645  -0.00002  -0.00005   0.00000  -0.00005   1.95640
   A22        1.96142   0.00001   0.00007  -0.00004   0.00002   1.96145
   A23        2.05083  -0.00002  -0.00022   0.00007  -0.00015   2.05068
   A24        2.01107   0.00000  -0.00006   0.00006   0.00000   2.01107
   A25        2.22126   0.00001   0.00028  -0.00013   0.00015   2.22141
   A26        1.97971  -0.00009  -0.00003  -0.00028  -0.00031   1.97940
   A27        1.92166   0.00003  -0.00017   0.00017   0.00000   1.92165
   A28        1.92148   0.00001   0.00010  -0.00010   0.00000   1.92148
   A29        1.92148   0.00003   0.00020   0.00016   0.00036   1.92184
   A30        1.87925   0.00003   0.00013  -0.00002   0.00011   1.87936
   A31        1.83421  -0.00001  -0.00023   0.00009  -0.00014   1.83407
   A32        1.98744  -0.00004   0.00004   0.00008   0.00012   1.98756
   A33        2.11573   0.00001   0.00016   0.00020   0.00036   2.11609
   A34        2.00994   0.00003   0.00001   0.00024   0.00024   2.01018
   A35        1.89459   0.00001   0.00002   0.00009   0.00011   1.89470
   A36        1.92558   0.00001   0.00003  -0.00004  -0.00001   1.92558
   A37        1.96595  -0.00002  -0.00003  -0.00014  -0.00017   1.96578
   A38        1.88941   0.00000  -0.00012   0.00008  -0.00003   1.88938
   A39        1.89828   0.00000   0.00011  -0.00007   0.00005   1.89832
   A40        1.88846   0.00000  -0.00003   0.00008   0.00005   1.88851
   A41        2.12911   0.00003  -0.00014   0.00009  -0.00004   2.12907
   A42        2.05213   0.00001   0.00017  -0.00007   0.00010   2.05223
   A43        2.10123  -0.00004  -0.00003  -0.00003  -0.00006   2.10117
   A44        2.02402  -0.00006   0.00000  -0.00033  -0.00033   2.02369
   A45        2.06549   0.00002  -0.00002  -0.00034  -0.00036   2.06513
   A46        1.98928   0.00003  -0.00014  -0.00019  -0.00032   1.98895
   A47        1.92446   0.00006  -0.00014   0.00002  -0.00012   1.92433
   A48        1.90382  -0.00005   0.00019  -0.00008   0.00011   1.90393
   A49        1.87289  -0.00002   0.00004  -0.00025  -0.00022   1.87267
   A50        1.94513   0.00000  -0.00014   0.00014   0.00000   1.94514
   A51        1.91246  -0.00003   0.00026  -0.00005   0.00022   1.91268
   A52        1.90354   0.00004  -0.00021   0.00021   0.00000   1.90354
   A53        2.15510   0.00006  -0.00002  -0.00008  -0.00010   2.15499
   A54        2.01660  -0.00015   0.00004   0.00002   0.00006   2.01666
   A55        2.11123   0.00008  -0.00003   0.00006   0.00002   2.11125
   A56        2.12025   0.00019  -0.00007   0.00004  -0.00003   2.12022
   A57        2.12511  -0.00010   0.00006  -0.00006   0.00000   2.12511
   A58        2.03733  -0.00009   0.00000   0.00002   0.00002   2.03735
   A59        1.92010  -0.00003  -0.00005   0.00013   0.00008   1.92018
   A60        1.92275   0.00009   0.00019  -0.00019   0.00001   1.92275
   A61        1.87802  -0.00001  -0.00007   0.00004  -0.00003   1.87799
   A62        1.96027  -0.00010   0.00001   0.00010   0.00011   1.96038
   A63        1.88485   0.00002   0.00006  -0.00004   0.00002   1.88487
   A64        1.89546   0.00003  -0.00015  -0.00004  -0.00019   1.89526
   A65        1.99676   0.00000  -0.00006   0.00015   0.00009   1.99685
   A66        1.89505   0.00001  -0.00004   0.00001  -0.00002   1.89502
   A67        1.89909   0.00000   0.00004   0.00005   0.00009   1.89919
   A68        1.91810   0.00000   0.00002  -0.00003  -0.00001   1.91809
   A69        1.92278  -0.00001   0.00002  -0.00014  -0.00013   1.92265
   A70        1.82386   0.00000   0.00003  -0.00005  -0.00003   1.82383
   A71        2.09431   0.00000  -0.00002  -0.00001  -0.00003   2.09429
   A72        2.10347   0.00000   0.00004   0.00000   0.00005   2.10351
   A73        2.08538   0.00000  -0.00003   0.00001  -0.00002   2.08536
   A74        2.09686   0.00000   0.00002  -0.00001   0.00001   2.09687
   A75        2.09738   0.00000  -0.00001   0.00001   0.00000   2.09738
   A76        2.08883   0.00000  -0.00001   0.00000  -0.00001   2.08882
   A77        2.09867   0.00000   0.00000   0.00000  -0.00001   2.09866
   A78        2.09056   0.00000  -0.00001   0.00000  -0.00001   2.09055
   A79        2.09395   0.00000   0.00001   0.00001   0.00002   2.09397
   A80        2.08980   0.00000  -0.00001   0.00000   0.00000   2.08980
   A81        2.09678   0.00000   0.00000   0.00000   0.00001   2.09679
   A82        2.09658   0.00000   0.00000  -0.00001   0.00000   2.09658
   A83        2.09916   0.00000   0.00000   0.00001   0.00000   2.09917
   A84        2.09287   0.00000  -0.00001   0.00000  -0.00001   2.09286
   A85        2.09115   0.00000   0.00001  -0.00001   0.00000   2.09115
   A86        2.09644   0.00000   0.00002   0.00000   0.00001   2.09645
   A87        2.09747   0.00000  -0.00001  -0.00001  -0.00001   2.09746
   A88        2.08925   0.00000  -0.00001   0.00001   0.00000   2.08926
   A89        1.94446   0.00031   0.00016   0.00002   0.00017   1.94464
   A90        1.93497  -0.00009   0.00008  -0.00004   0.00004   1.93500
   A91        1.90562  -0.00010  -0.00010  -0.00003  -0.00013   1.90549
   A92        1.90720  -0.00009  -0.00026  -0.00004  -0.00030   1.90691
   A93        1.93496  -0.00009   0.00017  -0.00005   0.00013   1.93509
   A94        1.83372   0.00005  -0.00006   0.00014   0.00008   1.83380
   A95        1.90763   0.00007  -0.00040   0.00012  -0.00028   1.90734
   A96        2.01370  -0.00004   0.00021  -0.00001   0.00020   2.01389
   A97        1.93731   0.00001   0.00014  -0.00014   0.00000   1.93732
   A98        1.77635  -0.00010  -0.00030   0.00001  -0.00029   1.77606
   A99        1.89098   0.00004   0.00060   0.00013   0.00073   1.89171
   A100       1.92808   0.00002  -0.00025  -0.00008  -0.00033   1.92775
   A101       1.92723   0.00005   0.00020  -0.00016   0.00005   1.92728
   A102       1.95055   0.00001  -0.00017   0.00011  -0.00006   1.95049
   A103       1.88987   0.00006   0.00037  -0.00021   0.00016   1.89003
   A104       1.90392  -0.00003  -0.00021   0.00007  -0.00014   1.90378
   A105       1.95220  -0.00008  -0.00025  -0.00004  -0.00029   1.95191
   A106       1.91825   0.00004   0.00023   0.00009   0.00032   1.91857
   A107       1.84553   0.00000   0.00004  -0.00003   0.00002   1.84555
   A108       1.94970   0.00001   0.00013   0.00002   0.00016   1.94986
   A109       1.91948  -0.00001  -0.00016   0.00000  -0.00016   1.91932
   A110       1.90974   0.00002   0.00004   0.00005   0.00008   1.90982
   A111       1.92298  -0.00001  -0.00011  -0.00005  -0.00016   1.92283
   A112       1.92521  -0.00002  -0.00006  -0.00012  -0.00018   1.92503
   A113       1.83323   0.00001   0.00016   0.00010   0.00026   1.83349
   A114       2.09264  -0.00003  -0.00010  -0.00003  -0.00013   2.09251
   A115       2.10066   0.00002   0.00008   0.00001   0.00009   2.10075
   A116       2.08988   0.00001   0.00002   0.00002   0.00004   2.08992
   A117       2.09459   0.00000   0.00001  -0.00001   0.00000   2.09459
   A118       2.08835   0.00000  -0.00005  -0.00001  -0.00005   2.08830
   A119       2.10022   0.00001   0.00004   0.00002   0.00006   2.10027
   A120       2.09825  -0.00001  -0.00002  -0.00001  -0.00003   2.09822
   A121       2.09131   0.00000   0.00002   0.00000   0.00002   2.09134
   A122       2.09362   0.00000   0.00000   0.00001   0.00001   2.09363
   A123       2.09125   0.00000   0.00001   0.00001   0.00002   2.09127
   A124       2.09564   0.00000  -0.00002   0.00000  -0.00002   2.09562
   A125       2.09630   0.00000   0.00001  -0.00001   0.00000   2.09630
   A126       2.09867   0.00000   0.00001   0.00001   0.00001   2.09868
   A127       2.09329   0.00000   0.00001  -0.00001   0.00000   2.09329
   A128       2.09123   0.00000  -0.00002   0.00000  -0.00002   2.09121
   A129       2.09373  -0.00001  -0.00002  -0.00002  -0.00004   2.09369
   A130       2.09890   0.00000  -0.00001   0.00001   0.00000   2.09890
   A131       2.09056   0.00001   0.00004   0.00001   0.00005   2.09060
   A132       2.06975  -0.00014   0.00024  -0.00017   0.00007   2.06982
   A133       1.97409   0.00003   0.00043   0.00002   0.00045   1.97454
   A134       2.02152   0.00010   0.00057   0.00013   0.00070   2.02222
   A135       2.24989  -0.00005  -0.00025   0.00001  -0.00023   2.24965
   A136       1.90668   0.00012   0.00034   0.00001   0.00035   1.90702
   A137       2.12551  -0.00007  -0.00011  -0.00001  -0.00012   2.12539
   A138       2.02031  -0.00031  -0.00048   0.00000  -0.00048   2.01983
   A139       1.92630  -0.00010   0.00007   0.00022   0.00029   1.92658
   A140       1.75667   0.00004   0.00012  -0.00005   0.00007   1.75674
   A141       1.88896   0.00005   0.00006   0.00003   0.00009   1.88905
   A142       1.98234   0.00006  -0.00009   0.00003  -0.00006   1.98228
   A143       1.96735  -0.00004  -0.00013  -0.00013  -0.00026   1.96709
   A144       1.92909  -0.00001   0.00000  -0.00008  -0.00008   1.92902
   A145       2.27442   0.00005   0.00014  -0.00008   0.00007   2.27449
   A146       2.09418  -0.00008  -0.00011   0.00004  -0.00007   2.09411
   A147       1.91444   0.00003  -0.00003   0.00004   0.00000   1.91445
   A148       2.01243  -0.00005   0.00005  -0.00006  -0.00001   2.01242
   A149       2.21908   0.00002   0.00001   0.00000   0.00001   2.21909
   A150       2.05163   0.00003  -0.00005   0.00007   0.00001   2.05164
   A151       1.94605   0.00002   0.00001  -0.00001   0.00000   1.94605
   A152       1.98201  -0.00002   0.00000   0.00001   0.00000   1.98201
   A153       2.18166   0.00001   0.00000  -0.00002  -0.00003   2.18164
   A154       2.11885   0.00001   0.00001  -0.00003  -0.00003   2.11882
   A155       1.56954   0.00002  -0.00002   0.00002   0.00000   1.56954
   A156       1.96642   0.00001   0.00024  -0.00017   0.00006   1.96648
   A157       1.92493   0.00005  -0.00018   0.00021   0.00003   1.92496
   A158       1.85665  -0.00002   0.00005   0.00007   0.00013   1.85678
   A159       1.93480  -0.00008  -0.00034  -0.00028  -0.00062   1.93417
   A160       1.89040   0.00001   0.00012   0.00000   0.00012   1.89052
   A161       1.88698   0.00004   0.00013   0.00020   0.00034   1.88732
   A162       1.95489   0.00002   0.00018  -0.00001   0.00017   1.95506
   A163       1.97081  -0.00009  -0.00015  -0.00044  -0.00059   1.97022
   A164       1.94322  -0.00005  -0.00015  -0.00009  -0.00024   1.94298
   A165       1.85514   0.00004   0.00005   0.00005   0.00010   1.85524
   A166       1.86677   0.00001  -0.00009   0.00021   0.00012   1.86689
   A167       1.86660   0.00008   0.00017   0.00033   0.00049   1.86710
   A168       1.93035   0.00002   0.00003   0.00012   0.00015   1.93050
   A169       1.96270  -0.00006  -0.00034  -0.00005  -0.00039   1.96231
   A170       1.96135   0.00001   0.00013   0.00000   0.00014   1.96149
   A171       1.85696   0.00001   0.00002   0.00007   0.00009   1.85706
   A172       1.86330   0.00000   0.00009  -0.00001   0.00008   1.86338
   A173       1.88337   0.00002   0.00008  -0.00013  -0.00005   1.88332
   A174       1.91627  -0.00001   0.00004  -0.00004   0.00000   1.91627
   A175       2.23770  -0.00001   0.00005  -0.00007  -0.00002   2.23768
   A176       2.12918   0.00001  -0.00009   0.00011   0.00002   2.12920
   A177       1.57956   0.00001   0.00001   0.00001   0.00002   1.57958
    D1        1.08415   0.00000   0.00190  -0.00013   0.00176   1.08591
    D2       -3.04693   0.00001   0.00204  -0.00013   0.00192  -3.04501
    D3       -0.99524   0.00000   0.00194  -0.00014   0.00180  -0.99344
    D4       -3.11322   0.00000   0.00187  -0.00013   0.00174  -3.11148
    D5       -0.96111   0.00001   0.00202  -0.00013   0.00189  -0.95921
    D6        1.09058   0.00000   0.00192  -0.00014   0.00178   1.09236
    D7       -1.00811   0.00000   0.00187  -0.00013   0.00174  -1.00637
    D8        1.14400   0.00001   0.00201  -0.00012   0.00189   1.14589
    D9       -3.08750   0.00000   0.00191  -0.00014   0.00177  -3.08572
   D10        1.00061   0.00000   0.00046  -0.00061  -0.00015   1.00046
   D11        3.10620   0.00000   0.00056  -0.00061  -0.00005   3.10615
   D12       -1.09069   0.00000   0.00053  -0.00062  -0.00008  -1.09077
   D13       -1.15047   0.00000   0.00058  -0.00065  -0.00007  -1.15054
   D14        0.95513   0.00000   0.00068  -0.00065   0.00003   0.95515
   D15        3.04142   0.00000   0.00065  -0.00065   0.00000   3.04142
   D16        3.07968   0.00000   0.00049  -0.00065  -0.00015   3.07953
   D17       -1.09791   0.00000   0.00059  -0.00065  -0.00006  -1.09797
   D18        0.98838   0.00000   0.00056  -0.00065  -0.00009   0.98829
   D19        2.04490   0.00000  -0.00247   0.00065  -0.00182   2.04308
   D20       -1.09749   0.00000  -0.00232   0.00086  -0.00146  -1.09895
   D21       -2.07211   0.00000  -0.00249   0.00065  -0.00184  -2.07395
   D22        1.06868   0.00000  -0.00234   0.00086  -0.00148   1.06720
   D23       -0.01278   0.00000  -0.00242   0.00068  -0.00175  -0.01453
   D24        3.12802   0.00000  -0.00227   0.00089  -0.00139   3.12663
   D25       -3.13782   0.00001   0.00015   0.00030   0.00045  -3.13737
   D26        0.00451   0.00000   0.00001   0.00011   0.00012   0.00463
   D27        3.13893   0.00000  -0.00017  -0.00017  -0.00033   3.13859
   D28       -0.00336   0.00000  -0.00004   0.00002  -0.00002  -0.00338
   D29        3.13120   0.00000  -0.00003   0.00009   0.00006   3.13126
   D30       -0.00376  -0.00001   0.00004  -0.00022  -0.00019  -0.00394
   D31        1.91626  -0.00001   0.00504  -0.00265   0.00239   1.91865
   D32       -2.20500  -0.00001   0.00515  -0.00251   0.00263  -2.20236
   D33       -0.19068   0.00000   0.00483  -0.00236   0.00246  -0.18822
   D34       -1.23288   0.00000   0.00496  -0.00229   0.00267  -1.23021
   D35        0.92905  -0.00001   0.00507  -0.00216   0.00291   0.93196
   D36        2.94337   0.00001   0.00475  -0.00201   0.00274   2.94611
   D37        0.00110   0.00000  -0.00006   0.00023   0.00017   0.00126
   D38       -3.13170   0.00001  -0.00006   0.00034   0.00028  -3.13141
   D39       -3.13310   0.00000   0.00001  -0.00012  -0.00011  -3.13321
   D40        0.01729   0.00000   0.00002  -0.00001   0.00001   0.01730
   D41       -1.24159   0.00001   0.00061   0.00078   0.00140  -1.24019
   D42        1.27669   0.00003   0.00096   0.00170   0.00265   1.27934
   D43        2.87957   0.00001   0.00071   0.00064   0.00136   2.88093
   D44       -0.88534   0.00003   0.00105   0.00156   0.00261  -0.88273
   D45        0.88902  -0.00001   0.00081   0.00046   0.00128   0.89030
   D46       -2.87589   0.00001   0.00115   0.00137   0.00253  -2.87336
   D47       -1.21335   0.00002   0.00019   0.00319   0.00337  -1.20998
   D48        3.00214   0.00002   0.00030   0.00306   0.00335   3.00549
   D49        0.88984   0.00002   0.00033   0.00308   0.00341   0.89324
   D50        2.51242   0.00002  -0.00019   0.00234   0.00215   2.51458
   D51        0.44473   0.00001  -0.00008   0.00221   0.00213   0.44686
   D52       -1.66757   0.00001  -0.00005   0.00223   0.00218  -1.66539
   D53       -2.77377   0.00000  -0.00115  -0.00054  -0.00169  -2.77546
   D54        0.40844   0.00003  -0.00127  -0.00041  -0.00169   0.40676
   D55       -0.26293  -0.00001  -0.00079   0.00033  -0.00047  -0.26340
   D56        2.91928   0.00003  -0.00091   0.00046  -0.00046   2.91882
   D57        2.84385  -0.00001  -0.00026  -0.00026  -0.00052   2.84333
   D58        0.38428   0.00001   0.00001   0.00105   0.00107   0.38535
   D59       -0.25781   0.00002  -0.00038  -0.00013  -0.00051  -0.25832
   D60       -2.71737   0.00004  -0.00011   0.00118   0.00107  -2.71630
   D61       -1.43222   0.00003   0.00222   0.00287   0.00509  -1.42713
   D62        2.70956   0.00003   0.00236   0.00274   0.00509   2.71465
   D63        0.64969   0.00001   0.00248   0.00267   0.00515   0.65484
   D64        1.05685   0.00001   0.00200   0.00156   0.00356   1.06041
   D65       -1.08455   0.00001   0.00213   0.00143   0.00356  -1.08099
   D66        3.13876  -0.00001   0.00226   0.00136   0.00362  -3.14080
   D67       -0.54463  -0.00003  -0.00140  -0.00098  -0.00238  -0.54700
   D68        2.62111  -0.00003  -0.00082  -0.00040  -0.00123   2.61988
   D69        1.57236  -0.00005  -0.00135  -0.00097  -0.00232   1.57004
   D70       -1.54509  -0.00005  -0.00077  -0.00039  -0.00117  -1.54626
   D71       -2.60232  -0.00002  -0.00152  -0.00065  -0.00217  -2.60449
   D72        0.56341  -0.00002  -0.00094  -0.00008  -0.00102   0.56239
   D73        1.23786   0.00001  -0.00089   0.00005  -0.00084   1.23702
   D74       -2.87318  -0.00006  -0.00130  -0.00029  -0.00159  -2.87477
   D75       -0.83090   0.00001  -0.00121   0.00011  -0.00110  -0.83201
   D76       -0.89109  -0.00003  -0.00076  -0.00001  -0.00076  -0.89186
   D77        1.28105  -0.00009  -0.00116  -0.00035  -0.00151   1.27954
   D78       -2.95986  -0.00003  -0.00107   0.00005  -0.00103  -2.96089
   D79       -3.00482  -0.00001  -0.00086  -0.00018  -0.00104  -3.00586
   D80       -0.83268  -0.00008  -0.00127  -0.00051  -0.00179  -0.83446
   D81        1.20960  -0.00002  -0.00118  -0.00012  -0.00130   1.20830
   D82       -3.14142  -0.00001  -0.00032   0.00029  -0.00003  -3.14145
   D83       -0.03491  -0.00006  -0.00059   0.00009  -0.00050  -0.03542
   D84        0.02366   0.00000   0.00024   0.00085   0.00109   0.02475
   D85        3.13016  -0.00006  -0.00003   0.00065   0.00061   3.13078
   D86        2.39814  -0.00007   0.00059  -0.00114  -0.00055   2.39760
   D87       -1.71472  -0.00016   0.00071  -0.00106  -0.00035  -1.71506
   D88        0.34880  -0.00007   0.00059  -0.00118  -0.00059   0.34821
   D89       -0.71005  -0.00002   0.00085  -0.00094  -0.00009  -0.71014
   D90        1.46028  -0.00010   0.00096  -0.00086   0.00011   1.46039
   D91       -2.75939  -0.00002   0.00085  -0.00099  -0.00014  -2.75952
   D92        1.03610   0.00002  -0.00015  -0.00024  -0.00040   1.03570
   D93       -1.11326   0.00001  -0.00011  -0.00032  -0.00043  -1.11369
   D94       -3.08852   0.00001  -0.00014  -0.00029  -0.00043  -3.08895
   D95       -1.11238  -0.00001  -0.00037  -0.00017  -0.00054  -1.11292
   D96        3.02145  -0.00001  -0.00033  -0.00024  -0.00057   3.02087
   D97        1.04619  -0.00002  -0.00036  -0.00021  -0.00057   1.04561
   D98        3.08119   0.00000  -0.00023  -0.00015  -0.00038   3.08081
   D99        0.93183   0.00000  -0.00019  -0.00022  -0.00041   0.93141
   D100      -1.04343  -0.00001  -0.00022  -0.00019  -0.00041  -1.04384
   D101       1.12208   0.00005   0.00011   0.00019   0.00030   1.12238
   D102      -1.00602   0.00002   0.00028   0.00025   0.00054  -1.00548
   D103      -3.01811   0.00007   0.00037   0.00012   0.00049  -3.01762
   D104      -3.01411   0.00000   0.00019   0.00029   0.00048  -3.01363
   D105       1.14097  -0.00003   0.00037   0.00035   0.00072   1.14169
   D106      -0.87112   0.00002   0.00045   0.00022   0.00067  -0.87045
   D107      -0.93068  -0.00001   0.00018   0.00027   0.00045  -0.93023
   D108      -3.05878  -0.00004   0.00035   0.00033   0.00069  -3.05810
   D109       1.21231   0.00000   0.00043   0.00020   0.00064   1.21295
   D110      -1.63705  -0.00001  -0.00070  -0.00052  -0.00123  -1.63828
   D111       1.51283  -0.00001  -0.00071  -0.00040  -0.00111   1.51172
   D112       0.49982   0.00000  -0.00078  -0.00042  -0.00121   0.49862
   D113      -2.63348   0.00000  -0.00079  -0.00030  -0.00109  -2.63456
   D114       2.50032  -0.00001  -0.00073  -0.00059  -0.00131   2.49901
   D115      -0.63298  -0.00001  -0.00074  -0.00046  -0.00120  -0.63417
   D116       3.13964   0.00000   0.00000   0.00009   0.00009   3.13973
   D117      -0.01879   0.00000   0.00006   0.00012   0.00019  -0.01860
   D118      -0.01016   0.00000   0.00001  -0.00004  -0.00003  -0.01019
   D119       3.11460   0.00000   0.00007   0.00000   0.00007   3.11467
   D120      -3.13916   0.00000   0.00001  -0.00006  -0.00006  -3.13922
   D121       0.01000   0.00000   0.00001  -0.00005  -0.00005   0.00995
   D122       0.01068   0.00000   0.00000   0.00006   0.00006   0.01074
   D123      -3.12335   0.00000   0.00000   0.00007   0.00007  -3.12328
   D124       0.00181   0.00000  -0.00001   0.00000  -0.00001   0.00180
   D125       3.13817   0.00000   0.00000  -0.00002  -0.00002   3.13815
   D126      -3.12303   0.00000  -0.00007  -0.00004  -0.00011  -3.12313
   D127       0.01333   0.00000  -0.00006  -0.00006  -0.00012   0.01321
   D128       0.00606   0.00000   0.00000   0.00002   0.00001   0.00607
   D129       3.14131   0.00000  -0.00001  -0.00002  -0.00002   3.14129
   D130      -3.13028   0.00000  -0.00001   0.00004   0.00003  -3.13026
   D131       0.00497   0.00000  -0.00002   0.00000  -0.00001   0.00496
   D132      -0.00554   0.00000   0.00001   0.00000   0.00002  -0.00552
   D133       3.13302   0.00000   0.00001  -0.00001   0.00001   3.13303
   D134      -3.14079   0.00000   0.00002   0.00004   0.00006  -3.14073
   D135      -0.00223   0.00000   0.00002   0.00003   0.00004  -0.00219
   D136      -0.00287   0.00000  -0.00001  -0.00004  -0.00006  -0.00292
   D137       3.13120   0.00000  -0.00001  -0.00006  -0.00007   3.13113
   D138      -3.14142   0.00000  -0.00001  -0.00003  -0.00005  -3.14147
   D139      -0.00736   0.00000  -0.00001  -0.00005  -0.00006  -0.00742
   D140      -1.83043  -0.00008  -0.00223  -0.00051  -0.00274  -1.83317
   D141       2.46448   0.00002  -0.00170  -0.00060  -0.00230   2.46219
   D142       0.25432   0.00002  -0.00166  -0.00035  -0.00201   0.25231
   D143       0.31366  -0.00005  -0.00221  -0.00057  -0.00278   0.31088
   D144      -1.67461   0.00005  -0.00168  -0.00066  -0.00234  -1.67695
   D145       2.39841   0.00004  -0.00164  -0.00042  -0.00205   2.39636
   D146       2.32668  -0.00009  -0.00233  -0.00045  -0.00278   2.32390
   D147       0.33841   0.00000  -0.00180  -0.00054  -0.00234   0.33607
   D148      -1.87175   0.00000  -0.00176  -0.00029  -0.00205  -1.87381
   D149       1.17207   0.00006   0.00303   0.00514   0.00817   1.18024
   D150      -2.97362  -0.00001   0.00292   0.00519   0.00811  -2.96551
   D151      -0.94108  -0.00001   0.00274   0.00515   0.00789  -0.93319
   D152      -0.96093  -0.00001   0.00154   0.00056   0.00210  -0.95883
   D153      -3.11881   0.00004   0.00171   0.00068   0.00240  -3.11641
   D154       1.16383   0.00002   0.00158   0.00079   0.00236   1.16619
   D155      -3.02391  -0.00001   0.00212   0.00041   0.00253  -3.02138
   D156       1.10139   0.00004   0.00230   0.00053   0.00283   1.10422
   D157      -0.89916   0.00002   0.00216   0.00064   0.00280  -0.89636
   D158       1.25392  -0.00001   0.00169   0.00029   0.00198   1.25590
   D159      -0.90396   0.00004   0.00187   0.00041   0.00228  -0.90169
   D160      -2.90451   0.00002   0.00173   0.00051   0.00225  -2.90227
   D161       2.99945   0.00000   0.00232   0.00087   0.00319   3.00263
   D162      -1.14274  -0.00002   0.00216   0.00082   0.00298  -1.13976
   D163       0.86245   0.00000   0.00229   0.00097   0.00325   0.86570
   D164      -1.16144   0.00003   0.00249   0.00064   0.00314  -1.15830
   D165       0.97955   0.00002   0.00233   0.00060   0.00293   0.98249
   D166       2.98474   0.00003   0.00246   0.00075   0.00321   2.98795
   D167       0.88297   0.00001   0.00254   0.00065   0.00319   0.88616
   D168       3.02397  -0.00001   0.00238   0.00060   0.00298   3.02695
   D169      -1.25403   0.00001   0.00251   0.00075   0.00325  -1.25077
   D170       1.13178   0.00005   0.00047  -0.00034   0.00013   1.13191
   D171      -1.32083   0.00003  -0.00144  -0.00036  -0.00180  -1.32264
   D172      -1.02511   0.00005   0.00060  -0.00030   0.00030  -1.02481
   D173       2.80546   0.00003  -0.00132  -0.00032  -0.00164   2.80382
   D174      -3.11282   0.00004   0.00043  -0.00037   0.00006  -3.11276
   D175       0.71775   0.00002  -0.00149  -0.00039  -0.00188   0.71587
   D176       1.68254   0.00000   0.00147   0.00079   0.00226   1.68480
   D177      -1.46259   0.00000   0.00146   0.00078   0.00224  -1.46034
   D178      -0.45645   0.00001   0.00165   0.00081   0.00246  -0.45399
   D179       2.68161   0.00001   0.00165   0.00080   0.00244   2.68405
   D180      -2.47252   0.00001   0.00156   0.00078   0.00234  -2.47018
   D181       0.66554   0.00001   0.00155   0.00077   0.00233   0.66786
   D182       3.13515   0.00000  -0.00001  -0.00009  -0.00010   3.13506
   D183      -0.01382  -0.00001  -0.00005  -0.00020  -0.00025  -0.01407
   D184      -0.00292   0.00000   0.00000  -0.00008  -0.00008  -0.00301
   D185       3.13129  -0.00001  -0.00004  -0.00019  -0.00024   3.13105
   D186      -3.13495   0.00000   0.00000   0.00007   0.00007  -3.13488
   D187       0.00742   0.00000  -0.00001   0.00008   0.00007   0.00749
   D188       0.00311   0.00000  -0.00001   0.00006   0.00006   0.00317
   D189      -3.13771   0.00000  -0.00002   0.00007   0.00006  -3.13765
   D190       0.00039   0.00000   0.00000   0.00004   0.00005   0.00044
   D191       3.14084   0.00000  -0.00002   0.00004   0.00002   3.14086
   D192      -3.13377   0.00000   0.00005   0.00015   0.00020  -3.13356
   D193       0.00668   0.00000   0.00003   0.00014   0.00017   0.00685
   D194       0.00195   0.00000   0.00000   0.00001   0.00001   0.00197
   D195      -3.14070   0.00000  -0.00004   0.00001  -0.00003  -3.14073
   D196      -3.13849   0.00000   0.00002   0.00002   0.00004  -3.13845
   D197       0.00204   0.00000  -0.00002   0.00002   0.00000   0.00204
   D198      -0.00177   0.00000   0.00000  -0.00003  -0.00004  -0.00180
   D199       3.13964   0.00000  -0.00001  -0.00004  -0.00004   3.13960
   D200       3.14089   0.00000   0.00003  -0.00003   0.00001   3.14090
   D201      -0.00089   0.00000   0.00003  -0.00003   0.00000  -0.00089
   D202      -0.00077   0.00000   0.00001   0.00000   0.00000  -0.00077
   D203       3.14005   0.00000   0.00002  -0.00001   0.00000   3.14006
   D204       3.14101   0.00000   0.00001   0.00000   0.00001   3.14101
   D205      -0.00136   0.00000   0.00002  -0.00001   0.00001  -0.00135
   D206       0.56503   0.00001  -0.00150   0.00006  -0.00145   0.56358
   D207      -2.62732   0.00002  -0.00184   0.00037  -0.00147  -2.62879
   D208       2.99953   0.00000   0.00040   0.00003   0.00044   2.99997
   D209      -0.19281   0.00001   0.00006   0.00035   0.00041  -0.19240
   D210       3.10021   0.00005  -0.00020   0.00039   0.00019   3.10040
   D211      -0.08784   0.00006  -0.00052   0.00068   0.00016  -0.08768
   D212      -1.14814   0.00009   0.00098  -0.00050   0.00047  -1.14767
   D213       3.03602   0.00004   0.00098  -0.00060   0.00038   3.03640
   D214       1.01228   0.00001   0.00090  -0.00050   0.00040   1.01268
   D215      -2.05257  -0.00002   0.00051  -0.00046   0.00005  -2.05251
   D216       1.06889  -0.00004   0.00082  -0.00050   0.00032   1.06921
   D217      -0.09506   0.00001   0.00066  -0.00037   0.00029  -0.09478
   D218       3.02640  -0.00001   0.00096  -0.00041   0.00055   3.02695
   D219       2.11622   0.00002   0.00048  -0.00057  -0.00009   2.11612
   D220      -1.04551  -0.00001   0.00078  -0.00061   0.00017  -1.04534
   D221       3.13826  -0.00001   0.00047   0.00001   0.00049   3.13875
   D222      -0.01327   0.00001   0.00119   0.00026   0.00145  -0.01182
   D223       0.01519   0.00001   0.00020   0.00005   0.00024   0.01543
   D224      -3.13635   0.00004   0.00092   0.00030   0.00121  -3.13513
   D225       3.13829   0.00000  -0.00032  -0.00022  -0.00055   3.13774
   D226      -0.01961  -0.00001  -0.00008  -0.00026  -0.00033  -0.01994
   D227       0.00040   0.00001  -0.00025   0.00028   0.00003   0.00043
   D228      -3.13225  -0.00002  -0.00090   0.00006  -0.00084  -3.13309
   D229      -0.01614  -0.00002   0.00018  -0.00048  -0.00030  -0.01643
   D230      -3.11882   0.00004   0.00013   0.00106   0.00119  -3.11764
   D231       0.02102   0.00002  -0.00006   0.00043   0.00037   0.02139
   D232       3.12528  -0.00004  -0.00001  -0.00104  -0.00106   3.12422
   D233      -0.98933   0.00001   0.00114   0.00207   0.00321  -0.98611
   D234       1.10437   0.00001   0.00123   0.00182   0.00305   1.10742
   D235      -3.07869   0.00001   0.00123   0.00187   0.00311  -3.07558
   D236       3.12714   0.00001   0.00146   0.00214   0.00361   3.13075
   D237      -1.06235   0.00000   0.00156   0.00189   0.00344  -1.05891
   D238       1.03778   0.00001   0.00155   0.00194   0.00350   1.04128
   D239       1.05958   0.00000   0.00143   0.00206   0.00349   1.06307
   D240      -3.12991  -0.00001   0.00152   0.00181   0.00332  -3.12658
   D241      -1.02977   0.00000   0.00152   0.00186   0.00338  -1.02640
   D242       2.96327   0.00002   0.00041   0.00012   0.00054   2.96380
   D243      -1.24658   0.00001   0.00024   0.00026   0.00050  -1.24608
   D244       0.88279   0.00000   0.00019   0.00005   0.00025   0.88304
   D245      -1.12972   0.00000   0.00034  -0.00016   0.00019  -1.12954
   D246       0.94361  -0.00001   0.00017  -0.00002   0.00015   0.94376
   D247       3.07299  -0.00002   0.00012  -0.00022  -0.00010   3.07288
   D248       0.93991  -0.00001   0.00037  -0.00020   0.00017   0.94008
   D249       3.01324  -0.00002   0.00020  -0.00006   0.00014   3.01338
   D250      -1.14057  -0.00003   0.00015  -0.00027  -0.00012  -1.14068
   D251       0.00117   0.00000   0.00006  -0.00014  -0.00008   0.00108
   D252       3.13461  -0.00001   0.00005  -0.00024  -0.00019   3.13442
         Item               Value     Threshold  Converged?
 Maximum Force            0.000311     0.000450     YES
 RMS     Force            0.000041     0.000300     YES
 Maximum Displacement     0.035925     0.001800     NO 
 RMS     Displacement     0.007492     0.001200     NO 
 Predicted change in Energy=-2.036503D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.771077   -2.050992    0.955282
      2          6           0       -9.316881   -1.003986   -0.066446
      3          6           0      -10.087200    0.311127    0.085461
      4          6           0       -7.844775   -0.764332    0.054773
      5          7           0       -6.936232   -0.998225   -0.861142
      6          6           0       -5.627796   -0.663735   -0.422649
      7          6           0       -4.493592   -0.899581   -1.380193
      8          7           0       -3.894954    0.353665   -1.905959
      9          6           0       -4.771044    1.085106   -2.863031
     10          6           0       -3.073089    1.174716   -1.091565
     11          8           0       -2.880340    2.358769   -1.347799
     12          7           0       -2.426199    0.562788    0.023894
     13          6           0       -1.293716    1.316077    0.609489
     14          6           0       -0.008662    1.071186   -0.209434
     15          8           0        0.228236    0.022131   -0.798618
     16          7           0        0.905020    2.119414   -0.219299
     17          6           0        2.189032    2.024749   -0.967533
     18          6           0        2.466865    3.350161   -1.710890
     19          6           0        2.562392    4.555590   -0.817267
     20          6           0        1.427371    5.348915   -0.585025
     21          6           0        1.512109    6.468513    0.246637
     22          6           0        2.727048    6.806931    0.850601
     23          6           0        3.861340    6.024055    0.613543
     24          6           0        3.782800    4.903583   -0.217792
     25          6           0        3.335716    1.638431   -0.009688
     26          6           0        3.125906    0.239116    0.578785
     27          8           0        2.696326    0.358880    1.952143
     28          6           0        4.414066   -0.624654    0.723234
     29          6           0        5.165599   -0.754666   -0.611638
     30          6           0        6.501474   -1.421989   -0.435390
     31          6           0        6.632399   -2.798783   -0.673755
     32          6           0        7.873738   -3.419683   -0.518390
     33          6           0        8.989912   -2.673606   -0.124728
     34          6           0        8.860061   -1.302402    0.115836
     35          6           0        7.620478   -0.674920   -0.037644
     36          7           0        4.024553   -1.960392    1.275280
     37          6           0        3.209883   -2.790676    0.503195
     38          8           0        3.157194   -2.898272   -0.712464
     39          8           0        2.445142   -3.590785    1.342014
     40          6           0        1.495387   -4.483824    0.676316
     41          6           0        0.448639   -3.701772   -0.009797
     42          6           0       -0.904176   -3.663006    0.193555
     43          7           0       -1.615939   -2.787954   -0.652493
     44          6           0       -0.809807   -2.165737   -1.494076
     45         16           0        0.884424   -2.591162   -1.289327
     46          6           0       -1.111958    0.888478    2.095560
     47          6           0       -0.560948   -0.529429    2.237166
     48          6           0       -0.222590    1.894340    2.832782
     49          6           0       -5.549050   -0.163929    0.845784
     50         16           0       -7.134398   -0.094385    1.549732
     51          1           0      -10.827545   -2.305645    0.810005
     52          1           0       -9.194092   -2.979723    0.860436
     53          1           0       -9.661949   -1.700489    1.988384
     54          1           0       -9.513361   -1.411082   -1.099718
     55          1           0       -9.993279    0.735829    1.091977
     56          1           0       -9.732746    1.068348   -0.625131
     57          1           0      -11.156847    0.160756   -0.102853
     58          1           0       -3.704318   -1.529473   -0.894636
     59          1           0       -4.848451   -1.501066   -2.256668
     60          1           0       -4.842208    0.497484   -3.793004
     61          1           0       -4.332830    2.071418   -3.108808
     62          1           0       -5.787185    1.248493   -2.468144
     63          1           0       -2.286350   -0.457750    0.008346
     64          1           0       -1.564166    2.413037    0.571334
     65          1           0        0.716840    2.998732    0.257807
     66          1           0        2.074734    1.208268   -1.740479
     67          1           0        1.668377    3.504480   -2.471300
     68          1           0        3.398454    3.239229   -2.304669
     69          1           0        0.479940    5.103474   -1.064865
     70          1           0        0.628420    7.081835    0.420199
     71          1           0        2.791127    7.679333    1.497700
     72          1           0        4.811089    6.289687    1.076176
     73          1           0        4.673099    4.306767   -0.403635
     74          1           0        3.424957    2.373899    0.817336
     75          1           0        4.300407    1.697771   -0.553674
     76          1           0        2.339566   -0.322227    0.009941
     77          1           0        1.785845    0.755674    1.997546
     78          1           0        5.084667   -0.158352    1.496979
     79          1           0        4.543941   -1.324363   -1.345932
     80          1           0        5.294450    0.252601   -1.062814
     81          1           0        5.758840   -3.380317   -0.973501
     82          1           0        7.971718   -4.488114   -0.703452
     83          1           0        9.955489   -3.159391   -0.005270
     84          1           0        9.726732   -0.720540    0.423963
     85          1           0        7.527784    0.391008    0.152716
     86          1           0        3.814250   -1.935946    2.283822
     87          1           0        1.118715   -5.065151    1.542645
     88          1           0        2.062196   -5.139889   -0.015354
     89          1           0       -1.473771   -4.232053    0.920223
     90          1           0       -1.123524   -1.428203   -2.227333
     91          1           0       -2.133731    0.918299    2.561103
     92          1           0       -1.190575   -1.268981    1.724317
     93          1           0        0.449338   -0.639647    1.816767
     94          1           0       -0.504580   -0.831993    3.289352
     95          1           0       -0.236528    1.702754    3.914458
     96          1           0        0.832430    1.831960    2.519174
     97          1           0       -0.555618    2.928195    2.690711
     98          1           0       -4.671490    0.162743    1.380742
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0813614      0.0289446      0.0233382
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.6352096412 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258571328584     A.U. after   14 cycles
             Convg  =    0.7288D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000456    0.000005335    0.000002160
      2        6          -0.000006217   -0.000001704   -0.000008030
      3        6          -0.000005584   -0.000000144   -0.000001752
      4        6           0.000022202   -0.000028790    0.000034093
      5        7          -0.000012203   -0.000010283   -0.000011287
      6        6           0.000018953    0.000011020   -0.000023490
      7        6          -0.000047715    0.000031575    0.000019330
      8        7          -0.000011320   -0.000073307    0.000014128
      9        6          -0.000007843    0.000025772   -0.000012132
     10        6           0.000068616    0.000008295   -0.000055338
     11        8          -0.000023288    0.000025222    0.000026611
     12        7           0.000017718   -0.000059664    0.000045087
     13        6          -0.000017084   -0.000030422    0.000023659
     14        6           0.000035344   -0.000025048   -0.000057347
     15        8           0.000023025    0.000014775   -0.000005757
     16        7          -0.000021555   -0.000020510    0.000051070
     17        6           0.000010947   -0.000003229   -0.000090260
     18        6          -0.000003427    0.000047421    0.000039333
     19        6          -0.000003108   -0.000012840    0.000010277
     20        6           0.000003952   -0.000003852    0.000000695
     21        6           0.000000978    0.000010947    0.000000029
     22        6          -0.000007796   -0.000001638    0.000001246
     23        6           0.000008956   -0.000007589   -0.000001844
     24        6           0.000001592    0.000019034    0.000000290
     25        6          -0.000032505   -0.000033811   -0.000037062
     26        6          -0.000018620   -0.000003961    0.000069250
     27        8          -0.000076112   -0.000014311    0.000002831
     28        6           0.000065687    0.000022439   -0.000044491
     29        6           0.000024339    0.000005713   -0.000000431
     30        6          -0.000016331   -0.000021015   -0.000001533
     31        6           0.000003671    0.000013486   -0.000007059
     32        6          -0.000006608   -0.000002188    0.000000886
     33        6           0.000003143    0.000004533    0.000001704
     34        6           0.000004538    0.000001906   -0.000002325
     35        6           0.000002536   -0.000001442    0.000005083
     36        7          -0.000036971    0.000031560   -0.000008425
     37        6          -0.000074659   -0.000018290   -0.000069592
     38        8          -0.000003069   -0.000024513    0.000025337
     39        8           0.000059514   -0.000018644    0.000026799
     40        6           0.000008106   -0.000026844    0.000087534
     41        6          -0.000033698    0.000007111   -0.000149583
     42        6           0.000043632    0.000013875    0.000047157
     43        7          -0.000017075   -0.000005406    0.000010355
     44        6          -0.000050484   -0.000030661   -0.000011764
     45       16           0.000075066    0.000023741    0.000091358
     46        6           0.000033465   -0.000016565   -0.000061060
     47        6          -0.000074709   -0.000013954    0.000007691
     48        6          -0.000028485    0.000021478    0.000010401
     49        6           0.000030644   -0.000007641    0.000032593
     50       16          -0.000023994    0.000025604   -0.000028513
     51        1          -0.000000325    0.000002541   -0.000001133
     52        1          -0.000001173   -0.000003995    0.000000332
     53        1           0.000001386   -0.000001080   -0.000001952
     54        1           0.000003168    0.000005096   -0.000000737
     55        1           0.000000246   -0.000001650    0.000000390
     56        1          -0.000002145   -0.000000771    0.000001313
     57        1           0.000004453    0.000000880    0.000002508
     58        1           0.000021276   -0.000013249   -0.000024840
     59        1          -0.000010704    0.000012108    0.000002190
     60        1           0.000018509    0.000004525    0.000009864
     61        1          -0.000013078   -0.000000195    0.000000134
     62        1           0.000007259   -0.000011224   -0.000002065
     63        1          -0.000030665    0.000040779    0.000027233
     64        1          -0.000004000    0.000039101    0.000009656
     65        1          -0.000006841    0.000002614   -0.000004122
     66        1          -0.000011336    0.000008636    0.000000501
     67        1          -0.000000945   -0.000001258    0.000003571
     68        1           0.000005611   -0.000003563    0.000005161
     69        1          -0.000002347    0.000002561    0.000003652
     70        1          -0.000002370   -0.000001533   -0.000001609
     71        1           0.000001571    0.000000298    0.000000216
     72        1          -0.000000854    0.000000716    0.000001301
     73        1           0.000000408    0.000000915    0.000001384
     74        1           0.000025208    0.000024239    0.000002797
     75        1           0.000013270   -0.000014090    0.000020498
     76        1           0.000015845    0.000004619    0.000003686
     77        1           0.000027589    0.000001445    0.000004658
     78        1          -0.000012339   -0.000001636    0.000014325
     79        1           0.000005726    0.000000471    0.000003087
     80        1          -0.000012276    0.000004005    0.000007679
     81        1           0.000000024   -0.000002846    0.000005010
     82        1           0.000001550   -0.000000893   -0.000002434
     83        1          -0.000001809   -0.000002320   -0.000001207
     84        1          -0.000001528    0.000001258    0.000001953
     85        1           0.000001796    0.000003808    0.000003274
     86        1           0.000038594   -0.000006903    0.000016376
     87        1          -0.000032299   -0.000002826   -0.000064468
     88        1          -0.000000876    0.000021813    0.000000006
     89        1          -0.000010098   -0.000008573   -0.000011644
     90        1          -0.000001526    0.000009585   -0.000008067
     91        1           0.000015892    0.000003559    0.000001966
     92        1           0.000009418    0.000024861    0.000011722
     93        1           0.000015424    0.000001237   -0.000032766
     94        1           0.000037857    0.000006519    0.000003206
     95        1          -0.000000675   -0.000004286   -0.000002689
     96        1           0.000007582    0.000000877    0.000009363
     97        1          -0.000009124    0.000006378   -0.000005316
     98        1          -0.000016946   -0.000005130   -0.000011873
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000149583 RMS     0.000025568

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000113134 RMS     0.000017661
 Search for a local minimum.
 Step number  82 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   70   73   72   74   75
                                                     76   77   78   79   80
                                                     81   82
 DE= -2.70D-06 DEPred=-2.04D-06 R= 1.32D+00
 SS=  1.41D+00  RLast= 2.98D-02 DXNew= 5.6361D-01 8.9426D-02
 Trust test= 1.32D+00 RLast= 2.98D-02 DXMaxT set to 3.35D-01
     Eigenvalues ---    0.00069   0.00107   0.00182   0.00223   0.00238
     Eigenvalues ---    0.00275   0.00344   0.00407   0.00521   0.00601
     Eigenvalues ---    0.00662   0.00677   0.00751   0.00783   0.00856
     Eigenvalues ---    0.00902   0.00980   0.01062   0.01173   0.01237
     Eigenvalues ---    0.01299   0.01408   0.01418   0.01453   0.01492
     Eigenvalues ---    0.01594   0.01614   0.01703   0.01739   0.01758
     Eigenvalues ---    0.01928   0.02028   0.02109   0.02194   0.02200
     Eigenvalues ---    0.02205   0.02220   0.02256   0.02260   0.02269
     Eigenvalues ---    0.02291   0.02329   0.02370   0.02399   0.02407
     Eigenvalues ---    0.02410   0.02416   0.02448   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02569   0.02643   0.02700
     Eigenvalues ---    0.02919   0.02939   0.03355   0.03911   0.03998
     Eigenvalues ---    0.04085   0.04147   0.04181   0.04319   0.04469
     Eigenvalues ---    0.04597   0.04729   0.04942   0.04966   0.05089
     Eigenvalues ---    0.05176   0.05191   0.05272   0.05377   0.05418
     Eigenvalues ---    0.05456   0.05507   0.05524   0.05577   0.05639
     Eigenvalues ---    0.05723   0.05742   0.05821   0.05852   0.05918
     Eigenvalues ---    0.05983   0.06023   0.06137   0.06221   0.06337
     Eigenvalues ---    0.06511   0.06735   0.06902   0.07090   0.07188
     Eigenvalues ---    0.07534   0.08208   0.08439   0.08618   0.08762
     Eigenvalues ---    0.09277   0.09610   0.09888   0.10342   0.11528
     Eigenvalues ---    0.12095   0.12907   0.13129   0.13260   0.13435
     Eigenvalues ---    0.13831   0.14087   0.14621   0.15528   0.15639
     Eigenvalues ---    0.15729   0.15853   0.15951   0.15980   0.15981
     Eigenvalues ---    0.15986   0.15987   0.15995   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16001   0.16004   0.16013   0.16014   0.16021
     Eigenvalues ---    0.16054   0.16079   0.16094   0.16118   0.16162
     Eigenvalues ---    0.16228   0.16478   0.16842   0.16904   0.17272
     Eigenvalues ---    0.17811   0.17963   0.18208   0.18767   0.19134
     Eigenvalues ---    0.19742   0.20516   0.20590   0.20972   0.21819
     Eigenvalues ---    0.21872   0.22000   0.22000   0.22003   0.22080
     Eigenvalues ---    0.22191   0.22424   0.22647   0.23146   0.23444
     Eigenvalues ---    0.23494   0.23670   0.23725   0.24012   0.24226
     Eigenvalues ---    0.24393   0.24638   0.24894   0.25018   0.25085
     Eigenvalues ---    0.25257   0.25299   0.25589   0.26304   0.27139
     Eigenvalues ---    0.28103   0.29389   0.29776   0.29922   0.29952
     Eigenvalues ---    0.30118   0.30299   0.30332   0.30455   0.30659
     Eigenvalues ---    0.30719   0.30868   0.31321   0.31428   0.31452
     Eigenvalues ---    0.31466   0.31503   0.31640   0.31675   0.31905
     Eigenvalues ---    0.31983   0.32144   0.32337   0.32419   0.32492
     Eigenvalues ---    0.32611   0.32684   0.32779   0.32866   0.32911
     Eigenvalues ---    0.32988   0.33049   0.33070   0.33123   0.33203
     Eigenvalues ---    0.33239   0.33371   0.33542   0.33563   0.33677
     Eigenvalues ---    0.33742   0.33775   0.33943   0.33982   0.34001
     Eigenvalues ---    0.34111   0.34227   0.34259   0.34318   0.34364
     Eigenvalues ---    0.34485   0.34568   0.34694   0.34743   0.35512
     Eigenvalues ---    0.35778   0.36247   0.36312   0.36377   0.36545
     Eigenvalues ---    0.36634   0.36847   0.36926   0.37073   0.37528
     Eigenvalues ---    0.38334   0.38562   0.39255   0.40176   0.40913
     Eigenvalues ---    0.41340   0.41879   0.42494   0.42888   0.43163
     Eigenvalues ---    0.43368   0.43578   0.44352   0.45197   0.45849
     Eigenvalues ---    0.46124   0.47503   0.47608   0.48239   0.48409
     Eigenvalues ---    0.48635   0.48823   0.49067   0.49321   0.50270
     Eigenvalues ---    0.50970   0.51196   0.51333   0.51482   0.55490
     Eigenvalues ---    0.56500   0.58774   0.59879   0.62320   0.63562
     Eigenvalues ---    0.65960   0.68831   0.77921   0.79038   0.85045
     Eigenvalues ---    1.45584   1.81951   4.135191000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    82   81   80   79   78
 RFO step:  Lambda=-3.22268177D-07.
 DIIS coeffs:      1.26889     -0.13224     -0.36293      0.18186      0.04441
 Iteration  1 RMS(Cart)=  0.00336009 RMS(Int)=  0.00000137
 Iteration  2 RMS(Cart)=  0.00000539 RMS(Int)=  0.00000020
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000020
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89470   0.00000   0.00001   0.00001   0.00003   2.89473
    R2        2.07188   0.00000   0.00000   0.00000   0.00000   2.07188
    R3        2.07392   0.00000   0.00000   0.00000   0.00000   2.07392
    R4        2.07187   0.00000   0.00000   0.00000   0.00000   2.07187
    R5        2.89442   0.00000  -0.00001   0.00001   0.00000   2.89442
    R6        2.82779   0.00000  -0.00003   0.00003   0.00001   2.82780
    R7        2.13127   0.00000   0.00000   0.00001   0.00001   2.13129
    R8        2.07205   0.00000   0.00000   0.00001   0.00001   2.07205
    R9        2.07351   0.00000   0.00000   0.00000   0.00000   2.07351
   R10        2.07200   0.00000   0.00001   0.00001   0.00002   2.07202
   R11        2.47767   0.00002  -0.00001   0.00003   0.00002   2.47770
   R12        3.37429  -0.00002   0.00003  -0.00004  -0.00001   3.37429
   R13        2.68325  -0.00001  -0.00004   0.00000  -0.00004   2.68322
   R14        2.84021   0.00001  -0.00002   0.00006   0.00004   2.84025
   R15        2.58066   0.00001   0.00000   0.00002   0.00002   2.58068
   R16        2.80637  -0.00001  -0.00007   0.00002  -0.00005   2.80632
   R17        2.11741  -0.00003   0.00003  -0.00006  -0.00004   2.11737
   R18        2.11777   0.00001   0.00003   0.00002   0.00005   2.11782
   R19        2.81469   0.00001  -0.00001   0.00004   0.00002   2.81472
   R20        2.68103  -0.00004  -0.00010  -0.00005  -0.00015   2.68088
   R21        2.08317   0.00000   0.00000   0.00000  -0.00001   2.08316
   R22        2.09176   0.00000   0.00001   0.00000   0.00001   2.09177
   R23        2.08314   0.00001   0.00000   0.00001   0.00001   2.08315
   R24        2.31812  -0.00004   0.00000  -0.00003  -0.00002   2.31810
   R25        2.69720   0.00004   0.00005   0.00015   0.00020   2.69740
   R26        2.79838  -0.00002   0.00004   0.00006   0.00010   2.79848
   R27        1.94678   0.00006   0.00005   0.00015   0.00020   1.94698
   R28        2.91653  -0.00001   0.00003  -0.00004  -0.00001   2.91652
   R29        2.94232  -0.00006  -0.00004  -0.00005  -0.00009   2.94223
   R30        2.13624  -0.00003  -0.00005  -0.00009  -0.00014   2.13610
   R31        2.31734   0.00000  -0.00002   0.00004   0.00002   2.31737
   R32        2.62780   0.00000  -0.00008  -0.00007  -0.00015   2.62765
   R33        2.81404   0.00001  -0.00003  -0.00002  -0.00006   2.81399
   R34        1.92366  -0.00001   0.00003  -0.00001   0.00002   1.92368
   R35        2.91930  -0.00008   0.00002  -0.00023  -0.00021   2.91909
   R36        2.91630   0.00005  -0.00002   0.00001  -0.00001   2.91629
   R37        2.13560   0.00001   0.00005  -0.00002   0.00004   2.13564
   R38        2.84135  -0.00001   0.00003  -0.00003   0.00000   2.84135
   R39        2.10399   0.00000   0.00000  -0.00001  -0.00001   2.10398
   R40        2.09814  -0.00001  -0.00001  -0.00001  -0.00002   2.09812
   R41        2.65342   0.00000   0.00000  -0.00001  -0.00001   2.65340
   R42        2.65227  -0.00001   0.00001  -0.00002  -0.00002   2.65225
   R43        2.64044  -0.00001   0.00001  -0.00001   0.00000   2.64044
   R44        2.05981   0.00000   0.00001   0.00000   0.00001   2.05982
   R45        2.64249   0.00000  -0.00001   0.00001   0.00000   2.64249
   R46        2.05902   0.00000   0.00000   0.00000  -0.00001   2.05901
   R47        2.64272   0.00000   0.00001   0.00000   0.00001   2.64273
   R48        2.05618   0.00000   0.00000   0.00000   0.00000   2.05618
   R49        2.64072   0.00001  -0.00001   0.00002   0.00001   2.64072
   R50        2.05851   0.00000  -0.00001   0.00000   0.00000   2.05851
   R51        2.05569   0.00000   0.00000   0.00000   0.00000   2.05569
   R52        2.89591   0.00003   0.00007   0.00004   0.00011   2.89602
   R53        2.09823  -0.00002  -0.00008   0.00002  -0.00005   2.09818
   R54        2.09587  -0.00002  -0.00002  -0.00003  -0.00005   2.09582
   R55        2.72867  -0.00001  -0.00007   0.00001  -0.00006   2.72861
   R56        2.94356  -0.00004   0.00003  -0.00003   0.00000   2.94356
   R57        2.11870   0.00001  -0.00005   0.00002  -0.00003   2.11867
   R58        1.87881   0.00003  -0.00011   0.00009  -0.00002   1.87879
   R59        2.90526  -0.00001  -0.00002  -0.00004  -0.00006   2.90520
   R60        2.82871  -0.00004   0.00000   0.00004   0.00004   2.82874
   R61        2.12611   0.00001   0.00006   0.00001   0.00007   2.12618
   R62        2.84147   0.00001   0.00002   0.00002   0.00004   2.84151
   R63        2.11295   0.00000   0.00003   0.00000   0.00002   2.11297
   R64        2.09985  -0.00001   0.00000  -0.00003  -0.00003   2.09982
   R65        2.65203   0.00001   0.00000   0.00001   0.00001   2.65205
   R66        2.65134  -0.00001  -0.00002  -0.00001  -0.00003   2.65130
   R67        2.63925   0.00000  -0.00001   0.00000  -0.00001   2.63924
   R68        2.06243   0.00000   0.00005   0.00000   0.00005   2.06248
   R69        2.64389   0.00000   0.00001   0.00000   0.00001   2.64390
   R70        2.05745   0.00000   0.00000   0.00000  -0.00001   2.05744
   R71        2.64219   0.00000  -0.00001   0.00000  -0.00001   2.64219
   R72        2.05503   0.00000   0.00000   0.00000   0.00000   2.05503
   R73        2.64147   0.00000   0.00001   0.00000   0.00001   2.64147
   R74        2.05679   0.00000   0.00000   0.00000   0.00000   2.05679
   R75        2.05366   0.00000   0.00000  -0.00001  -0.00001   2.05365
   R76        2.63830  -0.00006  -0.00002   0.00003   0.00000   2.63830
   R77        1.94741   0.00003   0.00007   0.00009   0.00016   1.94757
   R78        2.30839  -0.00003  -0.00001  -0.00006  -0.00007   2.30832
   R79        2.62436   0.00003   0.00016   0.00003   0.00020   2.62455
   R80        2.76618   0.00000  -0.00010   0.00000  -0.00010   2.76608
   R81        2.78889   0.00003   0.00002   0.00004   0.00006   2.78895
   R82        2.09610  -0.00007  -0.00002  -0.00014  -0.00016   2.09594
   R83        2.09589   0.00001   0.00003   0.00004   0.00007   2.09597
   R84        2.58621   0.00002  -0.00008   0.00006  -0.00002   2.58618
   R85        3.30597  -0.00009   0.00014  -0.00028  -0.00014   3.30583
   R86        2.66453   0.00000   0.00007  -0.00004   0.00003   2.66456
   R87        2.04955  -0.00002   0.00004  -0.00006  -0.00002   2.04953
   R88        2.49649   0.00001  -0.00004   0.00003  -0.00001   2.49648
   R89        3.32362  -0.00005   0.00002  -0.00008  -0.00006   3.32357
   R90        2.05280   0.00001   0.00003   0.00002   0.00005   2.05285
   R91        2.88709   0.00001   0.00006   0.00012   0.00017   2.88727
   R92        2.89457  -0.00002   0.00006  -0.00005   0.00001   2.89458
   R93        2.12259   0.00002  -0.00002   0.00002   0.00000   2.12259
   R94        2.07559   0.00003   0.00008   0.00004   0.00012   2.07571
   R95        2.07832   0.00000  -0.00009   0.00001  -0.00007   2.07825
   R96        2.07166   0.00000  -0.00001   0.00000  -0.00001   2.07165
   R97        2.07606   0.00000  -0.00002   0.00001  -0.00002   2.07604
   R98        2.08325  -0.00001   0.00011  -0.00006   0.00005   2.08331
   R99        2.07005  -0.00001  -0.00006   0.00001  -0.00004   2.07001
   R100       3.28057  -0.00002  -0.00005  -0.00003  -0.00008   3.28049
   R101       2.03793   0.00001  -0.00002   0.00004   0.00002   2.03795
    A1        1.93487   0.00000  -0.00001   0.00000  -0.00001   1.93487
    A2        1.94430   0.00000   0.00002   0.00000   0.00002   1.94432
    A3        1.96112   0.00000  -0.00001  -0.00003  -0.00004   1.96108
    A4        1.87401   0.00000  -0.00002   0.00001  -0.00001   1.87400
    A5        1.87027   0.00000   0.00000   0.00003   0.00003   1.87030
    A6        1.87511   0.00000   0.00001  -0.00001   0.00000   1.87512
    A7        1.95152   0.00000  -0.00003   0.00001  -0.00002   1.95151
    A8        1.92530   0.00000  -0.00001  -0.00004  -0.00005   1.92526
    A9        1.88885   0.00000   0.00001  -0.00002   0.00000   1.88884
   A10        1.92753   0.00000   0.00005   0.00001   0.00007   1.92760
   A11        1.88933   0.00000  -0.00001   0.00000  -0.00001   1.88932
   A12        1.87906   0.00000  -0.00002   0.00003   0.00001   1.87908
   A13        1.96117   0.00000   0.00001   0.00002   0.00003   1.96119
   A14        1.94534   0.00000   0.00000  -0.00001   0.00000   1.94533
   A15        1.93462   0.00000   0.00000   0.00000   0.00000   1.93462
   A16        1.87497   0.00000   0.00001  -0.00001   0.00000   1.87497
   A17        1.86956   0.00000  -0.00002  -0.00002  -0.00003   1.86953
   A18        1.87398   0.00000   0.00000   0.00001   0.00001   1.87399
   A19        2.20998  -0.00001   0.00005  -0.00002   0.00003   2.21000
   A20        2.11681   0.00001  -0.00001   0.00003   0.00002   2.11683
   A21        1.95640   0.00000  -0.00003  -0.00001  -0.00004   1.95635
   A22        1.96145   0.00000   0.00002   0.00000   0.00002   1.96147
   A23        2.05068   0.00003   0.00003   0.00008   0.00011   2.05079
   A24        2.01107   0.00000   0.00000   0.00000   0.00000   2.01107
   A25        2.22141  -0.00003  -0.00003  -0.00007  -0.00011   2.22130
   A26        1.97940  -0.00005  -0.00021  -0.00009  -0.00031   1.97909
   A27        1.92165   0.00002   0.00007  -0.00006   0.00001   1.92166
   A28        1.92148   0.00002  -0.00001   0.00019   0.00018   1.92166
   A29        1.92184   0.00000   0.00005  -0.00010  -0.00005   1.92179
   A30        1.87936   0.00002   0.00011   0.00008   0.00019   1.87955
   A31        1.83407   0.00000   0.00001   0.00000   0.00001   1.83408
   A32        1.98756   0.00000   0.00011   0.00000   0.00011   1.98767
   A33        2.11609  -0.00001   0.00007  -0.00006   0.00001   2.11610
   A34        2.01018   0.00001   0.00009   0.00001   0.00010   2.01029
   A35        1.89470   0.00001   0.00004   0.00010   0.00014   1.89484
   A36        1.92558  -0.00002  -0.00002  -0.00011  -0.00012   1.92545
   A37        1.96578   0.00000  -0.00005   0.00002  -0.00003   1.96575
   A38        1.88938   0.00001  -0.00001   0.00004   0.00003   1.88941
   A39        1.89832  -0.00001   0.00000  -0.00004  -0.00004   1.89829
   A40        1.88851   0.00000   0.00004  -0.00001   0.00003   1.88854
   A41        2.12907   0.00001  -0.00002   0.00001  -0.00001   2.12905
   A42        2.05223  -0.00001   0.00004  -0.00003   0.00001   2.05224
   A43        2.10117   0.00000  -0.00002   0.00002   0.00000   2.10117
   A44        2.02369  -0.00002  -0.00018  -0.00012  -0.00030   2.02339
   A45        2.06513   0.00001  -0.00020  -0.00016  -0.00036   2.06477
   A46        1.98895   0.00001  -0.00019  -0.00010  -0.00029   1.98867
   A47        1.92433   0.00004  -0.00005   0.00007   0.00002   1.92435
   A48        1.90393  -0.00003   0.00003  -0.00007  -0.00004   1.90389
   A49        1.87267  -0.00001  -0.00003  -0.00008  -0.00011   1.87256
   A50        1.94514  -0.00001  -0.00001  -0.00006  -0.00007   1.94507
   A51        1.91268  -0.00001   0.00010   0.00002   0.00012   1.91280
   A52        1.90354   0.00003  -0.00003   0.00012   0.00009   1.90363
   A53        2.15499  -0.00001   0.00003  -0.00017  -0.00014   2.15485
   A54        2.01666  -0.00004  -0.00004   0.00019   0.00014   2.01681
   A55        2.11125   0.00004   0.00001  -0.00002  -0.00001   2.11124
   A56        2.12022   0.00009   0.00006  -0.00008  -0.00002   2.12020
   A57        2.12511  -0.00004  -0.00001   0.00004   0.00003   2.12514
   A58        2.03735  -0.00005  -0.00006   0.00003  -0.00004   2.03731
   A59        1.92018  -0.00003   0.00003  -0.00011  -0.00007   1.92010
   A60        1.92275   0.00002  -0.00009  -0.00020  -0.00029   1.92246
   A61        1.87799   0.00001   0.00003   0.00013   0.00017   1.87816
   A62        1.96038  -0.00003   0.00009   0.00000   0.00009   1.96047
   A63        1.88487   0.00000   0.00003   0.00003   0.00006   1.88493
   A64        1.89526   0.00002  -0.00009   0.00016   0.00006   1.89533
   A65        1.99685  -0.00003  -0.00002  -0.00013  -0.00015   1.99670
   A66        1.89502   0.00001  -0.00003  -0.00001  -0.00004   1.89498
   A67        1.89919   0.00001   0.00007   0.00005   0.00012   1.89931
   A68        1.91809   0.00001   0.00001   0.00001   0.00002   1.91811
   A69        1.92265   0.00001  -0.00003   0.00005   0.00001   1.92266
   A70        1.82383   0.00000   0.00001   0.00005   0.00005   1.82388
   A71        2.09429  -0.00001  -0.00002  -0.00003  -0.00005   2.09424
   A72        2.10351   0.00000   0.00003   0.00000   0.00003   2.10355
   A73        2.08536   0.00001  -0.00001   0.00003   0.00001   2.08537
   A74        2.09687   0.00000   0.00001  -0.00001   0.00000   2.09687
   A75        2.09738   0.00000   0.00000  -0.00001  -0.00001   2.09736
   A76        2.08882   0.00000  -0.00001   0.00002   0.00002   2.08883
   A77        2.09866   0.00000   0.00000   0.00000   0.00000   2.09866
   A78        2.09055   0.00000  -0.00001   0.00001   0.00000   2.09055
   A79        2.09397   0.00000   0.00001  -0.00001   0.00000   2.09397
   A80        2.08980   0.00000   0.00000   0.00000   0.00000   2.08980
   A81        2.09679   0.00000   0.00000  -0.00001   0.00000   2.09679
   A82        2.09658   0.00000   0.00000   0.00001   0.00000   2.09658
   A83        2.09917   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09286   0.00000  -0.00001   0.00001   0.00000   2.09286
   A85        2.09115   0.00000   0.00001   0.00000   0.00000   2.09115
   A86        2.09645   0.00000   0.00001  -0.00002  -0.00001   2.09644
   A87        2.09746   0.00000  -0.00001   0.00001   0.00000   2.09746
   A88        2.08926   0.00000   0.00000   0.00001   0.00001   2.08926
   A89        1.94464   0.00011   0.00005   0.00003   0.00008   1.94471
   A90        1.93500  -0.00004   0.00003  -0.00012  -0.00009   1.93491
   A91        1.90549  -0.00003   0.00001   0.00009   0.00011   1.90559
   A92        1.90691  -0.00003  -0.00015  -0.00008  -0.00023   1.90668
   A93        1.93509  -0.00004   0.00010   0.00001   0.00011   1.93520
   A94        1.83380   0.00002  -0.00004   0.00006   0.00003   1.83383
   A95        1.90734   0.00003  -0.00013   0.00002  -0.00012   1.90723
   A96        2.01389  -0.00002   0.00006  -0.00003   0.00003   2.01392
   A97        1.93732   0.00000   0.00010  -0.00007   0.00003   1.93735
   A98        1.77606  -0.00004  -0.00015   0.00006  -0.00009   1.77597
   A99        1.89171   0.00001   0.00032  -0.00008   0.00024   1.89195
   A100       1.92775   0.00002  -0.00019   0.00011  -0.00008   1.92766
   A101       1.92728   0.00001   0.00001   0.00005   0.00005   1.92733
   A102       1.95049   0.00003  -0.00011   0.00011   0.00000   1.95049
   A103       1.89003  -0.00001   0.00004   0.00005   0.00009   1.89012
   A104       1.90378  -0.00001   0.00002  -0.00002   0.00000   1.90378
   A105       1.95191  -0.00001   0.00010   0.00000   0.00010   1.95201
   A106       1.91857   0.00000   0.00009  -0.00006   0.00003   1.91860
   A107       1.84555   0.00000  -0.00015  -0.00010  -0.00024   1.84531
   A108       1.94986   0.00000  -0.00001   0.00003   0.00002   1.94988
   A109       1.91932   0.00000   0.00005  -0.00003   0.00002   1.91934
   A110       1.90982   0.00000   0.00011  -0.00003   0.00008   1.90990
   A111       1.92283   0.00000  -0.00013   0.00003  -0.00010   1.92272
   A112       1.92503  -0.00001  -0.00003  -0.00005  -0.00008   1.92494
   A113       1.83349   0.00000   0.00000   0.00006   0.00006   1.83356
   A114       2.09251  -0.00001  -0.00008  -0.00002  -0.00010   2.09241
   A115       2.10075   0.00000   0.00006   0.00001   0.00007   2.10082
   A116       2.08992   0.00000   0.00002   0.00001   0.00003   2.08995
   A117       2.09459   0.00000   0.00000  -0.00001  -0.00001   2.09458
   A118       2.08830   0.00000  -0.00004   0.00000  -0.00004   2.08826
   A119       2.10027   0.00000   0.00004   0.00001   0.00005   2.10032
   A120       2.09822   0.00000  -0.00002   0.00000  -0.00002   2.09820
   A121       2.09134   0.00000   0.00002  -0.00001   0.00001   2.09135
   A122       2.09363   0.00000   0.00000   0.00001   0.00000   2.09363
   A123       2.09127   0.00000   0.00001   0.00000   0.00001   2.09128
   A124       2.09562   0.00000  -0.00002   0.00002   0.00000   2.09561
   A125       2.09630   0.00000   0.00001  -0.00002   0.00000   2.09630
   A126       2.09868   0.00000   0.00001   0.00001   0.00001   2.09869
   A127       2.09329   0.00000   0.00001  -0.00002  -0.00001   2.09328
   A128       2.09121   0.00000  -0.00001   0.00001   0.00000   2.09121
   A129       2.09369   0.00000  -0.00002  -0.00001  -0.00003   2.09366
   A130       2.09890   0.00000   0.00001  -0.00001  -0.00001   2.09889
   A131       2.09060   0.00000   0.00001   0.00002   0.00003   2.09063
   A132       2.06982  -0.00007   0.00006  -0.00008  -0.00002   2.06980
   A133       1.97454   0.00001  -0.00009  -0.00014  -0.00022   1.97432
   A134       2.02222   0.00004   0.00006  -0.00023  -0.00016   2.02206
   A135       2.24965  -0.00001  -0.00002   0.00014   0.00012   2.24977
   A136       1.90702   0.00000   0.00017  -0.00019  -0.00002   1.90700
   A137       2.12539   0.00001  -0.00015   0.00006  -0.00009   2.12530
   A138       2.01983  -0.00003  -0.00032   0.00011  -0.00021   2.01962
   A139       1.92658  -0.00002  -0.00003  -0.00012  -0.00015   1.92643
   A140       1.75674   0.00000   0.00015   0.00000   0.00015   1.75690
   A141       1.88905   0.00002   0.00008   0.00011   0.00020   1.88925
   A142       1.98228   0.00002  -0.00002   0.00007   0.00005   1.98233
   A143       1.96709  -0.00001  -0.00011   0.00001  -0.00010   1.96699
   A144       1.92902  -0.00001  -0.00004  -0.00007  -0.00011   1.92891
   A145       2.27449  -0.00002   0.00017  -0.00013   0.00004   2.27452
   A146       2.09411   0.00001  -0.00015   0.00007  -0.00007   2.09404
   A147       1.91445   0.00001  -0.00002   0.00005   0.00003   1.91448
   A148       2.01242  -0.00003   0.00002  -0.00008  -0.00005   2.01236
   A149       2.21909   0.00001   0.00003  -0.00001   0.00001   2.21911
   A150       2.05164   0.00002  -0.00004   0.00009   0.00004   2.05168
   A151       1.94605   0.00000   0.00001   0.00002   0.00003   1.94608
   A152       1.98201  -0.00001   0.00000  -0.00005  -0.00004   1.98197
   A153       2.18164   0.00001   0.00003   0.00001   0.00004   2.18167
   A154       2.11882   0.00001  -0.00004   0.00005   0.00001   2.11884
   A155       1.56954   0.00003  -0.00001   0.00005   0.00004   1.56958
   A156       1.96648  -0.00002   0.00008  -0.00007   0.00000   1.96649
   A157       1.92496   0.00002   0.00002   0.00007   0.00009   1.92505
   A158       1.85678   0.00000   0.00002  -0.00003  -0.00001   1.85677
   A159       1.93417  -0.00002  -0.00027  -0.00007  -0.00034   1.93383
   A160       1.89052   0.00001   0.00007   0.00008   0.00015   1.89067
   A161       1.88732   0.00001   0.00010   0.00003   0.00013   1.88745
   A162       1.95506   0.00001   0.00015   0.00000   0.00014   1.95521
   A163       1.97022  -0.00003  -0.00023  -0.00006  -0.00030   1.96992
   A164       1.94298  -0.00002  -0.00016  -0.00005  -0.00021   1.94276
   A165       1.85524   0.00001   0.00008   0.00000   0.00008   1.85532
   A166       1.86689   0.00000  -0.00008  -0.00008  -0.00017   1.86673
   A167       1.86710   0.00004   0.00028   0.00021   0.00048   1.86758
   A168       1.93050   0.00001   0.00004   0.00001   0.00005   1.93055
   A169       1.96231   0.00000  -0.00013   0.00005  -0.00008   1.96224
   A170       1.96149   0.00000   0.00005  -0.00003   0.00002   1.96151
   A171       1.85706   0.00000   0.00005  -0.00004   0.00001   1.85707
   A172       1.86338   0.00000   0.00004   0.00000   0.00005   1.86343
   A173       1.88332   0.00000  -0.00004  -0.00001  -0.00005   1.88327
   A174       1.91627   0.00000   0.00000  -0.00001  -0.00001   1.91626
   A175       2.23768  -0.00002  -0.00004  -0.00008  -0.00012   2.23756
   A176       2.12920   0.00002   0.00003   0.00009   0.00013   2.12933
   A177       1.57958   0.00001   0.00001   0.00002   0.00003   1.57962
    D1        1.08591   0.00000   0.00039   0.00066   0.00105   1.08696
    D2       -3.04501   0.00000   0.00043   0.00066   0.00109  -3.04393
    D3       -0.99344   0.00000   0.00041   0.00067   0.00107  -0.99237
    D4       -3.11148   0.00000   0.00038   0.00067   0.00104  -3.11043
    D5       -0.95921   0.00000   0.00042   0.00067   0.00108  -0.95813
    D6        1.09236   0.00000   0.00040   0.00067   0.00107   1.09343
    D7       -1.00637   0.00000   0.00040   0.00063   0.00104  -1.00534
    D8        1.14589   0.00000   0.00044   0.00063   0.00107   1.14696
    D9       -3.08572   0.00000   0.00042   0.00064   0.00106  -3.08466
   D10        1.00046   0.00000  -0.00016   0.00028   0.00012   1.00058
   D11        3.10615   0.00000  -0.00015   0.00028   0.00014   3.10629
   D12       -1.09077   0.00000  -0.00015   0.00030   0.00015  -1.09063
   D13       -1.15054   0.00000  -0.00017   0.00032   0.00015  -1.15039
   D14        0.95515   0.00000  -0.00015   0.00031   0.00016   0.95531
   D15        3.04142   0.00000  -0.00016   0.00033   0.00017   3.04159
   D16        3.07953   0.00000  -0.00017   0.00027   0.00010   3.07963
   D17       -1.09797   0.00000  -0.00015   0.00026   0.00011  -1.09785
   D18        0.98829   0.00000  -0.00015   0.00028   0.00012   0.98842
   D19        2.04308   0.00000   0.00030  -0.00086  -0.00056   2.04252
   D20       -1.09895   0.00000   0.00027  -0.00078  -0.00051  -1.09946
   D21       -2.07395   0.00000   0.00029  -0.00086  -0.00057  -2.07452
   D22        1.06720   0.00000   0.00027  -0.00078  -0.00052   1.06669
   D23       -0.01453   0.00000   0.00030  -0.00084  -0.00054  -0.01506
   D24        3.12663   0.00000   0.00027  -0.00076  -0.00048   3.12614
   D25       -3.13737   0.00000  -0.00001   0.00005   0.00004  -3.13733
   D26        0.00463   0.00000   0.00002  -0.00002  -0.00001   0.00462
   D27        3.13859   0.00000   0.00001   0.00001   0.00002   3.13861
   D28       -0.00338   0.00000  -0.00001   0.00007   0.00006  -0.00332
   D29        3.13126   0.00000   0.00009  -0.00002   0.00008   3.13134
   D30       -0.00394   0.00000  -0.00001  -0.00006  -0.00007  -0.00402
   D31        1.91865   0.00001  -0.00188   0.00088  -0.00100   1.91765
   D32       -2.20236  -0.00001  -0.00192   0.00064  -0.00128  -2.20364
   D33       -0.18822   0.00000  -0.00187   0.00071  -0.00116  -0.18938
   D34       -1.23021   0.00001  -0.00175   0.00093  -0.00083  -1.23104
   D35        0.93196  -0.00001  -0.00179   0.00069  -0.00111   0.93086
   D36        2.94611   0.00000  -0.00175   0.00076  -0.00099   2.94512
   D37        0.00126   0.00000   0.00000   0.00012   0.00012   0.00138
   D38       -3.13141   0.00000   0.00024   0.00003   0.00027  -3.13115
   D39       -3.13321   0.00000  -0.00012   0.00007  -0.00005  -3.13326
   D40        0.01730   0.00000   0.00012  -0.00002   0.00010   0.01740
   D41       -1.24019  -0.00001  -0.00009   0.00016   0.00007  -1.24012
   D42        1.27934   0.00000   0.00039   0.00009   0.00048   1.27982
   D43        2.88093   0.00000  -0.00006   0.00038   0.00032   2.88124
   D44       -0.88273   0.00001   0.00042   0.00030   0.00073  -0.88200
   D45        0.89030   0.00000  -0.00016   0.00039   0.00023   0.89053
   D46       -2.87336   0.00000   0.00033   0.00032   0.00064  -2.87272
   D47       -1.20998   0.00001   0.00124   0.00164   0.00289  -1.20709
   D48        3.00549   0.00001   0.00123   0.00160   0.00283   3.00833
   D49        0.89324   0.00001   0.00124   0.00167   0.00291   0.89616
   D50        2.51458   0.00002   0.00079   0.00174   0.00253   2.51711
   D51        0.44686   0.00001   0.00079   0.00170   0.00248   0.44935
   D52       -1.66539   0.00002   0.00079   0.00177   0.00256  -1.66283
   D53       -2.77546  -0.00001  -0.00079  -0.00023  -0.00102  -2.77648
   D54        0.40676   0.00001  -0.00079  -0.00010  -0.00089   0.40587
   D55       -0.26340   0.00000  -0.00030  -0.00031  -0.00060  -0.26400
   D56        2.91882   0.00001  -0.00029  -0.00018  -0.00047   2.91835
   D57        2.84333  -0.00001  -0.00011  -0.00042  -0.00052   2.84280
   D58        0.38535   0.00000   0.00078   0.00017   0.00095   0.38629
   D59       -0.25832   0.00001  -0.00010  -0.00029  -0.00039  -0.25871
   D60       -2.71630   0.00002   0.00078   0.00029   0.00107  -2.71523
   D61       -1.42713   0.00001   0.00118   0.00105   0.00224  -1.42490
   D62        2.71465   0.00002   0.00121   0.00113   0.00234   2.71700
   D63        0.65484   0.00001   0.00126   0.00106   0.00232   0.65716
   D64        1.06041   0.00000   0.00034   0.00047   0.00080   1.06121
   D65       -1.08099   0.00001   0.00037   0.00055   0.00091  -1.08008
   D66       -3.14080   0.00000   0.00041   0.00048   0.00089  -3.13991
   D67       -0.54700   0.00001  -0.00005   0.00004  -0.00002  -0.54702
   D68        2.61988   0.00001   0.00047   0.00007   0.00054   2.62042
   D69        1.57004  -0.00001  -0.00006  -0.00004  -0.00011   1.56993
   D70       -1.54626  -0.00001   0.00046  -0.00001   0.00045  -1.54581
   D71       -2.60449   0.00000  -0.00004   0.00008   0.00004  -2.60445
   D72        0.56239   0.00000   0.00048   0.00012   0.00060   0.56299
   D73        1.23702   0.00001   0.00006  -0.00046  -0.00040   1.23663
   D74       -2.87477  -0.00001  -0.00022  -0.00055  -0.00077  -2.87554
   D75       -0.83201   0.00001  -0.00008  -0.00050  -0.00058  -0.83258
   D76       -0.89186  -0.00001   0.00012  -0.00046  -0.00034  -0.89220
   D77        1.27954  -0.00003  -0.00017  -0.00055  -0.00072   1.27882
   D78       -2.96089  -0.00001  -0.00002  -0.00050  -0.00052  -2.96141
   D79       -3.00586  -0.00001   0.00002  -0.00053  -0.00051  -3.00636
   D80       -0.83446  -0.00002  -0.00026  -0.00062  -0.00088  -0.83534
   D81        1.20830  -0.00001  -0.00012  -0.00057  -0.00068   1.20761
   D82       -3.14145  -0.00001  -0.00023  -0.00034  -0.00057   3.14117
   D83       -0.03542  -0.00003  -0.00069  -0.00069  -0.00138  -0.03680
   D84        0.02475  -0.00001   0.00028  -0.00030  -0.00002   0.02472
   D85        3.13078  -0.00003  -0.00018  -0.00065  -0.00084   3.12994
   D86        2.39760  -0.00003  -0.00071  -0.00006  -0.00077   2.39683
   D87       -1.71506  -0.00007  -0.00063  -0.00027  -0.00091  -1.71597
   D88        0.34821  -0.00003  -0.00078  -0.00012  -0.00089   0.34731
   D89       -0.71014  -0.00001  -0.00026   0.00027   0.00000  -0.71013
   D90        1.46039  -0.00005  -0.00019   0.00006  -0.00014   1.46025
   D91       -2.75952  -0.00001  -0.00034   0.00022  -0.00012  -2.75965
   D92        1.03570  -0.00001  -0.00036  -0.00060  -0.00095   1.03475
   D93       -1.11369   0.00000  -0.00033  -0.00051  -0.00084  -1.11453
   D94       -3.08895  -0.00001  -0.00036  -0.00059  -0.00095  -3.08990
   D95       -1.11292   0.00000  -0.00033  -0.00026  -0.00059  -1.11350
   D96        3.02087   0.00001  -0.00030  -0.00018  -0.00048   3.02040
   D97        1.04561   0.00000  -0.00033  -0.00025  -0.00058   1.04503
   D98        3.08081   0.00000  -0.00028  -0.00048  -0.00076   3.08005
   D99        0.93141   0.00000  -0.00025  -0.00039  -0.00065   0.93077
   D100      -1.04384  -0.00001  -0.00028  -0.00047  -0.00075  -1.04460
   D101       1.12238   0.00004   0.00020   0.00068   0.00088   1.12326
   D102      -1.00548   0.00003   0.00034   0.00084   0.00118  -1.00430
   D103      -3.01762   0.00004   0.00036   0.00078   0.00114  -3.01648
   D104      -3.01363   0.00000   0.00024   0.00040   0.00063  -3.01299
   D105       1.14169  -0.00001   0.00038   0.00056   0.00094   1.14263
   D106      -0.87045   0.00000   0.00040   0.00049   0.00090  -0.86955
   D107      -0.93023   0.00000   0.00026   0.00054   0.00080  -0.92943
   D108      -3.05810  -0.00001   0.00041   0.00070   0.00111  -3.05699
   D109       1.21295   0.00000   0.00043   0.00064   0.00107   1.21401
   D110      -1.63828   0.00000  -0.00064   0.00002  -0.00062  -1.63889
   D111       1.51172   0.00000  -0.00063  -0.00009  -0.00072   1.51100
   D112       0.49862   0.00000  -0.00068  -0.00008  -0.00076   0.49786
   D113      -2.63456  -0.00001  -0.00068  -0.00018  -0.00086  -2.63543
   D114       2.49901   0.00000  -0.00069   0.00001  -0.00068   2.49833
   D115      -0.63417   0.00000  -0.00068  -0.00010  -0.00078  -0.63496
   D116       3.13973   0.00000   0.00002  -0.00003  -0.00001   3.13972
   D117      -0.01860   0.00000   0.00008   0.00001   0.00009  -0.01851
   D118      -0.01019   0.00000   0.00001   0.00008   0.00009  -0.01009
   D119       3.11467   0.00000   0.00008   0.00012   0.00020   3.11486
   D120      -3.13922   0.00000   0.00001   0.00004   0.00004  -3.13918
   D121       0.00995   0.00000   0.00002   0.00002   0.00004   0.00999
   D122       0.01074   0.00000   0.00001  -0.00007  -0.00006   0.01068
   D123      -3.12328   0.00000   0.00003  -0.00009  -0.00006  -3.12334
   D124       0.00180   0.00000  -0.00002  -0.00004  -0.00006   0.00174
   D125       3.13815   0.00000  -0.00002  -0.00002  -0.00005   3.13810
   D126      -3.12313   0.00000  -0.00009  -0.00007  -0.00016  -3.12329
   D127       0.01321   0.00000  -0.00009  -0.00006  -0.00015   0.01306
   D128       0.00607   0.00000   0.00001  -0.00002  -0.00001   0.00607
   D129       3.14129   0.00000  -0.00001   0.00003   0.00002   3.14131
   D130      -3.13026   0.00000   0.00001  -0.00003  -0.00002  -3.13028
   D131       0.00496   0.00000  -0.00001   0.00002   0.00001   0.00497
   D132      -0.00552   0.00000   0.00002   0.00002   0.00004  -0.00548
   D133       3.13303   0.00000   0.00001   0.00005   0.00006   3.13309
   D134      -3.14073   0.00000   0.00003  -0.00002   0.00001  -3.14072
   D135      -0.00219   0.00000   0.00003   0.00001   0.00003  -0.00216
   D136      -0.00292   0.00000  -0.00003   0.00002  -0.00001  -0.00293
   D137       3.13113   0.00000  -0.00004   0.00003  -0.00001   3.13112
   D138      -3.14147   0.00000  -0.00002  -0.00001  -0.00003  -3.14150
   D139      -0.00742   0.00000  -0.00004   0.00001  -0.00003  -0.00744
   D140      -1.83317  -0.00002  -0.00166  -0.00108  -0.00274  -1.83590
   D141       2.46219   0.00001  -0.00142  -0.00115  -0.00257   2.45962
   D142       0.25231   0.00000  -0.00129  -0.00121  -0.00250   0.24981
   D143       0.31088  -0.00002  -0.00170  -0.00126  -0.00296   0.30792
   D144      -1.67695   0.00001  -0.00146  -0.00133  -0.00279  -1.67974
   D145       2.39636   0.00000  -0.00133  -0.00140  -0.00272   2.39363
   D146       2.32390  -0.00004  -0.00177  -0.00123  -0.00300   2.32090
   D147       0.33607   0.00000  -0.00153  -0.00130  -0.00283   0.33324
   D148      -1.87381  -0.00001  -0.00140  -0.00136  -0.00276  -1.87657
   D149       1.18024   0.00002   0.00217   0.00077   0.00294   1.18318
   D150      -2.96551  -0.00001   0.00210   0.00078   0.00287  -2.96264
   D151      -0.93319   0.00000   0.00193   0.00090   0.00283  -0.93036
   D152      -0.95883   0.00001   0.00048   0.00016   0.00064  -0.95819
   D153      -3.11641   0.00001   0.00040   0.00005   0.00045  -3.11597
   D154       1.16619   0.00002   0.00054   0.00015   0.00068   1.16687
   D155      -3.02138   0.00000   0.00071   0.00011   0.00082  -3.02056
   D156       1.10422   0.00000   0.00063   0.00000   0.00063   1.10485
   D157      -0.89636   0.00001   0.00077   0.00010   0.00087  -0.89549
   D158       1.25590   0.00000   0.00050   0.00013   0.00063   1.25652
   D159      -0.90169   0.00001   0.00042   0.00002   0.00044  -0.90125
   D160      -2.90227   0.00001   0.00056   0.00012   0.00067  -2.90159
   D161       3.00263   0.00001   0.00013   0.00062   0.00075   3.00339
   D162      -1.13976   0.00001   0.00000   0.00066   0.00066  -1.13910
   D163       0.86570   0.00001   0.00010   0.00069   0.00079   0.86649
   D164      -1.15830   0.00000   0.00018   0.00077   0.00094  -1.15736
   D165       0.98249   0.00000   0.00004   0.00080   0.00085   0.98333
   D166       2.98795   0.00000   0.00014   0.00084   0.00098   2.98893
   D167       0.88616   0.00000   0.00011   0.00061   0.00072   0.88688
   D168       3.02695   0.00000  -0.00002   0.00064   0.00063   3.02758
   D169      -1.25077   0.00000   0.00008   0.00068   0.00076  -1.25001
   D170       1.13191   0.00003   0.00103   0.00039   0.00142   1.13334
   D171      -1.32264   0.00004   0.00095   0.00108   0.00203  -1.32060
   D172      -1.02481   0.00001   0.00108   0.00021   0.00129  -1.02352
   D173       2.80382   0.00002   0.00100   0.00090   0.00190   2.80572
   D174      -3.11276   0.00001   0.00101   0.00034   0.00135  -3.11142
   D175       0.71587   0.00003   0.00092   0.00103   0.00196   0.71783
   D176       1.68480   0.00000   0.00017   0.00088   0.00105   1.68585
   D177      -1.46034   0.00000   0.00019   0.00082   0.00101  -1.45933
   D178      -0.45399   0.00001   0.00020   0.00088   0.00108  -0.45291
   D179       2.68405   0.00000   0.00022   0.00082   0.00104   2.68509
   D180      -2.47018   0.00001   0.00029   0.00082   0.00111  -2.46907
   D181       0.66786   0.00001   0.00031   0.00076   0.00107   0.66893
   D182       3.13506   0.00000   0.00001  -0.00014  -0.00012   3.13493
   D183      -0.01407   0.00000  -0.00001  -0.00018  -0.00019  -0.01426
   D184      -0.00301   0.00000  -0.00001  -0.00008  -0.00009  -0.00310
   D185       3.13105   0.00000  -0.00004  -0.00012  -0.00016   3.13090
   D186      -3.13488   0.00000  -0.00002   0.00011   0.00010  -3.13478
   D187       0.00749   0.00000  -0.00003   0.00013   0.00010   0.00759
   D188       0.00317   0.00000   0.00001   0.00005   0.00006   0.00323
   D189      -3.13765   0.00000   0.00000   0.00007   0.00007  -3.13759
   D190       0.00044   0.00000   0.00001   0.00005   0.00005   0.00050
   D191       3.14086   0.00000   0.00000   0.00005   0.00005   3.14091
   D192      -3.13356   0.00000   0.00004   0.00009   0.00012  -3.13344
   D193       0.00685   0.00000   0.00003   0.00009   0.00012   0.00697
   D194       0.00197   0.00000   0.00000   0.00002   0.00001   0.00198
   D195      -3.14073   0.00000  -0.00002   0.00001  -0.00001  -3.14074
   D196      -3.13845   0.00000   0.00000   0.00001   0.00001  -3.13844
   D197       0.00204   0.00000  -0.00001   0.00001  -0.00001   0.00203
   D198      -0.00180   0.00000   0.00000  -0.00004  -0.00004  -0.00184
   D199       3.13960   0.00000   0.00000  -0.00004  -0.00005   3.13956
   D200       3.14090   0.00000   0.00002  -0.00004  -0.00002   3.14087
   D201      -0.00089   0.00000   0.00002  -0.00004  -0.00003  -0.00091
   D202      -0.00077   0.00000   0.00000   0.00001   0.00001  -0.00076
   D203       3.14006   0.00000   0.00001  -0.00001   0.00000   3.14005
   D204       3.14101   0.00000   0.00000   0.00001   0.00001   3.14102
   D205      -0.00135   0.00000   0.00001  -0.00001   0.00000  -0.00134
   D206       0.56358   0.00002  -0.00022   0.00077   0.00055   0.56413
   D207      -2.62879   0.00005  -0.00042   0.00107   0.00065  -2.62814
   D208       2.99997   0.00000  -0.00019   0.00010  -0.00009   2.99988
   D209      -0.19240   0.00002  -0.00040   0.00040   0.00000  -0.19240
   D210       3.10040  -0.00001  -0.00014   0.00027   0.00014   3.10054
   D211      -0.08768   0.00001  -0.00032   0.00055   0.00023  -0.08745
   D212      -1.14767   0.00000  -0.00001  -0.00066  -0.00067  -1.14834
   D213       3.03640  -0.00001  -0.00005  -0.00069  -0.00074   3.03566
   D214       1.01268   0.00000  -0.00011  -0.00066  -0.00076   1.01192
   D215      -2.05251   0.00001   0.00014  -0.00001   0.00014  -2.05238
   D216       1.06921   0.00000   0.00012  -0.00033  -0.00021   1.06900
   D217      -0.09478   0.00001   0.00030  -0.00005   0.00026  -0.09452
   D218       3.02695   0.00000   0.00028  -0.00037  -0.00009   3.02686
   D219       2.11612   0.00000   0.00013  -0.00007   0.00006   2.11619
   D220      -1.04534  -0.00001   0.00011  -0.00040  -0.00028  -1.04562
   D221       3.13875  -0.00001   0.00012  -0.00026  -0.00015   3.13860
   D222      -0.01182   0.00000   0.00054  -0.00044   0.00010  -0.01172
   D223       0.01543   0.00000   0.00013   0.00004   0.00017   0.01560
   D224      -3.13513   0.00001   0.00056  -0.00014   0.00042  -3.13471
   D225       3.13774   0.00001  -0.00006   0.00032   0.00026   3.13800
   D226      -0.01994   0.00000  -0.00008   0.00006  -0.00002  -0.01996
   D227       0.00043   0.00000  -0.00013  -0.00014  -0.00028   0.00015
   D228      -3.13309   0.00000  -0.00052   0.00001  -0.00050  -3.13359
   D229      -0.01643   0.00000   0.00007   0.00019   0.00026  -0.01618
   D230      -3.11764  -0.00001   0.00028  -0.00030  -0.00002  -3.11765
   D231       0.02139   0.00000   0.00000  -0.00014  -0.00014   0.02125
   D232       3.12422   0.00001  -0.00020   0.00032   0.00012   3.12434
   D233      -0.98611   0.00000   0.00312  -0.00104   0.00208  -0.98403
   D234       1.10742   0.00000   0.00316  -0.00109   0.00207   1.10949
   D235      -3.07558   0.00001   0.00324  -0.00090   0.00234  -3.07324
   D236       3.13075   0.00000   0.00324  -0.00103   0.00222   3.13296
   D237      -1.05891   0.00000   0.00328  -0.00107   0.00221  -1.05669
   D238       1.04128   0.00001   0.00336  -0.00088   0.00248   1.04376
   D239       1.06307  -0.00001   0.00324  -0.00107   0.00216   1.06524
   D240      -3.12658  -0.00001   0.00328  -0.00112   0.00216  -3.12442
   D241      -1.02640   0.00000   0.00335  -0.00093   0.00243  -1.02397
   D242       2.96380   0.00001  -0.00035  -0.00001  -0.00036   2.96344
   D243      -1.24608   0.00001  -0.00034  -0.00002  -0.00036  -1.24644
   D244       0.88304   0.00000  -0.00046  -0.00001  -0.00047   0.88257
   D245      -1.12954  -0.00001  -0.00043  -0.00011  -0.00054  -1.13007
   D246       0.94376  -0.00001  -0.00042  -0.00011  -0.00054   0.94323
   D247       3.07288  -0.00002  -0.00054  -0.00010  -0.00064   3.07224
   D248       0.94008   0.00000  -0.00045  -0.00003  -0.00047   0.93961
   D249       3.01338   0.00000  -0.00044  -0.00003  -0.00047   3.01291
   D250      -1.14068  -0.00001  -0.00056  -0.00002  -0.00058  -1.14126
   D251       0.00108   0.00000   0.00001  -0.00010  -0.00010   0.00099
   D252       3.13442   0.00000  -0.00021  -0.00003  -0.00024   3.13418
         Item               Value     Threshold  Converged?
 Maximum Force            0.000113     0.000450     YES
 RMS     Force            0.000018     0.000300     YES
 Maximum Displacement     0.015967     0.001800     NO 
 RMS     Displacement     0.003361     0.001200     NO 
 Predicted change in Energy=-7.671301D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.772059   -2.050893    0.951534
      2          6           0       -9.316462   -1.004367   -0.070082
      3          6           0      -10.086554    0.311021    0.080580
      4          6           0       -7.844396   -0.765204    0.052629
      5          7           0       -6.934857   -1.000258   -0.862018
      6          6           0       -5.626807   -0.665970   -0.422285
      7          6           0       -4.491476   -0.902966   -1.378243
      8          7           0       -3.892903    0.349867   -1.904995
      9          6           0       -4.768246    1.079777   -2.863937
     10          6           0       -3.071911    1.172071   -1.091019
     11          8           0       -2.878551    2.355621   -1.349057
     12          7           0       -2.426407    0.561835    0.026304
     13          6           0       -1.294072    1.315925    0.611291
     14          6           0       -0.009143    1.071378   -0.207921
     15          8           0        0.227962    0.022144   -0.796727
     16          7           0        0.904382    2.119636   -0.218007
     17          6           0        2.188494    2.024815   -0.965990
     18          6           0        2.465663    3.349546   -1.710580
     19          6           0        2.559154    4.555974   -0.818094
     20          6           0        1.423268    5.348772   -0.588334
     21          6           0        1.506047    6.469304    0.242265
     22          6           0        2.719867    6.809135    0.847681
     23          6           0        3.855010    6.026726    0.613154
     24          6           0        3.778433    4.905343   -0.217143
     25          6           0        3.334997    1.640208   -0.007251
     26          6           0        3.126375    0.240952    0.581938
     27          8           0        2.699455    0.361145    1.956051
     28          6           0        4.414860   -0.622681    0.724321
     29          6           0        5.164520   -0.752196   -0.611617
     30          6           0        6.500309   -1.420330   -0.437633
     31          6           0        6.630343   -2.796805   -0.678354
     32          6           0        7.871552   -3.418522   -0.525278
     33          6           0        8.988455   -2.673581   -0.131508
     34          6           0        8.859458   -1.302727    0.111470
     35          6           0        7.620012   -0.674417   -0.039746
     36          7           0        4.026470   -1.958598    1.276776
     37          6           0        3.212195   -2.789632    0.505078
     38          8           0        3.159525   -2.897994   -0.710477
     39          8           0        2.447602   -3.589577    1.344362
     40          6           0        1.498495   -4.483353    0.678847
     41          6           0        0.451187   -3.701937   -0.007203
     42          6           0       -0.901609   -3.663867    0.196314
     43          7           0       -1.613862   -2.789116   -0.649660
     44          6           0       -0.808081   -2.166225   -1.491075
     45         16           0        0.886322   -2.590919   -1.286495
     46          6           0       -1.111600    0.888824    2.097368
     47          6           0       -0.560292   -0.529045    2.239182
     48          6           0       -0.221623    1.894684    2.833869
     49          6           0       -5.549341   -0.165037    0.845795
     50         16           0       -7.135438   -0.094316    1.547834
     51          1           0      -10.828165   -2.306055    0.804546
     52          1           0       -9.194553   -2.979466    0.858331
     53          1           0       -9.664874   -1.699639    1.984585
     54          1           0       -9.512000   -1.411752   -1.103425
     55          1           0       -9.993484    0.736116    1.087012
     56          1           0       -9.731221    1.067856   -0.629985
     57          1           0      -11.156077    0.160871   -0.108667
     58          1           0       -3.702439   -1.531656   -0.890790
     59          1           0       -4.844999   -1.506027   -2.254207
     60          1           0       -4.840664    0.489634   -3.792211
     61          1           0       -4.328590    2.064721   -3.112633
     62          1           0       -5.784005    1.245816   -2.469161
     63          1           0       -2.286100   -0.458764    0.011898
     64          1           0       -1.565206    2.412629    0.572844
     65          1           0        0.715763    2.999377    0.258167
     66          1           0        2.074887    1.207414   -1.738096
     67          1           0        1.667628    3.502211   -2.471792
     68          1           0        3.397870    3.238975   -2.303435
     69          1           0        0.476676    5.102116   -1.069218
     70          1           0        0.621708    7.082235    0.413865
     71          1           0        2.782417    7.682251    1.493967
     72          1           0        4.803882    6.293421    1.076971
     73          1           0        4.669384    4.308893   -0.401029
     74          1           0        3.422697    2.376080    0.819540
     75          1           0        4.300011    1.700481   -0.550505
     76          1           0        2.339155   -0.320651    0.014601
     77          1           0        1.787977    0.755429    2.003016
     78          1           0        5.086487   -0.156526    1.497316
     79          1           0        4.541636   -1.321181   -1.345443
     80          1           0        5.293358    0.255257   -1.062344
     81          1           0        5.756143   -3.377437   -0.978074
     82          1           0        7.968872   -4.486684   -0.712204
     83          1           0        9.953937   -3.159992   -0.013824
     84          1           0        9.726695   -0.721778    0.419724
     85          1           0        7.527962    0.391226    0.152478
     86          1           0        3.815897   -1.933743    2.285339
     87          1           0        1.122308   -5.064974    1.545081
     88          1           0        2.065561   -5.139117   -0.012960
     89          1           0       -1.470809   -4.233060    0.923165
     90          1           0       -1.122201   -1.428759   -2.224265
     91          1           0       -2.133146    0.918830    2.563394
     92          1           0       -1.188846   -1.268744    1.725091
     93          1           0        0.450616   -0.638423    1.820163
     94          1           0       -0.505721   -0.831938    3.291365
     95          1           0       -0.235322    1.703679    3.915643
     96          1           0        0.833297    1.831652    2.519953
     97          1           0       -0.554178    2.928600    2.691307
     98          1           0       -4.672215    0.161906    1.381323
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0813537      0.0289507      0.0233420
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.7660187989 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258572425912     A.U. after   12 cycles
             Convg  =    0.6215D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000047    0.000002113   -0.000002058
      2        6          -0.000007807    0.000001808   -0.000003864
      3        6          -0.000004513    0.000000850   -0.000002025
      4        6           0.000011341   -0.000031815    0.000027326
      5        7          -0.000005299    0.000003794   -0.000008358
      6        6           0.000016365    0.000025083   -0.000024304
      7        6          -0.000012101    0.000030859    0.000032627
      8        7          -0.000011829   -0.000044736   -0.000023797
      9        6          -0.000016309    0.000014807   -0.000004613
     10        6           0.000050102    0.000001797   -0.000061377
     11        8          -0.000008332    0.000017790    0.000026368
     12        7          -0.000010054   -0.000039752    0.000045722
     13        6          -0.000015610   -0.000003158    0.000020908
     14        6           0.000023206   -0.000026969   -0.000003301
     15        8           0.000006885    0.000028693   -0.000005385
     16        7           0.000013327   -0.000021653    0.000036002
     17        6          -0.000012819    0.000023886   -0.000044306
     18        6          -0.000009416    0.000021870   -0.000000794
     19        6          -0.000006164   -0.000020889   -0.000000508
     20        6           0.000011694   -0.000008284    0.000000725
     21        6           0.000000845    0.000010961   -0.000000254
     22        6          -0.000011175   -0.000001343    0.000002891
     23        6           0.000011045   -0.000005589   -0.000001442
     24        6          -0.000000777    0.000010229   -0.000003876
     25        6          -0.000043185   -0.000006245   -0.000009740
     26        6          -0.000039951    0.000007214    0.000044549
     27        8          -0.000055987   -0.000000613    0.000019829
     28        6           0.000036774    0.000007545   -0.000037532
     29        6           0.000005550    0.000007994    0.000000761
     30        6          -0.000008013   -0.000006420    0.000001708
     31        6          -0.000000046    0.000011730   -0.000003765
     32        6          -0.000004139   -0.000005486   -0.000001010
     33        6           0.000001613    0.000006073    0.000002642
     34        6           0.000003038   -0.000000934   -0.000002389
     35        6           0.000000493   -0.000002805    0.000002547
     36        7           0.000007304    0.000014842   -0.000000114
     37        6          -0.000049382   -0.000024854   -0.000018140
     38        8          -0.000009767   -0.000004639    0.000007418
     39        8           0.000018831   -0.000035513   -0.000019298
     40        6           0.000016996    0.000011036    0.000057608
     41        6          -0.000041750   -0.000002517   -0.000107832
     42        6           0.000052701    0.000009862    0.000037430
     43        7          -0.000002548   -0.000023059    0.000020025
     44        6          -0.000034172    0.000001189   -0.000015850
     45       16           0.000047299    0.000016883    0.000053036
     46        6          -0.000000067   -0.000007230   -0.000024756
     47        6          -0.000012770   -0.000008192   -0.000014348
     48        6          -0.000018716    0.000022977    0.000008549
     49        6           0.000017313   -0.000004296    0.000023988
     50       16          -0.000009094    0.000018961   -0.000021045
     51        1           0.000000600    0.000000224   -0.000000520
     52        1          -0.000000511   -0.000002242   -0.000000350
     53        1          -0.000000340    0.000000610   -0.000001677
     54        1           0.000000512    0.000001098    0.000001413
     55        1          -0.000001889   -0.000000202   -0.000000149
     56        1          -0.000001795   -0.000000666    0.000001759
     57        1          -0.000000072   -0.000000135    0.000001904
     58        1           0.000014376   -0.000000736   -0.000015971
     59        1           0.000000891   -0.000014952    0.000004393
     60        1           0.000015030    0.000001757    0.000012852
     61        1          -0.000013736    0.000001653    0.000009266
     62        1           0.000005541   -0.000008964   -0.000000990
     63        1          -0.000012317    0.000021316    0.000010146
     64        1          -0.000000849    0.000016319   -0.000005548
     65        1          -0.000006556    0.000003124    0.000009922
     66        1          -0.000004653   -0.000000387    0.000005398
     67        1          -0.000000778   -0.000000396   -0.000007489
     68        1           0.000002132   -0.000002881    0.000000718
     69        1          -0.000001072    0.000001396   -0.000000001
     70        1          -0.000000618   -0.000001739   -0.000001320
     71        1           0.000000893    0.000000058   -0.000000487
     72        1          -0.000001524    0.000000658    0.000000260
     73        1           0.000000136   -0.000000593    0.000000068
     74        1           0.000020671   -0.000003097    0.000001366
     75        1           0.000010363   -0.000011597    0.000020091
     76        1           0.000022829   -0.000003642    0.000006990
     77        1           0.000044551    0.000008420   -0.000017137
     78        1          -0.000008188   -0.000000670   -0.000000337
     79        1           0.000007665   -0.000007143   -0.000001058
     80        1          -0.000006185    0.000000746    0.000006974
     81        1          -0.000002964   -0.000002481    0.000002536
     82        1           0.000001398    0.000000141   -0.000001152
     83        1          -0.000000739   -0.000002019   -0.000001514
     84        1          -0.000001405    0.000000521    0.000001516
     85        1           0.000000333    0.000001088    0.000002180
     86        1           0.000017170    0.000001768    0.000002254
     87        1          -0.000019028   -0.000004768   -0.000029031
     88        1           0.000002367    0.000004363    0.000002108
     89        1          -0.000010146    0.000005418   -0.000013446
     90        1          -0.000000583    0.000007118   -0.000001176
     91        1           0.000004567    0.000004326    0.000006014
     92        1           0.000003543   -0.000006190    0.000002381
     93        1           0.000006346    0.000012982   -0.000013064
     94        1           0.000011438    0.000005503    0.000001452
     95        1           0.000004764   -0.000003403   -0.000000935
     96        1           0.000018920   -0.000009936    0.000005149
     97        1          -0.000002290   -0.000001145   -0.000009609
     98        1          -0.000009776   -0.000004478   -0.000002725
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000107832 RMS     0.000017599

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000077761 RMS     0.000012293
 Search for a local minimum.
 Step number  83 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   69   70   73   72   74
                                                     75   76   77   78   79
                                                     80   81   82   83
 DE= -1.10D-06 DEPred=-7.67D-07 R= 1.43D+00
 SS=  1.41D+00  RLast= 1.72D-02 DXNew= 5.6361D-01 5.1503D-02
 Trust test= 1.43D+00 RLast= 1.72D-02 DXMaxT set to 3.35D-01
     Eigenvalues ---    0.00074   0.00102   0.00195   0.00221   0.00229
     Eigenvalues ---    0.00260   0.00332   0.00399   0.00448   0.00579
     Eigenvalues ---    0.00599   0.00667   0.00705   0.00768   0.00853
     Eigenvalues ---    0.00903   0.00978   0.01063   0.01180   0.01238
     Eigenvalues ---    0.01295   0.01412   0.01414   0.01457   0.01488
     Eigenvalues ---    0.01512   0.01618   0.01704   0.01739   0.01756
     Eigenvalues ---    0.01929   0.02032   0.02109   0.02189   0.02194
     Eigenvalues ---    0.02203   0.02219   0.02249   0.02258   0.02270
     Eigenvalues ---    0.02292   0.02328   0.02370   0.02402   0.02408
     Eigenvalues ---    0.02410   0.02416   0.02449   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02570   0.02676   0.02702
     Eigenvalues ---    0.02929   0.02945   0.03364   0.03905   0.04012
     Eigenvalues ---    0.04088   0.04146   0.04185   0.04351   0.04470
     Eigenvalues ---    0.04600   0.04740   0.04941   0.04965   0.05085
     Eigenvalues ---    0.05173   0.05188   0.05280   0.05378   0.05423
     Eigenvalues ---    0.05479   0.05504   0.05522   0.05571   0.05638
     Eigenvalues ---    0.05722   0.05743   0.05823   0.05850   0.05904
     Eigenvalues ---    0.05983   0.06038   0.06135   0.06222   0.06329
     Eigenvalues ---    0.06508   0.06761   0.06905   0.07089   0.07172
     Eigenvalues ---    0.07532   0.08285   0.08454   0.08630   0.08750
     Eigenvalues ---    0.09291   0.09621   0.09892   0.10338   0.11534
     Eigenvalues ---    0.12089   0.12906   0.13130   0.13321   0.13434
     Eigenvalues ---    0.13827   0.14084   0.14599   0.15540   0.15628
     Eigenvalues ---    0.15735   0.15853   0.15958   0.15975   0.15980
     Eigenvalues ---    0.15984   0.15986   0.15996   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16001   0.16004   0.16011   0.16017   0.16021
     Eigenvalues ---    0.16057   0.16065   0.16087   0.16104   0.16163
     Eigenvalues ---    0.16243   0.16536   0.16839   0.16894   0.17351
     Eigenvalues ---    0.17888   0.18006   0.18287   0.18808   0.19173
     Eigenvalues ---    0.19760   0.20447   0.20635   0.21011   0.21819
     Eigenvalues ---    0.21867   0.22000   0.22001   0.22003   0.22117
     Eigenvalues ---    0.22155   0.22445   0.22767   0.23155   0.23424
     Eigenvalues ---    0.23496   0.23612   0.23712   0.24096   0.24265
     Eigenvalues ---    0.24389   0.24637   0.24792   0.25007   0.25091
     Eigenvalues ---    0.25215   0.25333   0.25722   0.26335   0.27440
     Eigenvalues ---    0.28314   0.29425   0.29778   0.29926   0.29973
     Eigenvalues ---    0.30138   0.30291   0.30406   0.30553   0.30694
     Eigenvalues ---    0.30836   0.30882   0.31277   0.31394   0.31433
     Eigenvalues ---    0.31459   0.31505   0.31563   0.31671   0.31886
     Eigenvalues ---    0.31984   0.32113   0.32359   0.32436   0.32507
     Eigenvalues ---    0.32613   0.32705   0.32776   0.32864   0.32915
     Eigenvalues ---    0.33023   0.33042   0.33069   0.33153   0.33200
     Eigenvalues ---    0.33245   0.33396   0.33542   0.33669   0.33693
     Eigenvalues ---    0.33772   0.33889   0.33943   0.33990   0.33999
     Eigenvalues ---    0.34118   0.34228   0.34260   0.34318   0.34333
     Eigenvalues ---    0.34489   0.34564   0.34689   0.34759   0.35445
     Eigenvalues ---    0.35706   0.36245   0.36313   0.36377   0.36569
     Eigenvalues ---    0.36627   0.36839   0.36911   0.37035   0.37604
     Eigenvalues ---    0.38333   0.38637   0.39273   0.40228   0.40856
     Eigenvalues ---    0.41131   0.41834   0.42494   0.42929   0.43121
     Eigenvalues ---    0.43382   0.43998   0.44449   0.45229   0.45553
     Eigenvalues ---    0.46070   0.47500   0.47611   0.48358   0.48459
     Eigenvalues ---    0.48629   0.48952   0.49221   0.49417   0.50308
     Eigenvalues ---    0.50990   0.51200   0.51365   0.51815   0.56110
     Eigenvalues ---    0.56570   0.58809   0.59953   0.62300   0.62990
     Eigenvalues ---    0.65276   0.68344   0.77589   0.79047   0.85335
     Eigenvalues ---    1.45399   1.83995   4.150901000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    83   82   81   80   79
 RFO step:  Lambda=-1.61585949D-07.
 DIIS coeffs:      1.50063     -0.31047     -0.33696      0.12122      0.02558
 Iteration  1 RMS(Cart)=  0.00273469 RMS(Int)=  0.00000133
 Iteration  2 RMS(Cart)=  0.00000334 RMS(Int)=  0.00000011
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000011
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89473   0.00000   0.00000  -0.00001   0.00000   2.89473
    R2        2.07188   0.00000   0.00001   0.00000   0.00000   2.07188
    R3        2.07392   0.00000   0.00000   0.00000   0.00000   2.07392
    R4        2.07187   0.00000   0.00000   0.00000   0.00000   2.07187
    R5        2.89442  -0.00001   0.00001  -0.00003  -0.00002   2.89440
    R6        2.82780  -0.00001  -0.00001  -0.00002  -0.00004   2.82776
    R7        2.13129   0.00000   0.00000   0.00000   0.00000   2.13129
    R8        2.07205   0.00000   0.00000   0.00000   0.00000   2.07205
    R9        2.07351   0.00000   0.00000   0.00000   0.00000   2.07350
   R10        2.07202   0.00000   0.00001   0.00000   0.00001   2.07203
   R11        2.47770   0.00001   0.00001   0.00002   0.00003   2.47773
   R12        3.37429  -0.00002   0.00000  -0.00008  -0.00008   3.37421
   R13        2.68322  -0.00001  -0.00004  -0.00002  -0.00006   2.68316
   R14        2.84025   0.00000  -0.00003   0.00003   0.00000   2.84025
   R15        2.58068   0.00001   0.00002   0.00003   0.00005   2.58072
   R16        2.80632   0.00002  -0.00001   0.00005   0.00004   2.80636
   R17        2.11737  -0.00002  -0.00006  -0.00002  -0.00007   2.11729
   R18        2.11782  -0.00002  -0.00002  -0.00001  -0.00003   2.11779
   R19        2.81472  -0.00002   0.00000  -0.00006  -0.00005   2.81467
   R20        2.68088  -0.00001  -0.00010  -0.00004  -0.00014   2.68074
   R21        2.08316  -0.00001  -0.00002  -0.00002  -0.00004   2.08313
   R22        2.09177  -0.00001   0.00000  -0.00002  -0.00002   2.09175
   R23        2.08315   0.00000   0.00001   0.00001   0.00002   2.08317
   R24        2.31810  -0.00003  -0.00003  -0.00003  -0.00006   2.31805
   R25        2.69740   0.00004   0.00015   0.00009   0.00024   2.69764
   R26        2.79848   0.00000   0.00005   0.00000   0.00005   2.79853
   R27        1.94698   0.00003   0.00012   0.00007   0.00019   1.94718
   R28        2.91652   0.00000  -0.00001  -0.00001  -0.00002   2.91651
   R29        2.94223  -0.00004  -0.00007  -0.00005  -0.00013   2.94211
   R30        2.13610  -0.00001  -0.00008  -0.00002  -0.00010   2.13601
   R31        2.31737   0.00002   0.00002   0.00000   0.00002   2.31739
   R32        2.62765   0.00002  -0.00010   0.00006  -0.00005   2.62761
   R33        2.81399   0.00005  -0.00003   0.00009   0.00007   2.81405
   R34        1.92368  -0.00001   0.00002  -0.00003  -0.00001   1.92368
   R35        2.91909   0.00001  -0.00006   0.00005   0.00000   2.91909
   R36        2.91629   0.00003  -0.00001   0.00009   0.00008   2.91637
   R37        2.13564   0.00000   0.00001   0.00001   0.00002   2.13566
   R38        2.84135   0.00002   0.00001   0.00006   0.00007   2.84142
   R39        2.10398   0.00000   0.00000   0.00001   0.00001   2.10399
   R40        2.09812   0.00000  -0.00002   0.00000  -0.00002   2.09810
   R41        2.65340   0.00001  -0.00001   0.00003   0.00002   2.65342
   R42        2.65225  -0.00001  -0.00001  -0.00001  -0.00002   2.65223
   R43        2.64044  -0.00001   0.00000  -0.00001  -0.00002   2.64042
   R44        2.05982   0.00000   0.00001   0.00000   0.00001   2.05984
   R45        2.64249   0.00000   0.00000   0.00002   0.00001   2.64250
   R46        2.05901   0.00000   0.00000   0.00000   0.00000   2.05901
   R47        2.64273  -0.00001   0.00000  -0.00001  -0.00002   2.64271
   R48        2.05618   0.00000   0.00000   0.00000   0.00000   2.05618
   R49        2.64072   0.00000   0.00000   0.00002   0.00001   2.64074
   R50        2.05851   0.00000   0.00000   0.00000   0.00000   2.05851
   R51        2.05569   0.00000   0.00000   0.00000   0.00000   2.05569
   R52        2.89602   0.00000   0.00008   0.00001   0.00009   2.89611
   R53        2.09818   0.00001   0.00001  -0.00002  -0.00001   2.09816
   R54        2.09582  -0.00002  -0.00004  -0.00006  -0.00010   2.09572
   R55        2.72861  -0.00001  -0.00005  -0.00001  -0.00006   2.72855
   R56        2.94356  -0.00004   0.00000  -0.00016  -0.00016   2.94340
   R57        2.11867   0.00001  -0.00005   0.00005   0.00000   2.11868
   R58        1.87879   0.00005   0.00002   0.00004   0.00005   1.87884
   R59        2.90520   0.00000  -0.00003   0.00000  -0.00003   2.90517
   R60        2.82874  -0.00003   0.00002  -0.00004  -0.00002   2.82873
   R61        2.12618   0.00000   0.00005   0.00000   0.00005   2.12623
   R62        2.84151   0.00001   0.00003   0.00002   0.00006   2.84157
   R63        2.11297   0.00000   0.00001  -0.00001   0.00000   2.11297
   R64        2.09982  -0.00001  -0.00003  -0.00001  -0.00004   2.09979
   R65        2.65205   0.00001   0.00001   0.00001   0.00002   2.65207
   R66        2.65130   0.00000  -0.00003   0.00001  -0.00002   2.65129
   R67        2.63924   0.00000  -0.00001   0.00001   0.00000   2.63924
   R68        2.06248   0.00000   0.00002   0.00000   0.00003   2.06251
   R69        2.64390   0.00000   0.00000   0.00000   0.00000   2.64390
   R70        2.05744   0.00000  -0.00001   0.00000  -0.00001   2.05744
   R71        2.64219   0.00000  -0.00001   0.00001   0.00000   2.64218
   R72        2.05503   0.00000   0.00000   0.00000   0.00000   2.05503
   R73        2.64147   0.00000   0.00000   0.00000   0.00000   2.64147
   R74        2.05679   0.00000   0.00000   0.00000   0.00000   2.05679
   R75        2.05365   0.00000  -0.00001   0.00000  -0.00001   2.05364
   R76        2.63830  -0.00004   0.00005  -0.00001   0.00003   2.63833
   R77        1.94757   0.00001   0.00017  -0.00002   0.00015   1.94772
   R78        2.30832  -0.00001  -0.00006  -0.00002  -0.00008   2.30824
   R79        2.62455   0.00000   0.00013  -0.00003   0.00010   2.62465
   R80        2.76608   0.00003  -0.00006   0.00001  -0.00005   2.76602
   R81        2.78895   0.00003   0.00004   0.00002   0.00006   2.78901
   R82        2.09594  -0.00003  -0.00009  -0.00010  -0.00019   2.09576
   R83        2.09597   0.00000   0.00005  -0.00001   0.00004   2.09601
   R84        2.58618   0.00004  -0.00001   0.00006   0.00005   2.58623
   R85        3.30583  -0.00005  -0.00009  -0.00019  -0.00028   3.30555
   R86        2.66456  -0.00001   0.00003  -0.00002   0.00000   2.66456
   R87        2.04953  -0.00001  -0.00002  -0.00004  -0.00005   2.04948
   R88        2.49648   0.00001   0.00000   0.00001   0.00000   2.49648
   R89        3.32357  -0.00003  -0.00005  -0.00001  -0.00006   3.32351
   R90        2.05285   0.00000   0.00003   0.00000   0.00003   2.05288
   R91        2.88727  -0.00002   0.00007  -0.00004   0.00003   2.88730
   R92        2.89458  -0.00001   0.00001  -0.00004  -0.00002   2.89456
   R93        2.12259   0.00001   0.00000   0.00003   0.00003   2.12262
   R94        2.07571  -0.00001   0.00006  -0.00002   0.00004   2.07575
   R95        2.07825   0.00000  -0.00002  -0.00009  -0.00011   2.07814
   R96        2.07165   0.00000   0.00001  -0.00002  -0.00001   2.07164
   R97        2.07604   0.00000  -0.00002   0.00001   0.00000   2.07604
   R98        2.08331  -0.00002  -0.00003   0.00002   0.00000   2.08330
   R99        2.07001   0.00001  -0.00002   0.00003   0.00001   2.07001
   R100       3.28049  -0.00001  -0.00006  -0.00004  -0.00010   3.28039
   R101       2.03795   0.00001   0.00001   0.00003   0.00004   2.03799
    A1        1.93487   0.00000   0.00000  -0.00001  -0.00001   1.93486
    A2        1.94432   0.00000   0.00001  -0.00001   0.00000   1.94432
    A3        1.96108   0.00000   0.00000  -0.00002  -0.00002   1.96106
    A4        1.87400   0.00000  -0.00001   0.00001   0.00001   1.87401
    A5        1.87030   0.00000  -0.00001   0.00002   0.00001   1.87031
    A6        1.87512   0.00000   0.00000   0.00000   0.00001   1.87512
    A7        1.95151   0.00000  -0.00001   0.00000  -0.00001   1.95150
    A8        1.92526   0.00000   0.00004  -0.00003   0.00001   1.92527
    A9        1.88884   0.00000  -0.00002   0.00002   0.00000   1.88884
   A10        1.92760  -0.00001  -0.00003   0.00000  -0.00003   1.92757
   A11        1.88932   0.00000   0.00001   0.00001   0.00002   1.88933
   A12        1.87908   0.00000   0.00000   0.00001   0.00001   1.87909
   A13        1.96119   0.00000  -0.00001  -0.00001  -0.00001   1.96118
   A14        1.94533   0.00000   0.00000  -0.00001  -0.00001   1.94532
   A15        1.93462   0.00000   0.00001   0.00000   0.00001   1.93462
   A16        1.87497   0.00000  -0.00001   0.00000   0.00000   1.87496
   A17        1.86953   0.00000   0.00001   0.00000   0.00000   1.86953
   A18        1.87399   0.00000   0.00000   0.00002   0.00002   1.87401
   A19        2.21000  -0.00002   0.00000  -0.00007  -0.00007   2.20993
   A20        2.11683   0.00001   0.00002   0.00005   0.00007   2.11690
   A21        1.95635   0.00001  -0.00002   0.00002   0.00001   1.95636
   A22        1.96147  -0.00001  -0.00001  -0.00002  -0.00003   1.96144
   A23        2.05079   0.00001   0.00013  -0.00001   0.00012   2.05091
   A24        2.01107   0.00000   0.00002  -0.00001   0.00001   2.01108
   A25        2.22130  -0.00001  -0.00015   0.00002  -0.00013   2.22117
   A26        1.97909   0.00000  -0.00023   0.00004  -0.00020   1.97890
   A27        1.92166   0.00000   0.00009   0.00002   0.00011   1.92177
   A28        1.92166   0.00000   0.00004   0.00000   0.00003   1.92169
   A29        1.92179   0.00000  -0.00005   0.00006   0.00001   1.92180
   A30        1.87955   0.00000   0.00010  -0.00005   0.00004   1.87959
   A31        1.83408   0.00000   0.00008  -0.00007   0.00001   1.83409
   A32        1.98767  -0.00001   0.00008  -0.00007   0.00001   1.98768
   A33        2.11610   0.00002   0.00001   0.00014   0.00015   2.11625
   A34        2.01029  -0.00001   0.00010  -0.00008   0.00002   2.01031
   A35        1.89484   0.00001   0.00009   0.00007   0.00015   1.89499
   A36        1.92545  -0.00002  -0.00008  -0.00016  -0.00024   1.92522
   A37        1.96575   0.00000  -0.00004   0.00002  -0.00002   1.96573
   A38        1.88941   0.00001   0.00005   0.00007   0.00012   1.88953
   A39        1.89829   0.00000  -0.00006   0.00000  -0.00006   1.89823
   A40        1.88854   0.00001   0.00004   0.00001   0.00005   1.88859
   A41        2.12905   0.00000   0.00004  -0.00002   0.00002   2.12907
   A42        2.05224   0.00001  -0.00004   0.00009   0.00005   2.05229
   A43        2.10117  -0.00002   0.00000  -0.00007  -0.00007   2.10110
   A44        2.02339  -0.00002  -0.00023  -0.00010  -0.00033   2.02306
   A45        2.06477   0.00000  -0.00027  -0.00010  -0.00037   2.06440
   A46        1.98867   0.00001  -0.00018  -0.00005  -0.00023   1.98843
   A47        1.92435   0.00003   0.00002   0.00004   0.00006   1.92441
   A48        1.90389  -0.00002  -0.00008  -0.00004  -0.00012   1.90377
   A49        1.87256  -0.00001  -0.00010  -0.00004  -0.00014   1.87242
   A50        1.94507   0.00000   0.00003   0.00003   0.00006   1.94512
   A51        1.91280  -0.00001   0.00000   0.00000   0.00001   1.91281
   A52        1.90363   0.00001   0.00012   0.00000   0.00012   1.90375
   A53        2.15485  -0.00001  -0.00007  -0.00005  -0.00012   2.15473
   A54        2.01681  -0.00002   0.00007   0.00006   0.00013   2.01693
   A55        2.11124   0.00003   0.00000  -0.00002  -0.00002   2.11122
   A56        2.12020   0.00006   0.00002  -0.00005  -0.00003   2.12017
   A57        2.12514  -0.00003  -0.00001   0.00001   0.00000   2.12514
   A58        2.03731  -0.00003  -0.00002   0.00003   0.00001   2.03732
   A59        1.92010   0.00000   0.00000   0.00019   0.00019   1.92029
   A60        1.92246  -0.00001  -0.00025  -0.00013  -0.00038   1.92209
   A61        1.87816   0.00001   0.00011  -0.00003   0.00008   1.87824
   A62        1.96047  -0.00001   0.00008   0.00002   0.00011   1.96058
   A63        1.88493  -0.00001   0.00002  -0.00002   0.00000   1.88493
   A64        1.89533   0.00001   0.00005  -0.00004   0.00001   1.89534
   A65        1.99670   0.00001  -0.00005   0.00006   0.00000   1.99670
   A66        1.89498   0.00000  -0.00002   0.00006   0.00004   1.89502
   A67        1.89931   0.00000   0.00008  -0.00003   0.00005   1.89935
   A68        1.91811   0.00000   0.00001   0.00000   0.00000   1.91811
   A69        1.92266  -0.00001  -0.00003  -0.00005  -0.00008   1.92259
   A70        1.82388   0.00000   0.00002  -0.00003  -0.00001   1.82387
   A71        2.09424   0.00000  -0.00003   0.00001  -0.00001   2.09423
   A72        2.10355   0.00000   0.00002  -0.00001   0.00000   2.10355
   A73        2.08537   0.00000   0.00001   0.00000   0.00001   2.08538
   A74        2.09687   0.00000   0.00000   0.00000  -0.00001   2.09687
   A75        2.09736   0.00000  -0.00001  -0.00001  -0.00002   2.09734
   A76        2.08883   0.00000   0.00001   0.00001   0.00002   2.08886
   A77        2.09866   0.00000   0.00000   0.00000   0.00000   2.09865
   A78        2.09055   0.00000   0.00000   0.00001   0.00001   2.09056
   A79        2.09397   0.00000   0.00000  -0.00001  -0.00001   2.09396
   A80        2.08980   0.00000   0.00000   0.00000   0.00000   2.08981
   A81        2.09679   0.00000   0.00000  -0.00001  -0.00001   2.09677
   A82        2.09658   0.00000   0.00000   0.00001   0.00001   2.09659
   A83        2.09917   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09286   0.00000   0.00000   0.00001   0.00001   2.09287
   A85        2.09115   0.00000   0.00000  -0.00001  -0.00001   2.09114
   A86        2.09644   0.00000  -0.00001   0.00000  -0.00001   2.09643
   A87        2.09746   0.00000   0.00000   0.00001   0.00001   2.09746
   A88        2.08926   0.00000   0.00001  -0.00001   0.00000   2.08926
   A89        1.94471   0.00003   0.00000  -0.00011  -0.00010   1.94461
   A90        1.93491  -0.00002  -0.00007  -0.00004  -0.00012   1.93479
   A91        1.90559   0.00001   0.00010   0.00010   0.00020   1.90579
   A92        1.90668   0.00000  -0.00010   0.00003  -0.00007   1.90660
   A93        1.93520  -0.00002   0.00005   0.00003   0.00008   1.93528
   A94        1.83383   0.00000   0.00003   0.00000   0.00002   1.83385
   A95        1.90723   0.00002   0.00000   0.00009   0.00009   1.90731
   A96        2.01392  -0.00003  -0.00004  -0.00001  -0.00005   2.01388
   A97        1.93735   0.00000  -0.00001  -0.00002  -0.00003   1.93732
   A98        1.77597   0.00000   0.00006  -0.00003   0.00003   1.77600
   A99        1.89195  -0.00001   0.00006  -0.00009  -0.00003   1.89192
   A100       1.92766   0.00002  -0.00006   0.00006   0.00000   1.92766
   A101       1.92733  -0.00003  -0.00003  -0.00009  -0.00012   1.92721
   A102       1.95049   0.00003   0.00000   0.00001   0.00002   1.95051
   A103       1.89012  -0.00003  -0.00006  -0.00003  -0.00009   1.89003
   A104       1.90378   0.00000   0.00009  -0.00001   0.00009   1.90387
   A105       1.95201   0.00001   0.00014  -0.00002   0.00011   1.95212
   A106       1.91860  -0.00001   0.00000  -0.00001  -0.00001   1.91860
   A107       1.84531   0.00001  -0.00019   0.00006  -0.00013   1.84518
   A108       1.94988   0.00001  -0.00003   0.00008   0.00006   1.94994
   A109       1.91934   0.00000   0.00007  -0.00005   0.00003   1.91937
   A110       1.90990   0.00000   0.00008  -0.00007   0.00001   1.90991
   A111       1.92272   0.00000  -0.00007   0.00005  -0.00002   1.92270
   A112       1.92494   0.00000  -0.00004  -0.00007  -0.00011   1.92483
   A113       1.83356   0.00000  -0.00001   0.00005   0.00004   1.83360
   A114       2.09241   0.00000  -0.00005   0.00000  -0.00005   2.09235
   A115       2.10082   0.00000   0.00003  -0.00001   0.00003   2.10085
   A116       2.08995   0.00000   0.00002   0.00000   0.00002   2.08998
   A117       2.09458   0.00000  -0.00001  -0.00001  -0.00001   2.09457
   A118       2.08826   0.00000  -0.00002   0.00001  -0.00001   2.08825
   A119       2.10032   0.00000   0.00003   0.00000   0.00002   2.10034
   A120       2.09820   0.00000  -0.00001   0.00001   0.00000   2.09820
   A121       2.09135   0.00000   0.00001  -0.00001   0.00000   2.09135
   A122       2.09363   0.00000   0.00000   0.00001   0.00001   2.09364
   A123       2.09128   0.00000   0.00001   0.00000   0.00001   2.09128
   A124       2.09561   0.00000   0.00000   0.00001   0.00001   2.09562
   A125       2.09630   0.00000   0.00000  -0.00001  -0.00002   2.09628
   A126       2.09869   0.00000   0.00001   0.00000   0.00001   2.09870
   A127       2.09328   0.00000   0.00000  -0.00001  -0.00002   2.09326
   A128       2.09121   0.00000   0.00000   0.00001   0.00001   2.09122
   A129       2.09366   0.00000  -0.00002   0.00000  -0.00002   2.09364
   A130       2.09889   0.00000   0.00000  -0.00001   0.00000   2.09889
   A131       2.09063   0.00000   0.00001   0.00001   0.00002   2.09066
   A132       2.06980  -0.00001  -0.00008  -0.00003  -0.00011   2.06970
   A133       1.97432  -0.00001  -0.00025   0.00003  -0.00023   1.97409
   A134       2.02206   0.00001  -0.00020   0.00002  -0.00017   2.02189
   A135       2.24977   0.00002   0.00013   0.00010   0.00022   2.25000
   A136       1.90700  -0.00004  -0.00005  -0.00011  -0.00016   1.90684
   A137       2.12530   0.00003  -0.00007   0.00002  -0.00005   2.12524
   A138       2.01962   0.00008  -0.00010   0.00006  -0.00005   2.01957
   A139       1.92643   0.00004  -0.00011  -0.00005  -0.00016   1.92627
   A140       1.75690  -0.00002   0.00010  -0.00002   0.00008   1.75698
   A141       1.88925   0.00000   0.00012   0.00005   0.00017   1.88942
   A142       1.98233   0.00000   0.00005   0.00006   0.00011   1.98244
   A143       1.96699  -0.00001  -0.00006  -0.00002  -0.00008   1.96691
   A144       1.92891   0.00000  -0.00008  -0.00002  -0.00010   1.92881
   A145       2.27452  -0.00004   0.00005  -0.00010  -0.00005   2.27447
   A146       2.09404   0.00004  -0.00008   0.00005  -0.00002   2.09402
   A147       1.91448   0.00000   0.00002   0.00005   0.00007   1.91455
   A148       2.01236  -0.00001  -0.00004  -0.00006  -0.00010   2.01227
   A149       2.21911   0.00000   0.00001   0.00001   0.00002   2.21913
   A150       2.05168   0.00001   0.00003   0.00005   0.00008   2.05176
   A151       1.94608   0.00000   0.00002   0.00001   0.00003   1.94611
   A152       1.98197   0.00000  -0.00002  -0.00002  -0.00005   1.98192
   A153       2.18167   0.00000   0.00002  -0.00001   0.00001   2.18168
   A154       2.11884   0.00000  -0.00001   0.00004   0.00003   2.11887
   A155       1.56958   0.00001   0.00003   0.00002   0.00004   1.56962
   A156       1.96649  -0.00003  -0.00006  -0.00004  -0.00010   1.96639
   A157       1.92505   0.00001   0.00014  -0.00002   0.00013   1.92518
   A158       1.85677   0.00001  -0.00001   0.00004   0.00003   1.85681
   A159       1.93383   0.00002  -0.00020   0.00006  -0.00014   1.93369
   A160       1.89067   0.00000   0.00005  -0.00002   0.00003   1.89071
   A161       1.88745  -0.00001   0.00009  -0.00002   0.00006   1.88751
   A162       1.95521  -0.00001   0.00006  -0.00007  -0.00001   1.95520
   A163       1.96992   0.00000  -0.00024   0.00006  -0.00017   1.96975
   A164       1.94276   0.00000  -0.00013   0.00000  -0.00013   1.94263
   A165       1.85532   0.00000   0.00006   0.00002   0.00008   1.85540
   A166       1.86673   0.00000  -0.00007  -0.00007  -0.00014   1.86659
   A167       1.86758   0.00001   0.00033   0.00007   0.00040   1.86798
   A168       1.93055   0.00000   0.00004   0.00000   0.00004   1.93059
   A169       1.96224   0.00002   0.00000   0.00003   0.00003   1.96226
   A170       1.96151  -0.00001  -0.00001  -0.00001  -0.00002   1.96149
   A171       1.85707  -0.00001   0.00001   0.00001   0.00002   1.85709
   A172       1.86343   0.00000   0.00001   0.00001   0.00002   1.86345
   A173       1.88327  -0.00001  -0.00006  -0.00003  -0.00009   1.88319
   A174       1.91626   0.00000  -0.00002   0.00000  -0.00001   1.91625
   A175       2.23756  -0.00001  -0.00010  -0.00003  -0.00013   2.23743
   A176       2.12933   0.00001   0.00011   0.00003   0.00014   2.12947
   A177       1.57962   0.00000   0.00002   0.00001   0.00002   1.57964
    D1        1.08696   0.00000   0.00009   0.00018   0.00027   1.08723
    D2       -3.04393   0.00000   0.00008   0.00015   0.00023  -3.04370
    D3       -0.99237   0.00000   0.00010   0.00016   0.00025  -0.99211
    D4       -3.11043   0.00000   0.00009   0.00019   0.00028  -3.11016
    D5       -0.95813   0.00000   0.00008   0.00016   0.00024  -0.95789
    D6        1.09343   0.00000   0.00009   0.00017   0.00026   1.09369
    D7       -1.00534   0.00000   0.00010   0.00018   0.00027  -1.00506
    D8        1.14696   0.00000   0.00009   0.00015   0.00024   1.14720
    D9       -3.08466   0.00000   0.00010   0.00015   0.00026  -3.08440
   D10        1.00058   0.00000  -0.00018   0.00010  -0.00008   1.00050
   D11        3.10629   0.00000  -0.00020   0.00010  -0.00010   3.10619
   D12       -1.09063   0.00000  -0.00019   0.00012  -0.00007  -1.09070
   D13       -1.15039   0.00000  -0.00021   0.00015  -0.00006  -1.15045
   D14        0.95531   0.00000  -0.00022   0.00014  -0.00008   0.95523
   D15        3.04159   0.00000  -0.00022   0.00016  -0.00006   3.04153
   D16        3.07963   0.00000  -0.00021   0.00013  -0.00007   3.07955
   D17       -1.09785   0.00000  -0.00022   0.00013  -0.00009  -1.09795
   D18        0.98842   0.00000  -0.00021   0.00014  -0.00007   0.98835
   D19        2.04252   0.00000   0.00066  -0.00038   0.00028   2.04280
   D20       -1.09946   0.00000   0.00067  -0.00055   0.00012  -1.09934
   D21       -2.07452   0.00000   0.00066  -0.00041   0.00025  -2.07427
   D22        1.06669   0.00000   0.00067  -0.00058   0.00009   1.06678
   D23       -0.01506   0.00000   0.00066  -0.00039   0.00026  -0.01480
   D24        3.12614   0.00000   0.00067  -0.00056   0.00011   3.12625
   D25       -3.13733   0.00000   0.00001  -0.00007  -0.00007  -3.13740
   D26        0.00462   0.00000   0.00000   0.00008   0.00008   0.00470
   D27        3.13861   0.00000   0.00005  -0.00003   0.00002   3.13862
   D28       -0.00332   0.00000   0.00006  -0.00018  -0.00012  -0.00344
   D29        3.13134   0.00000   0.00009  -0.00010  -0.00001   3.13132
   D30       -0.00402   0.00000  -0.00008   0.00010   0.00002  -0.00400
   D31        1.91765   0.00000  -0.00259   0.00114  -0.00146   1.91619
   D32       -2.20364   0.00000  -0.00276   0.00125  -0.00150  -2.20515
   D33       -0.18938   0.00000  -0.00258   0.00118  -0.00140  -0.19078
   D34       -1.23104  -0.00001  -0.00240   0.00091  -0.00149  -1.23253
   D35        0.93086   0.00000  -0.00256   0.00102  -0.00154   0.92932
   D36        2.94512   0.00000  -0.00239   0.00095  -0.00144   2.94368
   D37        0.00138   0.00000   0.00012  -0.00023  -0.00011   0.00127
   D38       -3.13115   0.00000   0.00025  -0.00010   0.00015  -3.13100
   D39       -3.13326   0.00000  -0.00007  -0.00001  -0.00008  -3.13333
   D40        0.01740   0.00000   0.00006   0.00013   0.00019   0.01759
   D41       -1.24012   0.00001  -0.00009   0.00045   0.00036  -1.23975
   D42        1.27982   0.00000   0.00027   0.00040   0.00067   1.28049
   D43        2.88124   0.00000   0.00000   0.00035   0.00035   2.88160
   D44       -0.88200   0.00000   0.00036   0.00030   0.00066  -0.88134
   D45        0.89053   0.00000  -0.00012   0.00043   0.00031   0.89084
   D46       -2.87272   0.00000   0.00024   0.00038   0.00062  -2.87211
   D47       -1.20709   0.00002   0.00219   0.00172   0.00391  -1.20318
   D48        3.00833   0.00001   0.00212   0.00169   0.00381   3.01214
   D49        0.89616   0.00002   0.00215   0.00178   0.00393   0.90008
   D50        2.51711   0.00001   0.00189   0.00169   0.00358   2.52069
   D51        0.44935   0.00000   0.00182   0.00166   0.00348   0.45282
   D52       -1.66283   0.00001   0.00185   0.00175   0.00360  -1.65923
   D53       -2.77648   0.00001  -0.00050   0.00017  -0.00032  -2.77680
   D54        0.40587   0.00002  -0.00039   0.00007  -0.00031   0.40555
   D55       -0.26400   0.00000  -0.00014   0.00012  -0.00001  -0.26401
   D56        2.91835   0.00001  -0.00003   0.00002  -0.00001   2.91834
   D57        2.84280   0.00000  -0.00023  -0.00010  -0.00033   2.84248
   D58        0.38629   0.00000   0.00082   0.00028   0.00110   0.38739
   D59       -0.25871   0.00001  -0.00012  -0.00020  -0.00032  -0.25904
   D60       -2.71523   0.00001   0.00092   0.00018   0.00110  -2.71413
   D61       -1.42490   0.00000   0.00103   0.00035   0.00139  -1.42351
   D62        2.71700   0.00000   0.00104   0.00032   0.00135   2.71835
   D63        0.65716   0.00000   0.00099   0.00036   0.00135   0.65851
   D64        1.06121   0.00000   0.00000  -0.00003  -0.00003   1.06119
   D65       -1.08008   0.00000   0.00001  -0.00006  -0.00006  -1.08014
   D66       -3.13991   0.00000  -0.00004  -0.00003  -0.00007  -3.13998
   D67       -0.54702   0.00001   0.00031   0.00056   0.00087  -0.54615
   D68        2.62042   0.00000   0.00067   0.00059   0.00126   2.62168
   D69        1.56993   0.00000   0.00024   0.00055   0.00080   1.57073
   D70       -1.54581  -0.00001   0.00060   0.00059   0.00119  -1.54462
   D71       -2.60445   0.00001   0.00042   0.00057   0.00099  -2.60346
   D72        0.56299   0.00000   0.00078   0.00061   0.00139   0.56438
   D73        1.23663   0.00000  -0.00012   0.00001  -0.00011   1.23652
   D74       -2.87554   0.00001  -0.00032   0.00005  -0.00027  -2.87581
   D75       -0.83258   0.00001  -0.00015   0.00003  -0.00012  -0.83270
   D76       -0.89220  -0.00001  -0.00011  -0.00003  -0.00014  -0.89234
   D77        1.27882   0.00000  -0.00031   0.00001  -0.00030   1.27852
   D78       -2.96141  -0.00001  -0.00014  -0.00001  -0.00015  -2.96156
   D79       -3.00636  -0.00001  -0.00022  -0.00005  -0.00027  -3.00663
   D80       -0.83534   0.00000  -0.00042  -0.00002  -0.00043  -0.83577
   D81        1.20761   0.00000  -0.00024  -0.00003  -0.00027   1.20734
   D82        3.14117   0.00000  -0.00031   0.00017  -0.00014   3.14103
   D83       -0.03680  -0.00001  -0.00064  -0.00017  -0.00081  -0.03761
   D84        0.02472   0.00000   0.00004   0.00020   0.00025   0.02497
   D85        3.12994  -0.00001  -0.00029  -0.00014  -0.00042   3.12952
   D86        2.39683  -0.00002  -0.00083  -0.00083  -0.00166   2.39517
   D87       -1.71597  -0.00003  -0.00089  -0.00077  -0.00166  -1.71763
   D88        0.34731  -0.00001  -0.00091  -0.00090  -0.00181   0.34551
   D89       -0.71013  -0.00001  -0.00051  -0.00051  -0.00103  -0.71116
   D90        1.46025  -0.00002  -0.00058  -0.00044  -0.00102   1.45923
   D91       -2.75965  -0.00001  -0.00060  -0.00057  -0.00117  -2.76082
   D92        1.03475  -0.00001  -0.00054   0.00016  -0.00037   1.03438
   D93       -1.11453  -0.00001  -0.00049   0.00008  -0.00041  -1.11494
   D94       -3.08990  -0.00001  -0.00055   0.00011  -0.00044  -3.09034
   D95       -1.11350   0.00001  -0.00028   0.00018  -0.00010  -1.11360
   D96        3.02040   0.00001  -0.00023   0.00010  -0.00013   3.02027
   D97        1.04503   0.00001  -0.00029   0.00012  -0.00016   1.04487
   D98        3.08005   0.00000  -0.00040   0.00022  -0.00017   3.07988
   D99        0.93077   0.00000  -0.00035   0.00014  -0.00021   0.93056
   D100      -1.04460   0.00000  -0.00041   0.00017  -0.00024  -1.04484
   D101       1.12326   0.00002   0.00064  -0.00007   0.00057   1.12384
   D102      -1.00430   0.00001   0.00082   0.00000   0.00082  -1.00348
   D103      -3.01648   0.00002   0.00077  -0.00003   0.00074  -3.01574
   D104      -3.01299   0.00001   0.00052   0.00009   0.00062  -3.01238
   D105       1.14263   0.00001   0.00070   0.00016   0.00087   1.14349
   D106      -0.86955   0.00001   0.00066   0.00013   0.00079  -0.86877
   D107      -0.92943   0.00001   0.00063   0.00006   0.00068  -0.92874
   D108      -3.05699   0.00000   0.00080   0.00013   0.00093  -3.05605
   D109       1.21401   0.00000   0.00076   0.00010   0.00086   1.21487
   D110      -1.63889   0.00000  -0.00038   0.00012  -0.00026  -1.63915
   D111       1.51100   0.00000  -0.00042   0.00017  -0.00024   1.51076
   D112       0.49786   0.00000  -0.00043   0.00023  -0.00020   0.49766
   D113      -2.63543   0.00001  -0.00047   0.00028  -0.00019  -2.63562
   D114       2.49833   0.00000  -0.00042   0.00016  -0.00026   2.49807
   D115      -0.63496   0.00000  -0.00046   0.00021  -0.00025  -0.63520
   D116       3.13972   0.00000   0.00001   0.00004   0.00005   3.13977
   D117      -0.01851   0.00000   0.00007   0.00000   0.00008  -0.01843
   D118      -0.01009   0.00000   0.00005  -0.00001   0.00004  -0.01006
   D119       3.11486   0.00000   0.00011  -0.00005   0.00006   3.11493
   D120      -3.13918   0.00000   0.00002  -0.00003  -0.00001  -3.13919
   D121       0.00999   0.00000   0.00002  -0.00003  -0.00001   0.00998
   D122       0.01068   0.00000  -0.00002   0.00002   0.00000   0.01068
   D123      -3.12334   0.00000  -0.00001   0.00002   0.00001  -3.12333
   D124       0.00174   0.00000  -0.00004  -0.00001  -0.00005   0.00170
   D125       3.13810   0.00000  -0.00004  -0.00004  -0.00008   3.13802
   D126      -3.12329   0.00000  -0.00010   0.00003  -0.00007  -3.12337
   D127       0.01306   0.00000  -0.00010   0.00000  -0.00010   0.01296
   D128       0.00607   0.00000   0.00000   0.00002   0.00002   0.00609
   D129       3.14131   0.00000   0.00001  -0.00002  -0.00001   3.14130
   D130      -3.13028   0.00000   0.00000   0.00005   0.00005  -3.13023
   D131       0.00497   0.00000   0.00001   0.00001   0.00002   0.00499
   D132      -0.00548   0.00000   0.00002  -0.00001   0.00002  -0.00546
   D133       3.13309   0.00000   0.00003  -0.00003   0.00001   3.13310
   D134      -3.14072   0.00000   0.00002   0.00003   0.00004  -3.14068
   D135      -0.00216   0.00000   0.00002   0.00001   0.00003  -0.00212
   D136      -0.00293   0.00000  -0.00001  -0.00001  -0.00003  -0.00296
   D137       3.13112   0.00000  -0.00002  -0.00001  -0.00003   3.13109
   D138      -3.14150   0.00000  -0.00002   0.00000  -0.00002  -3.14151
   D139      -0.00744   0.00000  -0.00003   0.00001  -0.00002  -0.00747
   D140      -1.83590   0.00001  -0.00116  -0.00033  -0.00149  -1.83739
   D141       2.45962   0.00001  -0.00121  -0.00034  -0.00155   2.45807
   D142       0.24981   0.00000  -0.00109  -0.00040  -0.00148   0.24833
   D143       0.30792   0.00000  -0.00132  -0.00044  -0.00176   0.30616
   D144      -1.67974   0.00000  -0.00137  -0.00045  -0.00182  -1.68156
   D145       2.39363  -0.00001  -0.00125  -0.00051  -0.00175   2.39188
   D146       2.32090  -0.00001  -0.00132  -0.00041  -0.00173   2.31918
   D147       0.33324   0.00000  -0.00137  -0.00042  -0.00179   0.33145
   D148      -1.87657  -0.00001  -0.00125  -0.00047  -0.00172  -1.87829
   D149       1.18318   0.00001   0.00242  -0.00179   0.00063   1.18381
   D150      -2.96264  -0.00001   0.00241  -0.00177   0.00063  -2.96201
   D151      -0.93036   0.00001   0.00239  -0.00176   0.00063  -0.92973
   D152      -0.95819   0.00001  -0.00006   0.00046   0.00040  -0.95779
   D153      -3.11597   0.00000  -0.00020   0.00051   0.00031  -3.11566
   D154       1.16687   0.00001   0.00000   0.00046   0.00046   1.16734
   D155      -3.02056   0.00000  -0.00008   0.00038   0.00030  -3.02026
   D156       1.10485  -0.00001  -0.00022   0.00043   0.00021   1.10507
   D157      -0.89549   0.00000  -0.00002   0.00038   0.00036  -0.89513
   D158       1.25652   0.00001  -0.00016   0.00048   0.00032   1.25684
   D159      -0.90125   0.00000  -0.00029   0.00052   0.00023  -0.90102
   D160      -2.90159   0.00001  -0.00009   0.00048   0.00038  -2.90121
   D161       3.00339   0.00001  -0.00019   0.00110   0.00091   3.00430
   D162      -1.13910   0.00001  -0.00025   0.00120   0.00095  -1.13816
   D163       0.86649   0.00001  -0.00018   0.00119   0.00101   0.86750
   D164      -1.15736  -0.00001  -0.00016   0.00105   0.00089  -1.15647
   D165       0.98333   0.00000  -0.00022   0.00114   0.00092   0.98425
   D166       2.98893   0.00000  -0.00015   0.00114   0.00099   2.98992
   D167       0.88688   0.00000  -0.00031   0.00111   0.00080   0.88768
   D168       3.02758   0.00001  -0.00037   0.00120   0.00083   3.02841
   D169      -1.25001   0.00000  -0.00030   0.00119   0.00090  -1.24912
   D170       1.13334   0.00002   0.00085   0.00017   0.00102   1.13436
   D171      -1.32060   0.00003   0.00164   0.00014   0.00178  -1.31882
   D172      -1.02352   0.00001   0.00080   0.00019   0.00099  -1.02253
   D173       2.80572   0.00001   0.00159   0.00016   0.00175   2.80747
   D174      -3.11142   0.00001   0.00084   0.00018   0.00101  -3.11040
   D175       0.71783   0.00001   0.00163   0.00014   0.00177   0.71960
   D176       1.68585   0.00001   0.00016   0.00110   0.00127   1.68712
   D177      -1.45933   0.00001   0.00016   0.00102   0.00118  -1.45815
   D178      -0.45291   0.00000   0.00014   0.00107   0.00121  -0.45170
   D179       2.68509   0.00000   0.00014   0.00099   0.00112   2.68622
   D180      -2.46907   0.00000   0.00022   0.00102   0.00124  -2.46784
   D181       0.66893   0.00000   0.00022   0.00094   0.00115   0.67009
   D182       3.13493   0.00000  -0.00006  -0.00012  -0.00017   3.13476
   D183      -0.01426   0.00000  -0.00009  -0.00014  -0.00023  -0.01449
   D184      -0.00310   0.00000  -0.00005  -0.00004  -0.00009  -0.00319
   D185       3.13090   0.00000  -0.00009  -0.00006  -0.00015   3.13075
   D186      -3.13478   0.00000   0.00004   0.00010   0.00014  -3.13464
   D187       0.00759   0.00000   0.00004   0.00012   0.00016   0.00775
   D188       0.00323   0.00000   0.00004   0.00002   0.00005   0.00328
   D189      -3.13759   0.00000   0.00004   0.00004   0.00008  -3.13751
   D190       0.00050   0.00000   0.00003   0.00002   0.00006   0.00055
   D191       3.14091   0.00000   0.00003   0.00002   0.00006   3.14097
   D192      -3.13344   0.00000   0.00007   0.00005   0.00011  -3.13333
   D193       0.00697   0.00000   0.00007   0.00004   0.00012   0.00709
   D194       0.00198   0.00000   0.00001   0.00001   0.00001   0.00199
   D195      -3.14074   0.00000   0.00000   0.00001   0.00001  -3.14073
   D196      -3.13844   0.00000   0.00000   0.00001   0.00001  -3.13842
   D197       0.00203   0.00000   0.00000   0.00001   0.00001   0.00204
   D198      -0.00184   0.00000  -0.00002  -0.00003  -0.00005  -0.00189
   D199       3.13956   0.00000  -0.00002  -0.00003  -0.00006   3.13950
   D200       3.14087   0.00000  -0.00002  -0.00003  -0.00004   3.14083
   D201      -0.00091   0.00000  -0.00002  -0.00003  -0.00005  -0.00096
   D202      -0.00076   0.00000   0.00000   0.00002   0.00001  -0.00075
   D203       3.14005   0.00000   0.00000   0.00000  -0.00001   3.14005
   D204       3.14102   0.00000   0.00000   0.00002   0.00002   3.14105
   D205      -0.00134   0.00000   0.00000   0.00000   0.00000  -0.00135
   D206       0.56413   0.00002   0.00049   0.00020   0.00069   0.56482
   D207      -2.62814   0.00003   0.00061   0.00020   0.00081  -2.62733
   D208       2.99988   0.00001  -0.00034   0.00024  -0.00011   2.99977
   D209      -0.19240   0.00002  -0.00022   0.00023   0.00001  -0.19239
   D210       3.10054   0.00000   0.00005   0.00035   0.00040   3.10094
   D211      -0.08745   0.00001   0.00018   0.00035   0.00052  -0.08692
   D212      -1.14834  -0.00001  -0.00069  -0.00018  -0.00087  -1.14920
   D213       3.03566  -0.00001  -0.00075  -0.00022  -0.00097   3.03469
   D214       1.01192   0.00000  -0.00076  -0.00020  -0.00095   1.01096
   D215      -2.05238   0.00001   0.00031   0.00013   0.00044  -2.05194
   D216       1.06900   0.00001  -0.00004  -0.00002  -0.00006   1.06894
   D217      -0.09452   0.00001   0.00040   0.00010   0.00050  -0.09402
   D218       3.02686   0.00001   0.00005  -0.00005   0.00000   3.02686
   D219       2.11619   0.00000   0.00028   0.00011   0.00039   2.11658
   D220      -1.04562  -0.00001  -0.00007  -0.00004  -0.00011  -1.04573
   D221       3.13860   0.00000  -0.00025  -0.00013  -0.00038   3.13822
   D222      -0.01172   0.00000  -0.00011  -0.00012  -0.00023  -0.01195
   D223       0.01560   0.00000   0.00007   0.00001   0.00008   0.01568
   D224      -3.13471   0.00000   0.00021   0.00001   0.00023  -3.13449
   D225       3.13800   0.00000   0.00024   0.00000   0.00025   3.13824
   D226      -0.01996   0.00000  -0.00004  -0.00012  -0.00016  -0.02012
   D227       0.00015   0.00001  -0.00007   0.00016   0.00008   0.00024
   D228      -3.13359   0.00001  -0.00020   0.00015  -0.00005  -3.13364
   D229      -0.01618  -0.00001   0.00004  -0.00025  -0.00020  -0.01638
   D230      -3.11765  -0.00001   0.00028  -0.00027   0.00001  -3.11764
   D231       0.02125   0.00001   0.00000   0.00022   0.00021   0.02146
   D232       3.12434   0.00001  -0.00023   0.00023   0.00000   3.12435
   D233      -0.98403   0.00000   0.00190  -0.00192  -0.00003  -0.98406
   D234       1.10949   0.00000   0.00185  -0.00191  -0.00006   1.10943
   D235      -3.07324   0.00001   0.00203  -0.00178   0.00025  -3.07300
   D236       3.13296   0.00000   0.00191  -0.00192  -0.00001   3.13296
   D237      -1.05669  -0.00001   0.00186  -0.00190  -0.00004  -1.05674
   D238       1.04376   0.00000   0.00204  -0.00177   0.00026   1.04402
   D239       1.06524  -0.00001   0.00189  -0.00191  -0.00002   1.06521
   D240      -3.12442  -0.00001   0.00184  -0.00190  -0.00006  -3.12448
   D241      -1.02397   0.00000   0.00201  -0.00177   0.00025  -1.02372
   D242       2.96344   0.00000  -0.00045  -0.00018  -0.00064   2.96281
   D243      -1.24644   0.00001  -0.00041  -0.00016  -0.00057  -1.24701
   D244       0.88257   0.00000  -0.00049  -0.00019  -0.00068   0.88190
   D245      -1.13007  -0.00001  -0.00057  -0.00021  -0.00078  -1.13085
   D246       0.94323  -0.00001  -0.00053  -0.00018  -0.00071   0.94251
   D247       3.07224  -0.00001  -0.00061  -0.00021  -0.00082   3.07142
   D248       0.93961  -0.00001  -0.00057  -0.00021  -0.00078   0.93883
   D249       3.01291   0.00000  -0.00053  -0.00019  -0.00071   3.01219
   D250      -1.14126   0.00000  -0.00061  -0.00021  -0.00082  -1.14208
   D251       0.00099   0.00000  -0.00010   0.00022   0.00013   0.00111
   D252       3.13418   0.00000  -0.00022   0.00010  -0.00012   3.13406
         Item               Value     Threshold  Converged?
 Maximum Force            0.000078     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.013156     0.001800     NO 
 RMS     Displacement     0.002735     0.001200     NO 
 Predicted change in Energy=-4.517262D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.775049   -2.049435    0.947641
      2          6           0       -9.317323   -1.003426   -0.073551
      3          6           0      -10.086471    0.312626    0.076027
      4          6           0       -7.845230   -0.765463    0.050930
      5          7           0       -6.934855   -1.001156   -0.862745
      6          6           0       -5.627074   -0.667921   -0.421515
      7          6           0       -4.490729   -0.905665   -1.376082
      8          7           0       -3.892048    0.346922   -1.903351
      9          6           0       -4.766844    1.075934   -2.863433
     10          6           0       -3.071523    1.169804   -1.089719
     11          8           0       -2.877969    2.353081   -1.348716
     12          7           0       -2.426564    0.560588    0.028636
     13          6           0       -1.294313    1.315403    0.612917
     14          6           0       -0.009602    1.071341   -0.206766
     15          8           0        0.227284    0.022338   -0.796096
     16          7           0        0.904158    2.119366   -0.216312
     17          6           0        2.188145    2.024683   -0.964595
     18          6           0        2.464600    3.348870   -1.710412
     19          6           0        2.557276    4.556233   -0.819043
     20          6           0        1.420947    5.348742   -0.590415
     21          6           0        1.502971    6.470143    0.239070
     22          6           0        2.716453    6.811111    0.844539
     23          6           0        3.852011    6.028974    0.611160
     24          6           0        3.776204    4.906737   -0.218065
     25          6           0        3.334786    1.641455   -0.005402
     26          6           0        3.127083    0.242214    0.584270
     27          8           0        2.701637    0.362429    1.958805
     28          6           0        4.415851   -0.621063    0.725282
     29          6           0        5.164299   -0.750163   -0.611357
     30          6           0        6.499915   -1.419130   -0.438997
     31          6           0        6.629265   -2.795242   -0.682207
     32          6           0        7.870305   -3.417714   -0.530860
     33          6           0        8.987686   -2.673912   -0.136292
     34          6           0        8.859339   -1.303453    0.109240
     35          6           0        7.620077   -0.674372   -0.040274
     36          7           0        4.028213   -1.957084    1.277987
     37          6           0        3.214339   -2.788603    0.506357
     38          8           0        3.161984   -2.897753   -0.709098
     39          8           0        2.449449   -3.588046    1.345935
     40          6           0        1.501041   -4.482656    0.680609
     41          6           0        0.453349   -3.701945   -0.005726
     42          6           0       -0.899454   -3.664282    0.198010
     43          7           0       -1.612012   -2.789848   -0.648038
     44          6           0       -0.806508   -2.166937   -1.489705
     45         16           0        0.888012   -2.591003   -1.285043
     46          6           0       -1.111122    0.888713    2.098953
     47          6           0       -0.559261   -0.528964    2.240711
     48          6           0       -0.221040    1.894806    2.834982
     49          6           0       -5.550637   -0.167169    0.846725
     50         16           0       -7.137441   -0.095142    1.546895
     51          1           0      -10.831123   -2.303908    0.799230
     52          1           0       -9.198040   -2.978414    0.855436
     53          1           0       -9.669061   -1.698024    1.980761
     54          1           0       -9.511947   -1.410781   -1.107081
     55          1           0       -9.994308    0.737709    1.082548
     56          1           0       -9.729565    1.069100   -0.634132
     57          1           0      -11.155886    0.163386   -0.114564
     58          1           0       -3.702003   -1.533640   -0.887299
     59          1           0       -4.843224   -1.509623   -2.251823
     60          1           0       -4.841848    0.483279   -3.789875
     61          1           0       -4.325065    2.059085   -3.115404
     62          1           0       -5.781737    1.245529   -2.467909
     63          1           0       -2.285519   -0.460016    0.014506
     64          1           0       -1.566113    2.411880    0.574212
     65          1           0        0.715586    2.999046    0.259987
     66          1           0        2.074928    1.206511   -1.735955
     67          1           0        1.666591    3.500355   -2.471895
     68          1           0        3.396961    3.238368   -2.303020
     69          1           0        0.474606    5.101129   -1.071317
     70          1           0        0.618325    7.082888    0.409746
     71          1           0        2.778407    7.684913    1.489953
     72          1           0        4.800617    6.296540    1.075018
     73          1           0        4.667485    4.310517   -0.401091
     74          1           0        3.421399    2.377678    0.821182
     75          1           0        4.299952    1.702429   -0.548203
     76          1           0        2.339360   -0.319624    0.017862
     77          1           0        1.789857    0.755988    2.006584
     78          1           0        5.088138   -0.154966    1.497780
     79          1           0        4.540494   -1.318330   -1.345033
     80          1           0        5.293393    0.257486   -1.061526
     81          1           0        5.754646   -3.375002   -0.982446
     82          1           0        7.967117   -4.485570   -0.719762
     83          1           0        9.953045   -3.160893   -0.019960
     84          1           0        9.726952   -0.723423    0.418167
     85          1           0        7.528516    0.390948    0.153934
     86          1           0        3.817011   -1.931796    2.286490
     87          1           0        1.125223   -5.064338    1.546835
     88          1           0        2.068465   -5.138279   -0.011074
     89          1           0       -1.468338   -4.233436    0.925095
     90          1           0       -1.120906   -1.429666   -2.222992
     91          1           0       -2.132496    0.918464    2.565411
     92          1           0       -1.187812   -1.268950    1.726991
     93          1           0        0.451429   -0.637872    1.821194
     94          1           0       -0.504422   -0.831669    3.292926
     95          1           0       -0.234793    1.704385    3.916858
     96          1           0        0.833879    1.831526    2.521120
     97          1           0       -0.553428    2.928701    2.691835
     98          1           0       -4.673783    0.159140    1.383121
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0813516      0.0289487      0.0233407
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.7493292865 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258573036792     A.U. after   13 cycles
             Convg  =    0.4463D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000907    0.000002999   -0.000002050
      2        6          -0.000001901    0.000008813    0.000002535
      3        6           0.000002240   -0.000000954   -0.000003976
      4        6           0.000000938   -0.000028640    0.000006674
      5        7          -0.000003387    0.000009635   -0.000002585
      6        6           0.000000913    0.000015968   -0.000001780
      7        6           0.000002600    0.000011365    0.000018299
      8        7          -0.000024661   -0.000006547   -0.000014514
      9        6          -0.000005806    0.000003241   -0.000009225
     10        6           0.000031481    0.000004119   -0.000009402
     11        8           0.000006393   -0.000005760   -0.000007979
     12        7          -0.000017959    0.000021681    0.000029719
     13        6          -0.000007592    0.000006151    0.000005010
     14        6          -0.000001746   -0.000017259    0.000032508
     15        8          -0.000002386    0.000017409   -0.000008458
     16        7           0.000010503   -0.000021268   -0.000009630
     17        6          -0.000017058    0.000011257   -0.000018428
     18        6           0.000003866   -0.000001503    0.000014326
     19        6          -0.000000133    0.000003841    0.000001165
     20        6           0.000004194    0.000000350    0.000004273
     21        6           0.000000291    0.000008866   -0.000001250
     22        6          -0.000008174   -0.000001808    0.000000669
     23        6           0.000007158   -0.000004386   -0.000000915
     24        6          -0.000000511    0.000008965   -0.000002484
     25        6          -0.000004212    0.000009374    0.000004179
     26        6          -0.000023319    0.000011464   -0.000006998
     27        8          -0.000022716   -0.000004289    0.000017178
     28        6          -0.000014144   -0.000000520   -0.000020993
     29        6          -0.000016158    0.000006008    0.000007083
     30        6           0.000003266    0.000010747    0.000003437
     31        6           0.000000478    0.000000742   -0.000004469
     32        6          -0.000001397   -0.000005276   -0.000001618
     33        6          -0.000000583    0.000004251    0.000001720
     34        6           0.000001123   -0.000002350   -0.000001381
     35        6           0.000000675   -0.000001803    0.000002360
     36        7           0.000016793    0.000005831    0.000013796
     37        6          -0.000022745   -0.000017650    0.000021470
     38        8          -0.000008232    0.000007687   -0.000010146
     39        8          -0.000003932   -0.000025560   -0.000030456
     40        6           0.000013454    0.000029510    0.000014446
     41        6          -0.000025605   -0.000010762   -0.000031060
     42        6           0.000030509   -0.000009386    0.000010465
     43        7           0.000005351   -0.000002036    0.000022039
     44        6          -0.000001411   -0.000015990   -0.000011994
     45       16           0.000006782    0.000016662    0.000003204
     46        6          -0.000008596   -0.000012244    0.000001497
     47        6           0.000025441    0.000003036   -0.000011357
     48        6          -0.000004951    0.000007194   -0.000000390
     49        6          -0.000001683   -0.000009943   -0.000004164
     50       16           0.000001459    0.000012753   -0.000001156
     51        1           0.000000438   -0.000000156    0.000000455
     52        1          -0.000000532   -0.000000919    0.000000575
     53        1          -0.000000217    0.000000632    0.000000480
     54        1           0.000000713   -0.000000045    0.000001360
     55        1          -0.000000452   -0.000001184   -0.000000506
     56        1           0.000000111   -0.000000257    0.000000357
     57        1          -0.000001290   -0.000001181    0.000000999
     58        1           0.000003523   -0.000002136   -0.000006572
     59        1           0.000002181   -0.000012209    0.000001262
     60        1           0.000011332    0.000003520    0.000007863
     61        1          -0.000007500    0.000002977    0.000005138
     62        1           0.000004680   -0.000006785   -0.000004370
     63        1           0.000007586   -0.000000565   -0.000006247
     64        1           0.000001439   -0.000011206   -0.000016633
     65        1          -0.000010469    0.000002969    0.000001725
     66        1           0.000003028   -0.000006590    0.000001677
     67        1          -0.000001127   -0.000002744    0.000001766
     68        1          -0.000003243    0.000002754    0.000002252
     69        1          -0.000002871   -0.000000543    0.000001420
     70        1           0.000000378   -0.000001037    0.000000480
     71        1           0.000000616   -0.000000193    0.000000442
     72        1          -0.000001400    0.000000355    0.000000015
     73        1           0.000000320   -0.000000809    0.000000595
     74        1           0.000010245   -0.000014314   -0.000001795
     75        1           0.000003868   -0.000009618    0.000007285
     76        1           0.000023230   -0.000008229    0.000003464
     77        1           0.000046765    0.000004875   -0.000015040
     78        1          -0.000004176    0.000001416   -0.000009288
     79        1           0.000004805   -0.000009612    0.000000952
     80        1          -0.000001141   -0.000003958   -0.000001129
     81        1          -0.000001198   -0.000000700    0.000000331
     82        1           0.000000515    0.000000963    0.000000406
     83        1           0.000000064   -0.000000763   -0.000000744
     84        1          -0.000000347   -0.000000002    0.000000531
     85        1          -0.000000400   -0.000001200    0.000000359
     86        1          -0.000000182    0.000010235   -0.000007430
     87        1           0.000001216   -0.000001698    0.000010369
     88        1           0.000001546   -0.000008084    0.000002300
     89        1          -0.000006055    0.000013430   -0.000006973
     90        1           0.000000509    0.000009213    0.000000947
     91        1          -0.000002100   -0.000000177    0.000002179
     92        1          -0.000003459   -0.000009208   -0.000001227
     93        1          -0.000015004    0.000018284    0.000005998
     94        1          -0.000011875    0.000003421    0.000005332
     95        1           0.000006381   -0.000001082   -0.000001627
     96        1           0.000015839   -0.000010010    0.000005667
     97        1           0.000001385   -0.000003596   -0.000005902
     98        1          -0.000003491    0.000001782    0.000001308
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000046765 RMS     0.000010109

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000106930 RMS     0.000010312
 Search for a local minimum.
 Step number  84 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   69   70   73   72   74
                                                     75   76   77   78   79
                                                     80   81   82   83   84
 DE= -6.11D-07 DEPred=-4.52D-07 R= 1.35D+00
 Trust test= 1.35D+00 RLast= 1.43D-02 DXMaxT set to 3.35D-01
     Eigenvalues ---    0.00074   0.00098   0.00188   0.00205   0.00233
     Eigenvalues ---    0.00242   0.00309   0.00365   0.00414   0.00558
     Eigenvalues ---    0.00608   0.00670   0.00704   0.00769   0.00853
     Eigenvalues ---    0.00906   0.00979   0.01062   0.01199   0.01237
     Eigenvalues ---    0.01306   0.01407   0.01425   0.01458   0.01475
     Eigenvalues ---    0.01503   0.01622   0.01705   0.01747   0.01767
     Eigenvalues ---    0.01929   0.02043   0.02111   0.02194   0.02202
     Eigenvalues ---    0.02211   0.02219   0.02257   0.02266   0.02279
     Eigenvalues ---    0.02295   0.02329   0.02370   0.02404   0.02409
     Eigenvalues ---    0.02416   0.02439   0.02454   0.02483   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02579   0.02681   0.02701
     Eigenvalues ---    0.02926   0.02941   0.03359   0.03933   0.04014
     Eigenvalues ---    0.04110   0.04149   0.04190   0.04361   0.04460
     Eigenvalues ---    0.04600   0.04743   0.04945   0.04967   0.05085
     Eigenvalues ---    0.05186   0.05223   0.05297   0.05381   0.05427
     Eigenvalues ---    0.05479   0.05513   0.05521   0.05569   0.05640
     Eigenvalues ---    0.05723   0.05744   0.05821   0.05851   0.05889
     Eigenvalues ---    0.05984   0.06021   0.06135   0.06235   0.06328
     Eigenvalues ---    0.06507   0.06752   0.06890   0.07089   0.07159
     Eigenvalues ---    0.07531   0.08304   0.08467   0.08625   0.08742
     Eigenvalues ---    0.09307   0.09626   0.09899   0.10335   0.11503
     Eigenvalues ---    0.12091   0.12906   0.13132   0.13285   0.13437
     Eigenvalues ---    0.13816   0.14056   0.14535   0.15546   0.15630
     Eigenvalues ---    0.15722   0.15849   0.15945   0.15959   0.15980
     Eigenvalues ---    0.15984   0.15986   0.15997   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16001   0.16003   0.16004   0.16016   0.16021
     Eigenvalues ---    0.16048   0.16078   0.16093   0.16101   0.16171
     Eigenvalues ---    0.16287   0.16548   0.16844   0.16869   0.17365
     Eigenvalues ---    0.17876   0.17987   0.18244   0.18855   0.19151
     Eigenvalues ---    0.19686   0.20070   0.20605   0.21041   0.21825
     Eigenvalues ---    0.21871   0.22000   0.22001   0.22003   0.22153
     Eigenvalues ---    0.22223   0.22449   0.22754   0.23058   0.23423
     Eigenvalues ---    0.23497   0.23528   0.23701   0.24040   0.24317
     Eigenvalues ---    0.24353   0.24608   0.24753   0.24985   0.25097
     Eigenvalues ---    0.25230   0.25339   0.25672   0.26199   0.27386
     Eigenvalues ---    0.28180   0.29410   0.29795   0.29929   0.29972
     Eigenvalues ---    0.30126   0.30305   0.30398   0.30601   0.30734
     Eigenvalues ---    0.30855   0.31044   0.31284   0.31372   0.31432
     Eigenvalues ---    0.31468   0.31514   0.31551   0.31670   0.31866
     Eigenvalues ---    0.31975   0.32102   0.32357   0.32432   0.32505
     Eigenvalues ---    0.32615   0.32708   0.32780   0.32866   0.32905
     Eigenvalues ---    0.33025   0.33045   0.33063   0.33165   0.33204
     Eigenvalues ---    0.33254   0.33411   0.33541   0.33640   0.33676
     Eigenvalues ---    0.33773   0.33811   0.33959   0.33981   0.34008
     Eigenvalues ---    0.34145   0.34229   0.34277   0.34325   0.34359
     Eigenvalues ---    0.34484   0.34538   0.34699   0.34758   0.35283
     Eigenvalues ---    0.35775   0.36248   0.36314   0.36377   0.36609
     Eigenvalues ---    0.36644   0.36848   0.36943   0.37089   0.37634
     Eigenvalues ---    0.38335   0.38660   0.39266   0.40287   0.40832
     Eigenvalues ---    0.41201   0.41747   0.42496   0.42907   0.43098
     Eigenvalues ---    0.43374   0.43868   0.44410   0.45219   0.45736
     Eigenvalues ---    0.46191   0.47552   0.47921   0.48368   0.48415
     Eigenvalues ---    0.48645   0.48933   0.49310   0.49626   0.50306
     Eigenvalues ---    0.50950   0.51166   0.51329   0.51560   0.56258
     Eigenvalues ---    0.56682   0.58812   0.60002   0.62425   0.62857
     Eigenvalues ---    0.64714   0.67838   0.77781   0.79074   0.85253
     Eigenvalues ---    1.46614   1.89627   4.169901000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    84   83   82   81   80
 RFO step:  Lambda=-8.94777656D-08.
 DIIS coeffs:      1.27780     -0.06400     -0.33256      0.07634      0.04242
 Iteration  1 RMS(Cart)=  0.00117691 RMS(Int)=  0.00000075
 Iteration  2 RMS(Cart)=  0.00000218 RMS(Int)=  0.00000001
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89473   0.00000  -0.00001   0.00001   0.00000   2.89473
    R2        2.07188   0.00000   0.00000   0.00000   0.00000   2.07188
    R3        2.07392   0.00000   0.00000   0.00000   0.00000   2.07392
    R4        2.07187   0.00000   0.00000   0.00000   0.00000   2.07186
    R5        2.89440   0.00000   0.00000   0.00001   0.00001   2.89441
    R6        2.82776   0.00000   0.00000   0.00001   0.00001   2.82777
    R7        2.13129   0.00000   0.00000   0.00000   0.00000   2.13129
    R8        2.07205   0.00000   0.00000   0.00000   0.00000   2.07205
    R9        2.07350   0.00000   0.00000   0.00000   0.00000   2.07350
   R10        2.07203   0.00000   0.00000   0.00000   0.00000   2.07203
   R11        2.47773   0.00001   0.00002   0.00002   0.00003   2.47776
   R12        3.37421  -0.00001  -0.00003  -0.00005  -0.00008   3.37413
   R13        2.68316   0.00000  -0.00002  -0.00001  -0.00003   2.68313
   R14        2.84025  -0.00001   0.00002  -0.00007  -0.00005   2.84021
   R15        2.58072   0.00000   0.00002   0.00000   0.00002   2.58074
   R16        2.80636   0.00001   0.00004  -0.00001   0.00003   2.80639
   R17        2.11729  -0.00001  -0.00005   0.00000  -0.00005   2.11724
   R18        2.11779  -0.00001  -0.00002  -0.00002  -0.00004   2.11775
   R19        2.81467   0.00000   0.00000   0.00001   0.00001   2.81468
   R20        2.68074   0.00000  -0.00005  -0.00001  -0.00006   2.68069
   R21        2.08313   0.00000  -0.00001  -0.00001  -0.00003   2.08310
   R22        2.09175   0.00000  -0.00001   0.00000  -0.00001   2.09174
   R23        2.08317   0.00000   0.00002   0.00000   0.00002   2.08318
   R24        2.31805   0.00001  -0.00002   0.00001  -0.00002   2.31803
   R25        2.69764   0.00003   0.00012   0.00000   0.00012   2.69776
   R26        2.79853   0.00002   0.00004  -0.00001   0.00003   2.79856
   R27        1.94718  -0.00001   0.00008  -0.00001   0.00007   1.94725
   R28        2.91651   0.00000  -0.00002   0.00000  -0.00002   2.91649
   R29        2.94211   0.00000  -0.00006   0.00003  -0.00003   2.94208
   R30        2.13601   0.00002  -0.00003   0.00002  -0.00001   2.13600
   R31        2.31739   0.00002   0.00001   0.00002   0.00003   2.31742
   R32        2.62761   0.00002  -0.00001  -0.00002  -0.00003   2.62758
   R33        2.81405   0.00000   0.00002  -0.00001   0.00001   2.81406
   R34        1.92368  -0.00001   0.00000  -0.00003  -0.00002   1.92365
   R35        2.91909  -0.00003  -0.00006  -0.00005  -0.00012   2.91897
   R36        2.91637  -0.00001   0.00002  -0.00001   0.00002   2.91639
   R37        2.13566  -0.00001  -0.00001  -0.00001  -0.00002   2.13564
   R38        2.84142  -0.00001   0.00001  -0.00002  -0.00001   2.84141
   R39        2.10399   0.00000   0.00000  -0.00001  -0.00001   2.10398
   R40        2.09810   0.00000  -0.00001   0.00001   0.00000   2.09810
   R41        2.65342   0.00000   0.00000   0.00000   0.00000   2.65343
   R42        2.65223  -0.00001  -0.00001  -0.00001  -0.00002   2.65221
   R43        2.64042   0.00000  -0.00001  -0.00001  -0.00002   2.64041
   R44        2.05984   0.00000   0.00000   0.00000   0.00000   2.05983
   R45        2.64250   0.00000   0.00001   0.00001   0.00002   2.64252
   R46        2.05901   0.00000   0.00000   0.00000   0.00000   2.05901
   R47        2.64271   0.00000  -0.00001  -0.00001  -0.00002   2.64269
   R48        2.05618   0.00000   0.00000   0.00000   0.00000   2.05618
   R49        2.64074   0.00000   0.00001   0.00001   0.00002   2.64075
   R50        2.05851   0.00000   0.00000   0.00000   0.00000   2.05851
   R51        2.05569   0.00000   0.00000   0.00000   0.00000   2.05568
   R52        2.89611  -0.00002   0.00002   0.00002   0.00004   2.89615
   R53        2.09816   0.00002   0.00001   0.00002   0.00003   2.09819
   R54        2.09572  -0.00001  -0.00004  -0.00003  -0.00007   2.09564
   R55        2.72855   0.00001  -0.00001   0.00002   0.00001   2.72856
   R56        2.94340   0.00001  -0.00005   0.00003  -0.00003   2.94337
   R57        2.11868   0.00000   0.00000   0.00002   0.00002   2.11869
   R58        1.87884   0.00005   0.00007   0.00007   0.00013   1.87898
   R59        2.90517   0.00000  -0.00003   0.00003   0.00000   2.90517
   R60        2.82873   0.00000   0.00003   0.00000   0.00002   2.82875
   R61        2.12623   0.00000   0.00003  -0.00001   0.00002   2.12625
   R62        2.84157   0.00000   0.00002  -0.00001   0.00001   2.84158
   R63        2.11297  -0.00001   0.00000  -0.00003  -0.00002   2.11295
   R64        2.09979   0.00000  -0.00002   0.00001  -0.00001   2.09978
   R65        2.65207   0.00000   0.00001  -0.00001   0.00000   2.65206
   R66        2.65129   0.00000  -0.00001   0.00001   0.00000   2.65128
   R67        2.63924   0.00000   0.00000   0.00000   0.00000   2.63924
   R68        2.06251   0.00000   0.00000   0.00000   0.00001   2.06251
   R69        2.64390   0.00000   0.00000  -0.00001  -0.00001   2.64390
   R70        2.05744   0.00000   0.00000   0.00000   0.00000   2.05744
   R71        2.64218   0.00000   0.00000   0.00001   0.00000   2.64219
   R72        2.05503   0.00000   0.00000   0.00000   0.00000   2.05503
   R73        2.64147   0.00000   0.00000  -0.00001   0.00000   2.64147
   R74        2.05679   0.00000   0.00000   0.00000   0.00000   2.05678
   R75        2.05364   0.00000  -0.00001   0.00000   0.00000   2.05364
   R76        2.63833  -0.00002   0.00004   0.00003   0.00007   2.63840
   R77        1.94772  -0.00001   0.00012  -0.00004   0.00008   1.94781
   R78        2.30824   0.00001  -0.00004  -0.00002  -0.00006   2.30818
   R79        2.62465  -0.00001   0.00004  -0.00002   0.00003   2.62468
   R80        2.76602   0.00003  -0.00001   0.00001   0.00000   2.76602
   R81        2.78901   0.00002   0.00002   0.00001   0.00003   2.78905
   R82        2.09576   0.00001  -0.00008  -0.00001  -0.00008   2.09567
   R83        2.09601  -0.00001   0.00002  -0.00002   0.00000   2.09601
   R84        2.58623   0.00002   0.00002   0.00004   0.00006   2.58630
   R85        3.30555  -0.00001  -0.00012  -0.00010  -0.00021   3.30533
   R86        2.66456  -0.00001   0.00000  -0.00003  -0.00002   2.66454
   R87        2.04948  -0.00001  -0.00003  -0.00001  -0.00004   2.04944
   R88        2.49648   0.00001   0.00001   0.00002   0.00003   2.49651
   R89        3.32351   0.00001  -0.00003   0.00000  -0.00003   3.32348
   R90        2.05288   0.00000   0.00002  -0.00001   0.00001   2.05289
   R91        2.88730   0.00001   0.00005  -0.00002   0.00003   2.88732
   R92        2.89456   0.00000  -0.00002   0.00001  -0.00001   2.89455
   R93        2.12262   0.00000   0.00002   0.00001   0.00002   2.12264
   R94        2.07575  -0.00001   0.00002   0.00000   0.00001   2.07576
   R95        2.07814   0.00001   0.00000   0.00000   0.00000   2.07814
   R96        2.07164   0.00000   0.00000   0.00000   0.00000   2.07164
   R97        2.07604   0.00000   0.00000   0.00000   0.00000   2.07604
   R98        2.08330  -0.00002  -0.00004  -0.00001  -0.00005   2.08325
   R99        2.07001   0.00001   0.00001   0.00001   0.00002   2.07004
   R100       3.28039   0.00000  -0.00003  -0.00002  -0.00005   3.28034
   R101       2.03799   0.00000   0.00001   0.00001   0.00002   2.03801
    A1        1.93486   0.00000   0.00000   0.00001   0.00000   1.93486
    A2        1.94432   0.00000   0.00000   0.00000   0.00000   1.94432
    A3        1.96106   0.00000   0.00001  -0.00001  -0.00001   1.96105
    A4        1.87401   0.00000   0.00001   0.00000   0.00001   1.87402
    A5        1.87031   0.00000  -0.00001   0.00001   0.00000   1.87032
    A6        1.87512   0.00000   0.00000  -0.00001  -0.00001   1.87511
    A7        1.95150   0.00000   0.00000   0.00001   0.00001   1.95151
    A8        1.92527   0.00000   0.00004  -0.00002   0.00002   1.92528
    A9        1.88884   0.00000  -0.00001   0.00000  -0.00002   1.88883
   A10        1.92757   0.00000  -0.00005   0.00002  -0.00003   1.92754
   A11        1.88933   0.00000   0.00001  -0.00001   0.00000   1.88934
   A12        1.87909   0.00000   0.00001   0.00000   0.00001   1.87910
   A13        1.96118   0.00000  -0.00001   0.00001   0.00000   1.96118
   A14        1.94532   0.00000  -0.00001   0.00000   0.00000   1.94532
   A15        1.93462   0.00000   0.00001   0.00000   0.00000   1.93463
   A16        1.87496   0.00000  -0.00001   0.00000  -0.00001   1.87496
   A17        1.86953   0.00000   0.00001  -0.00001   0.00000   1.86952
   A18        1.87401   0.00000   0.00001   0.00000   0.00001   1.87402
   A19        2.20993  -0.00001  -0.00002  -0.00005  -0.00008   2.20985
   A20        2.11690   0.00000   0.00002   0.00004   0.00006   2.11695
   A21        1.95636   0.00001   0.00000   0.00001   0.00002   1.95638
   A22        1.96144  -0.00001  -0.00001  -0.00002  -0.00004   1.96140
   A23        2.05091   0.00001   0.00010  -0.00001   0.00009   2.05100
   A24        2.01108   0.00000   0.00001   0.00001   0.00002   2.01110
   A25        2.22117  -0.00002  -0.00011   0.00000  -0.00010   2.22107
   A26        1.97890   0.00001  -0.00009  -0.00001  -0.00009   1.97881
   A27        1.92177   0.00000   0.00005  -0.00004   0.00001   1.92179
   A28        1.92169   0.00000   0.00003   0.00002   0.00005   1.92174
   A29        1.92180  -0.00001  -0.00007   0.00003  -0.00004   1.92176
   A30        1.87959   0.00000   0.00003   0.00000   0.00003   1.87962
   A31        1.83409   0.00000   0.00005  -0.00001   0.00004   1.83413
   A32        1.98768   0.00001   0.00001   0.00002   0.00003   1.98772
   A33        2.11625  -0.00001  -0.00002  -0.00001  -0.00002   2.11623
   A34        2.01031  -0.00001   0.00000  -0.00001  -0.00001   2.01030
   A35        1.89499   0.00000   0.00006   0.00006   0.00012   1.89511
   A36        1.92522  -0.00001  -0.00010  -0.00006  -0.00016   1.92506
   A37        1.96573   0.00001   0.00001   0.00000   0.00001   1.96574
   A38        1.88953   0.00001   0.00006   0.00004   0.00010   1.88963
   A39        1.89823  -0.00001  -0.00004  -0.00002  -0.00007   1.89816
   A40        1.88859   0.00000   0.00002  -0.00002   0.00000   1.88859
   A41        2.12907   0.00000   0.00002   0.00002   0.00004   2.12911
   A42        2.05229  -0.00001  -0.00001  -0.00003  -0.00005   2.05224
   A43        2.10110   0.00001  -0.00001   0.00002   0.00001   2.10111
   A44        2.02306   0.00001  -0.00012   0.00005  -0.00007   2.02299
   A45        2.06440  -0.00001  -0.00014   0.00002  -0.00012   2.06428
   A46        1.98843   0.00000  -0.00008   0.00006  -0.00002   1.98841
   A47        1.92441   0.00000   0.00004   0.00003   0.00007   1.92448
   A48        1.90377  -0.00001  -0.00008  -0.00002  -0.00010   1.90367
   A49        1.87242   0.00000  -0.00004  -0.00001  -0.00005   1.87237
   A50        1.94512   0.00001   0.00002  -0.00002   0.00000   1.94513
   A51        1.91281   0.00000  -0.00002  -0.00002  -0.00005   1.91276
   A52        1.90375   0.00000   0.00007   0.00004   0.00011   1.90386
   A53        2.15473  -0.00001  -0.00005  -0.00003  -0.00008   2.15465
   A54        2.01693   0.00002   0.00006   0.00003   0.00009   2.01702
   A55        2.11122  -0.00001  -0.00001  -0.00001  -0.00002   2.11121
   A56        2.12017  -0.00002   0.00000  -0.00002  -0.00002   2.12015
   A57        2.12514   0.00002   0.00000   0.00004   0.00004   2.12518
   A58        2.03732   0.00000  -0.00001  -0.00001  -0.00002   2.03730
   A59        1.92029   0.00000   0.00003  -0.00005  -0.00002   1.92027
   A60        1.92209   0.00000  -0.00019  -0.00004  -0.00023   1.92185
   A61        1.87824   0.00000   0.00007   0.00002   0.00009   1.87833
   A62        1.96058   0.00000   0.00004  -0.00002   0.00002   1.96060
   A63        1.88493   0.00000   0.00000   0.00006   0.00006   1.88499
   A64        1.89534   0.00000   0.00005   0.00004   0.00010   1.89544
   A65        1.99670  -0.00001  -0.00004  -0.00004  -0.00008   1.99662
   A66        1.89502   0.00000   0.00001   0.00001   0.00002   1.89504
   A67        1.89935   0.00000   0.00003   0.00002   0.00004   1.89940
   A68        1.91811   0.00000   0.00000  -0.00002  -0.00002   1.91809
   A69        1.92259   0.00001  -0.00001   0.00004   0.00003   1.92262
   A70        1.82387   0.00000   0.00001   0.00001   0.00002   1.82389
   A71        2.09423   0.00000  -0.00001  -0.00001  -0.00002   2.09421
   A72        2.10355   0.00000   0.00000   0.00000   0.00000   2.10354
   A73        2.08538   0.00000   0.00001   0.00001   0.00002   2.08540
   A74        2.09687   0.00000  -0.00001  -0.00001  -0.00001   2.09685
   A75        2.09734   0.00000  -0.00001  -0.00001  -0.00002   2.09733
   A76        2.08886   0.00000   0.00001   0.00002   0.00003   2.08889
   A77        2.09865   0.00000   0.00000   0.00000   0.00000   2.09865
   A78        2.09056   0.00000   0.00001   0.00001   0.00001   2.09057
   A79        2.09396   0.00000   0.00000  -0.00001  -0.00001   2.09395
   A80        2.08981   0.00000   0.00000   0.00000   0.00000   2.08981
   A81        2.09677   0.00000  -0.00001  -0.00001  -0.00001   2.09676
   A82        2.09659   0.00000   0.00000   0.00001   0.00001   2.09660
   A83        2.09917   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09287   0.00000   0.00000   0.00001   0.00001   2.09288
   A85        2.09114   0.00000   0.00000  -0.00001  -0.00001   2.09113
   A86        2.09643   0.00000  -0.00001   0.00000  -0.00001   2.09642
   A87        2.09746   0.00000   0.00001   0.00001   0.00002   2.09748
   A88        2.08926   0.00000   0.00000  -0.00001   0.00000   2.08926
   A89        1.94461  -0.00004  -0.00005  -0.00003  -0.00008   1.94452
   A90        1.93479   0.00001  -0.00007  -0.00004  -0.00011   1.93468
   A91        1.90579   0.00001   0.00011   0.00001   0.00012   1.90591
   A92        1.90660   0.00001  -0.00001   0.00002   0.00001   1.90661
   A93        1.93528   0.00002   0.00002   0.00005   0.00007   1.93535
   A94        1.83385  -0.00001   0.00000   0.00000   0.00000   1.83386
   A95        1.90731  -0.00002   0.00006  -0.00005   0.00001   1.90733
   A96        2.01388   0.00001  -0.00006   0.00001  -0.00004   2.01383
   A97        1.93732   0.00000  -0.00001  -0.00006  -0.00007   1.93725
   A98        1.77600   0.00003   0.00007   0.00010   0.00017   1.77616
   A99        1.89192  -0.00001  -0.00009  -0.00007  -0.00017   1.89175
   A100       1.92766   0.00000   0.00003   0.00007   0.00010   1.92776
   A101       1.92721  -0.00002  -0.00004  -0.00006  -0.00010   1.92711
   A102       1.95051   0.00001   0.00002   0.00005   0.00007   1.95058
   A103       1.89003  -0.00003  -0.00006   0.00004  -0.00002   1.89000
   A104       1.90387   0.00001   0.00007   0.00000   0.00007   1.90394
   A105       1.95212   0.00002   0.00012  -0.00013  -0.00001   1.95211
   A106       1.91860  -0.00001  -0.00005   0.00000  -0.00005   1.91855
   A107       1.84518   0.00000  -0.00010   0.00004  -0.00006   1.84512
   A108       1.94994   0.00000  -0.00002   0.00005   0.00004   1.94998
   A109       1.91937   0.00000   0.00005  -0.00008  -0.00002   1.91935
   A110       1.90991   0.00000   0.00001  -0.00002   0.00000   1.90990
   A111       1.92270   0.00000   0.00000   0.00001   0.00000   1.92270
   A112       1.92483   0.00000  -0.00002  -0.00004  -0.00005   1.92478
   A113       1.83360   0.00000  -0.00003   0.00007   0.00004   1.83364
   A114       2.09235   0.00001  -0.00001   0.00000  -0.00001   2.09234
   A115       2.10085  -0.00001   0.00001  -0.00001   0.00000   2.10085
   A116       2.08998   0.00000   0.00001   0.00001   0.00001   2.08999
   A117       2.09457   0.00000  -0.00001  -0.00001  -0.00001   2.09455
   A118       2.08825   0.00000   0.00000   0.00001   0.00000   2.08826
   A119       2.10034   0.00000   0.00001   0.00000   0.00001   2.10035
   A120       2.09820   0.00000   0.00000   0.00001   0.00001   2.09821
   A121       2.09135   0.00000   0.00000  -0.00001  -0.00001   2.09133
   A122       2.09364   0.00000   0.00000   0.00000   0.00001   2.09364
   A123       2.09128   0.00000   0.00000   0.00000   0.00000   2.09128
   A124       2.09562   0.00000   0.00001   0.00001   0.00001   2.09564
   A125       2.09628   0.00000  -0.00001  -0.00001  -0.00001   2.09627
   A126       2.09870   0.00000   0.00000   0.00000   0.00000   2.09870
   A127       2.09326   0.00000  -0.00001   0.00000  -0.00001   2.09326
   A128       2.09122   0.00000   0.00000   0.00000   0.00001   2.09123
   A129       2.09364   0.00000   0.00000   0.00000  -0.00001   2.09363
   A130       2.09889   0.00000   0.00000   0.00000   0.00000   2.09889
   A131       2.09066   0.00000   0.00000   0.00000   0.00001   2.09066
   A132       2.06970   0.00002  -0.00006  -0.00006  -0.00012   2.06957
   A133       1.97409  -0.00001  -0.00022   0.00004  -0.00018   1.97391
   A134       2.02189  -0.00002  -0.00023   0.00004  -0.00019   2.02170
   A135       2.25000   0.00003   0.00014   0.00002   0.00017   2.25017
   A136       1.90684  -0.00006  -0.00012  -0.00006  -0.00018   1.90666
   A137       2.12524   0.00003  -0.00002   0.00004   0.00002   2.12526
   A138       2.01957   0.00011   0.00003   0.00008   0.00011   2.01968
   A139       1.92627   0.00002  -0.00014  -0.00001  -0.00015   1.92612
   A140       1.75698  -0.00001   0.00005  -0.00002   0.00003   1.75701
   A141       1.88942  -0.00001   0.00008  -0.00001   0.00007   1.88949
   A142       1.98244  -0.00002   0.00006   0.00001   0.00007   1.98251
   A143       1.96691   0.00001   0.00000   0.00001   0.00001   1.96692
   A144       1.92881   0.00000  -0.00004   0.00001  -0.00004   1.92877
   A145       2.27447  -0.00004  -0.00001  -0.00010  -0.00011   2.27436
   A146       2.09402   0.00005  -0.00002   0.00007   0.00005   2.09407
   A147       1.91455   0.00000   0.00003   0.00003   0.00006   1.91461
   A148       2.01227   0.00000  -0.00004  -0.00003  -0.00007   2.01220
   A149       2.21913   0.00000   0.00001   0.00000   0.00001   2.21914
   A150       2.05176   0.00000   0.00003   0.00003   0.00006   2.05182
   A151       1.94611   0.00000   0.00001   0.00001   0.00002   1.94613
   A152       1.98192   0.00000  -0.00002  -0.00001  -0.00003   1.98189
   A153       2.18168   0.00000   0.00002  -0.00002   0.00000   2.18169
   A154       2.11887   0.00000   0.00001   0.00003   0.00004   2.11891
   A155       1.56962   0.00000   0.00002   0.00001   0.00003   1.56965
   A156       1.96639  -0.00002  -0.00006  -0.00006  -0.00011   1.96627
   A157       1.92518   0.00000   0.00007   0.00005   0.00013   1.92530
   A158       1.85681   0.00001  -0.00001  -0.00001  -0.00002   1.85678
   A159       1.93369   0.00003  -0.00001   0.00007   0.00005   1.93374
   A160       1.89071   0.00000   0.00001  -0.00004  -0.00002   1.89068
   A161       1.88751  -0.00001  -0.00001  -0.00002  -0.00003   1.88748
   A162       1.95520  -0.00001  -0.00001  -0.00006  -0.00007   1.95513
   A163       1.96975   0.00003  -0.00003   0.00005   0.00001   1.96976
   A164       1.94263   0.00001  -0.00004   0.00006   0.00002   1.94265
   A165       1.85540  -0.00001   0.00002  -0.00007  -0.00004   1.85536
   A166       1.86659   0.00000  -0.00009   0.00003  -0.00005   1.86654
   A167       1.86798  -0.00002   0.00015  -0.00002   0.00013   1.86812
   A168       1.93059   0.00000   0.00000   0.00001   0.00001   1.93060
   A169       1.96226   0.00002   0.00007   0.00003   0.00009   1.96235
   A170       1.96149   0.00000  -0.00003   0.00002  -0.00001   1.96148
   A171       1.85709   0.00000  -0.00001  -0.00002  -0.00003   1.85706
   A172       1.86345   0.00000   0.00000  -0.00003  -0.00003   1.86342
   A173       1.88319  -0.00001  -0.00003  -0.00001  -0.00004   1.88314
   A174       1.91625   0.00000  -0.00001  -0.00001  -0.00002   1.91623
   A175       2.23743   0.00000  -0.00007  -0.00001  -0.00007   2.23736
   A176       2.12947   0.00000   0.00007   0.00002   0.00009   2.12956
   A177       1.57964   0.00000   0.00001   0.00001   0.00002   1.57966
    D1        1.08723   0.00000  -0.00011   0.00023   0.00012   1.08735
    D2       -3.04370   0.00000  -0.00015   0.00025   0.00011  -3.04359
    D3       -0.99211   0.00000  -0.00012   0.00023   0.00012  -0.99200
    D4       -3.11016   0.00000  -0.00010   0.00024   0.00013  -3.11002
    D5       -0.95789   0.00000  -0.00014   0.00026   0.00012  -0.95777
    D6        1.09369   0.00000  -0.00011   0.00024   0.00013   1.09382
    D7       -1.00506   0.00000  -0.00010   0.00022   0.00012  -1.00495
    D8        1.14720   0.00000  -0.00014   0.00024   0.00010   1.14730
    D9       -3.08440   0.00000  -0.00011   0.00022   0.00011  -3.08429
   D10        1.00050   0.00000  -0.00003   0.00009   0.00006   1.00056
   D11        3.10619   0.00000  -0.00006   0.00010   0.00005   3.10623
   D12       -1.09070   0.00000  -0.00004   0.00010   0.00006  -1.09064
   D13       -1.15045   0.00000  -0.00005   0.00009   0.00005  -1.15041
   D14        0.95523   0.00000  -0.00007   0.00010   0.00003   0.95526
   D15        3.04153   0.00000  -0.00005   0.00010   0.00005   3.04158
   D16        3.07955   0.00000  -0.00004   0.00009   0.00005   3.07960
   D17       -1.09795   0.00000  -0.00006   0.00010   0.00004  -1.09791
   D18        0.98835   0.00000  -0.00005   0.00010   0.00005   0.98840
   D19        2.04280   0.00000   0.00050  -0.00045   0.00004   2.04284
   D20       -1.09934   0.00000   0.00040  -0.00021   0.00019  -1.09915
   D21       -2.07427   0.00000   0.00049  -0.00044   0.00005  -2.07422
   D22        1.06678   0.00000   0.00040  -0.00019   0.00020   1.06698
   D23       -0.01480   0.00000   0.00048  -0.00043   0.00005  -0.01475
   D24        3.12625   0.00000   0.00039  -0.00019   0.00020   3.12645
   D25       -3.13740   0.00000  -0.00009   0.00014   0.00006  -3.13734
   D26        0.00470   0.00000   0.00000  -0.00008  -0.00008   0.00462
   D27        3.13862   0.00000   0.00007  -0.00008   0.00000   3.13862
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   D30       -0.00400   0.00000   0.00001  -0.00004  -0.00003  -0.00402
   D31        1.91619   0.00000  -0.00151   0.00136  -0.00015   1.91604
   D32       -2.20515   0.00000  -0.00163   0.00137  -0.00026  -2.20541
   D33       -0.19078   0.00000  -0.00152   0.00135  -0.00017  -0.19095
   D34       -1.23253   0.00000  -0.00150   0.00141  -0.00010  -1.23263
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   D36        2.94368   0.00000  -0.00151   0.00139  -0.00012   2.94357
   D37        0.00127   0.00000  -0.00002   0.00014   0.00012   0.00139
   D38       -3.13100   0.00000   0.00008  -0.00006   0.00001  -3.13098
   D39       -3.13333   0.00000  -0.00002   0.00009   0.00007  -3.13326
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   D41       -1.23975   0.00000  -0.00014   0.00024   0.00010  -1.23965
   D42        1.28049  -0.00001  -0.00014   0.00024   0.00009   1.28058
   D43        2.88160   0.00000  -0.00009   0.00028   0.00018   2.88178
   D44       -0.88134  -0.00001  -0.00010   0.00027   0.00018  -0.88117
   D45        0.89084   0.00000  -0.00013   0.00026   0.00013   0.89097
   D46       -2.87211   0.00000  -0.00013   0.00026   0.00013  -2.87198
   D47       -1.20318   0.00001   0.00133   0.00182   0.00315  -1.20003
   D48        3.01214   0.00000   0.00128   0.00177   0.00305   3.01518
   D49        0.90008   0.00001   0.00132   0.00184   0.00316   0.90324
   D50        2.52069   0.00001   0.00134   0.00182   0.00316   2.52385
   D51        0.45282   0.00001   0.00129   0.00177   0.00306   0.45588
   D52       -1.65923   0.00001   0.00133   0.00184   0.00317  -1.65606
   D53       -2.77680   0.00000  -0.00001  -0.00001  -0.00002  -2.77682
   D54        0.40555   0.00000   0.00003   0.00001   0.00004   0.40559
   D55       -0.26401   0.00000  -0.00001   0.00000  -0.00001  -0.26403
   D56        2.91834   0.00000   0.00003   0.00001   0.00005   2.91839
   D57        2.84248   0.00001  -0.00011   0.00000  -0.00011   2.84237
   D58        0.38739   0.00000   0.00040  -0.00020   0.00020   0.38759
   D59       -0.25904   0.00000  -0.00007   0.00002  -0.00005  -0.25909
   D60       -2.71413  -0.00001   0.00044  -0.00018   0.00026  -2.71386
   D61       -1.42351   0.00000  -0.00002   0.00027   0.00026  -1.42325
   D62        2.71835  -0.00001  -0.00002   0.00029   0.00027   2.71863
   D63        0.65851  -0.00001  -0.00004   0.00026   0.00022   0.65873
   D64        1.06119   0.00000  -0.00053   0.00045  -0.00008   1.06111
   D65       -1.08014   0.00000  -0.00053   0.00047  -0.00006  -1.08020
   D66       -3.13998   0.00000  -0.00056   0.00043  -0.00012  -3.14010
   D67       -0.54615   0.00001   0.00070  -0.00021   0.00050  -0.54565
   D68        2.62168   0.00000   0.00075  -0.00018   0.00057   2.62225
   D69        1.57073   0.00000   0.00065  -0.00022   0.00043   1.57115
   D70       -1.54462  -0.00001   0.00070  -0.00020   0.00050  -1.54412
   D71       -2.60346   0.00001   0.00074  -0.00020   0.00054  -2.60292
   D72        0.56438   0.00000   0.00079  -0.00017   0.00061   0.56499
   D73        1.23652  -0.00001   0.00003  -0.00029  -0.00026   1.23626
   D74       -2.87581   0.00001   0.00003  -0.00020  -0.00017  -2.87599
   D75       -0.83270   0.00000   0.00005  -0.00021  -0.00016  -0.83286
   D76       -0.89234  -0.00001   0.00001  -0.00030  -0.00029  -0.89263
   D77        1.27852   0.00001   0.00001  -0.00021  -0.00020   1.27832
   D78       -2.96156   0.00000   0.00004  -0.00022  -0.00018  -2.96174
   D79       -3.00663  -0.00001  -0.00002  -0.00029  -0.00031  -3.00694
   D80       -0.83577   0.00001  -0.00002  -0.00020  -0.00022  -0.83600
   D81        1.20734   0.00000   0.00001  -0.00021  -0.00020   1.20713
   D82        3.14103   0.00001  -0.00016  -0.00002  -0.00018   3.14085
   D83       -0.03761   0.00001  -0.00039   0.00023  -0.00016  -0.03777
   D84        0.02497   0.00000  -0.00011   0.00000  -0.00011   0.02486
   D85        3.12952   0.00000  -0.00035   0.00025  -0.00009   3.12942
   D86        2.39517   0.00000  -0.00062   0.00012  -0.00051   2.39466
   D87       -1.71763   0.00000  -0.00068   0.00003  -0.00065  -1.71828
   D88        0.34551   0.00000  -0.00068   0.00007  -0.00062   0.34489
   D89       -0.71116   0.00000  -0.00040  -0.00013  -0.00053  -0.71168
   D90        1.45923   0.00000  -0.00046  -0.00021  -0.00067   1.45856
   D91       -2.76082   0.00000  -0.00046  -0.00017  -0.00064  -2.76145
   D92        1.03438   0.00000  -0.00025  -0.00010  -0.00035   1.03402
   D93       -1.11494   0.00000  -0.00023  -0.00005  -0.00028  -1.11522
   D94       -3.09034   0.00000  -0.00026  -0.00007  -0.00034  -3.09067
   D95       -1.11360   0.00000  -0.00005   0.00000  -0.00005  -1.11366
   D96        3.02027   0.00000  -0.00004   0.00005   0.00002   3.02028
   D97        1.04487   0.00000  -0.00007   0.00003  -0.00004   1.04483
   D98        3.07988   0.00000  -0.00015  -0.00008  -0.00023   3.07965
   D99        0.93056   0.00000  -0.00013  -0.00003  -0.00016   0.93040
   D100      -1.04484   0.00000  -0.00016  -0.00005  -0.00021  -1.04505
   D101       1.12384  -0.00001   0.00036   0.00032   0.00068   1.12451
   D102      -1.00348   0.00000   0.00046   0.00034   0.00080  -1.00268
   D103      -3.01574  -0.00001   0.00043   0.00036   0.00079  -3.01495
   D104      -3.01238  -0.00001   0.00029   0.00021   0.00050  -3.01188
   D105       1.14349   0.00000   0.00039   0.00023   0.00062   1.14411
   D106      -0.86877  -0.00001   0.00036   0.00025   0.00061  -0.86816
   D107      -0.92874   0.00000   0.00036   0.00029   0.00065  -0.92809
   D108      -3.05605   0.00000   0.00046   0.00031   0.00077  -3.05528
   D109       1.21487   0.00000   0.00043   0.00033   0.00076   1.21563
   D110      -1.63915   0.00000  -0.00001   0.00021   0.00020  -1.63895
   D111       1.51076   0.00000  -0.00004   0.00018   0.00014   1.51090
   D112       0.49766   0.00000  -0.00002   0.00017   0.00015   0.49781
   D113      -2.63562   0.00000  -0.00006   0.00014   0.00008  -2.63553
   D114       2.49807   0.00001  -0.00001   0.00019   0.00018   2.49826
   D115      -0.63520   0.00000  -0.00005   0.00016   0.00012  -0.63508
   D116       3.13977   0.00000   0.00000  -0.00001  -0.00001   3.13976
   D117      -0.01843   0.00000   0.00002   0.00000   0.00002  -0.01842
   D118      -0.01006   0.00000   0.00003   0.00002   0.00006  -0.01000
   D119       3.11493   0.00000   0.00005   0.00003   0.00008   3.11501
   D120      -3.13919   0.00000   0.00001   0.00001   0.00002  -3.13917
   D121       0.00998   0.00000   0.00001   0.00000   0.00001   0.01000
   D122       0.01068   0.00000  -0.00002  -0.00003  -0.00005   0.01063
   D123      -3.12333   0.00000  -0.00002  -0.00004  -0.00006  -3.12339
   D124       0.00170   0.00000  -0.00003   0.00000  -0.00003   0.00167
   D125       3.13802   0.00000  -0.00003   0.00000  -0.00003   3.13800
   D126      -3.12337   0.00000  -0.00004  -0.00001  -0.00006  -3.12342
   D127       0.01296   0.00000  -0.00005  -0.00001  -0.00005   0.01291
   D128       0.00609   0.00000   0.00000  -0.00001  -0.00001   0.00608
   D129       3.14130   0.00000   0.00001   0.00001   0.00001   3.14132
   D130      -3.13023   0.00000   0.00001  -0.00002  -0.00001  -3.13024
   D131       0.00499   0.00000   0.00001   0.00000   0.00001   0.00500
   D132      -0.00546   0.00000   0.00001   0.00000   0.00001  -0.00544
   D133       3.13310   0.00000   0.00001   0.00001   0.00003   3.13312
   D134      -3.14068   0.00000   0.00001  -0.00001  -0.00001  -3.14068
   D135      -0.00212   0.00000   0.00001   0.00000   0.00001  -0.00212
   D136      -0.00296   0.00000   0.00000   0.00002   0.00001  -0.00294
   D137       3.13109   0.00000   0.00000   0.00002   0.00002   3.13111
   D138      -3.14151   0.00000   0.00000   0.00001   0.00000  -3.14151
   D139      -0.00747   0.00000  -0.00001   0.00001   0.00001  -0.00746
   D140      -1.83739   0.00001  -0.00046  -0.00016  -0.00062  -1.83801
   D141       2.45807  -0.00001  -0.00055  -0.00026  -0.00081   2.45726
   D142       0.24833  -0.00001  -0.00054  -0.00032  -0.00086   0.24747
   D143       0.30616   0.00001  -0.00059  -0.00022  -0.00081   0.30535
   D144      -1.68156  -0.00002  -0.00068  -0.00031  -0.00100  -1.68256
   D145       2.39188  -0.00002  -0.00067  -0.00037  -0.00105   2.39083
   D146       2.31918   0.00001  -0.00058  -0.00018  -0.00076   2.31842
   D147       0.33145  -0.00001  -0.00068  -0.00027  -0.00095   0.33050
   D148      -1.87829  -0.00001  -0.00067  -0.00033  -0.00100  -1.87929
   D149       1.18381  -0.00001  -0.00024   0.00079   0.00055   1.18436
   D150      -2.96201   0.00000  -0.00024   0.00084   0.00059  -2.96141
   D151      -0.92973   0.00001  -0.00021   0.00093   0.00072  -0.92900
   D152      -0.95779   0.00000  -0.00022  -0.00020  -0.00041  -0.95821
   D153      -3.11566  -0.00001  -0.00034  -0.00009  -0.00044  -3.11609
   D154       1.16734  -0.00001  -0.00023  -0.00016  -0.00038   1.16695
   D155      -3.02026   0.00000  -0.00031  -0.00021  -0.00052  -3.02077
   D156       1.10507  -0.00001  -0.00043  -0.00011  -0.00054   1.10453
   D157      -0.89513   0.00000  -0.00032  -0.00017  -0.00048  -0.89561
   D158       1.25684   0.00000  -0.00025  -0.00020  -0.00045   1.25639
   D159      -0.90102  -0.00001  -0.00037  -0.00010  -0.00047  -0.90149
   D160      -2.90121   0.00000  -0.00026  -0.00016  -0.00042  -2.90163
   D161       3.00430   0.00001  -0.00026   0.00099   0.00073   3.00503
   D162      -1.13816   0.00001  -0.00024   0.00098   0.00074  -1.13742
   D163       0.86750   0.00001  -0.00024   0.00101   0.00077   0.86828
   D164      -1.15647  -0.00001  -0.00024   0.00098   0.00074  -1.15573
   D165       0.98425   0.00000  -0.00022   0.00097   0.00075   0.98500
   D166       2.98992  -0.00001  -0.00021   0.00100   0.00079   2.99070
   D167       0.88768   0.00000  -0.00033   0.00096   0.00063   0.88831
   D168       3.02841   0.00000  -0.00031   0.00095   0.00064   3.02904
   D169      -1.24912   0.00000  -0.00030   0.00098   0.00067  -1.24844
   D170       1.13436  -0.00001   0.00057  -0.00023   0.00034   1.13470
   D171      -1.31882   0.00000   0.00136  -0.00028   0.00108  -1.31774
   D172      -1.02253  -0.00002   0.00051  -0.00024   0.00027  -1.02226
   D173       2.80747  -0.00001   0.00130  -0.00029   0.00101   2.80848
   D174      -3.11040  -0.00001   0.00058  -0.00020   0.00037  -3.11003
   D175       0.71960   0.00000   0.00136  -0.00025   0.00111   0.72071
   D176       1.68712   0.00000   0.00011   0.00067   0.00078   1.68789
   D177      -1.45815   0.00000   0.00008   0.00065   0.00073  -1.45742
   D178      -0.45170   0.00000   0.00005   0.00073   0.00078  -0.45092
   D179       2.68622   0.00000   0.00003   0.00071   0.00074   2.68695
   D180      -2.46784   0.00000   0.00010   0.00066   0.00076  -2.46707
   D181       0.67009   0.00000   0.00008   0.00064   0.00072   0.67080
   D182       3.13476   0.00000  -0.00006  -0.00004  -0.00010   3.13466
   D183      -0.01449   0.00000  -0.00006  -0.00009  -0.00015  -0.01465
   D184      -0.00319   0.00000  -0.00003  -0.00003  -0.00006  -0.00324
   D185       3.13075   0.00000  -0.00004  -0.00007  -0.00011   3.13064
   D186      -3.13464   0.00000   0.00005   0.00004   0.00009  -3.13456
   D187       0.00775   0.00000   0.00005   0.00005   0.00010   0.00786
   D188       0.00328   0.00000   0.00002   0.00002   0.00004   0.00332
   D189      -3.13751   0.00000   0.00003   0.00003   0.00006  -3.13745
   D190       0.00055   0.00000   0.00002   0.00001   0.00003   0.00058
   D191       3.14097   0.00000   0.00003  -0.00001   0.00002   3.14099
   D192      -3.13333   0.00000   0.00003   0.00005   0.00008  -3.13325
   D193       0.00709   0.00000   0.00003   0.00004   0.00007   0.00716
   D194       0.00199   0.00000   0.00000   0.00002   0.00002   0.00201
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   D196      -3.13842   0.00000   0.00000   0.00003   0.00003  -3.13840
   D197       0.00204   0.00000   0.00000   0.00002   0.00002   0.00206
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   D199       3.13950   0.00000  -0.00002  -0.00003  -0.00004   3.13946
   D200       3.14083   0.00000  -0.00002  -0.00001  -0.00003   3.14080
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   D204       3.14105   0.00000   0.00001   0.00001   0.00001   3.14106
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   D208       2.99977  -0.00001  -0.00020   0.00019   0.00000   2.99976
   D209      -0.19239   0.00001  -0.00011   0.00030   0.00019  -0.19220
   D210       3.10094  -0.00003   0.00011   0.00017   0.00027   3.10121
   D211      -0.08692  -0.00002   0.00019   0.00026   0.00045  -0.08647
   D212      -1.14920  -0.00004  -0.00055  -0.00004  -0.00059  -1.14979
   D213       3.03469  -0.00002  -0.00059  -0.00004  -0.00063   3.03407
   D214       1.01096  -0.00001  -0.00059  -0.00004  -0.00062   1.01034
   D215      -2.05194   0.00001   0.00021  -0.00007   0.00014  -2.05180
   D216       1.06894   0.00001  -0.00009   0.00001  -0.00008   1.06886
   D217      -0.09402   0.00000   0.00022  -0.00009   0.00013  -0.09389
   D218       3.02686   0.00000  -0.00008  -0.00001  -0.00009   3.02677
   D219       2.11658   0.00000   0.00021  -0.00006   0.00015   2.11672
   D220      -1.04573   0.00000  -0.00009   0.00002  -0.00007  -1.04580
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   D222      -0.01195  -0.00001  -0.00033  -0.00012  -0.00045  -0.01240
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   D224      -3.13449  -0.00001  -0.00005  -0.00019  -0.00025  -3.13473
   D225       3.13824   0.00000   0.00025   0.00008   0.00033   3.13857
   D226      -0.02012   0.00000   0.00000   0.00015   0.00015  -0.01997
   D227       0.00024   0.00000  -0.00002   0.00001  -0.00001   0.00022
   D228      -3.13364   0.00001   0.00004   0.00007   0.00011  -3.13353
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   D230      -3.11764  -0.00001  -0.00012  -0.00004  -0.00016  -3.11780
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   D232       3.12435   0.00001   0.00013  -0.00001   0.00012   3.12446
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   D234       1.10943   0.00000   0.00007  -0.00146  -0.00139   1.10805
   D235      -3.07300   0.00000   0.00021  -0.00141  -0.00119  -3.07419
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   D237      -1.05674  -0.00001   0.00002  -0.00154  -0.00151  -1.05825
   D238       1.04402   0.00000   0.00017  -0.00148  -0.00132   1.04270
   D239       1.06521   0.00000   0.00003  -0.00143  -0.00140   1.06381
   D240      -3.12448  -0.00001   0.00003  -0.00152  -0.00149  -3.12597
   D241      -1.02372   0.00000   0.00017  -0.00147  -0.00130  -1.02502
   D242       2.96281   0.00000  -0.00040  -0.00033  -0.00073   2.96208
   D243      -1.24701   0.00000  -0.00037  -0.00033  -0.00070  -1.24771
   D244       0.88190   0.00000  -0.00038  -0.00031  -0.00069   0.88120
   D245      -1.13085  -0.00001  -0.00043  -0.00031  -0.00074  -1.13159
   D246       0.94251   0.00000  -0.00039  -0.00032  -0.00071   0.94180
   D247       3.07142   0.00000  -0.00041  -0.00030  -0.00071   3.07072
   D248       0.93883   0.00000  -0.00042  -0.00034  -0.00076   0.93807
   D249       3.01219   0.00000  -0.00039  -0.00034  -0.00072   3.01147
   D250      -1.14208   0.00000  -0.00040  -0.00032  -0.00072  -1.14280
   D251       0.00111   0.00000   0.00001  -0.00015  -0.00014   0.00098
   D252       3.13406   0.00000  -0.00008   0.00004  -0.00004   3.13402
         Item               Value     Threshold  Converged?
 Maximum Force            0.000107     0.000450     YES
 RMS     Force            0.000010     0.000300     YES
 Maximum Displacement     0.006561     0.001800     NO 
 RMS     Displacement     0.001177     0.001200     YES
 Predicted change in Energy=-2.057281D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.775018   -2.049800    0.947412
      2          6           0       -9.317134   -1.004181   -0.074110
      3          6           0      -10.086365    0.311910    0.074771
      4          6           0       -7.845077   -0.766068    0.050562
      5          7           0       -6.934569   -1.002070   -0.862927
      6          6           0       -5.626881   -0.668671   -0.421598
      7          6           0       -4.490316   -0.906642   -1.375808
      8          7           0       -3.891791    0.345902   -1.903403
      9          6           0       -4.766566    1.074487   -2.863835
     10          6           0       -3.071548    1.169160   -1.089917
     11          8           0       -2.878126    2.352384   -1.349216
     12          7           0       -2.426603    0.560300    0.028722
     13          6           0       -1.294471    1.315471    0.612816
     14          6           0       -0.009718    1.071667   -0.206858
     15          8           0        0.227138    0.022790   -0.796460
     16          7           0        0.904135    2.119593   -0.216045
     17          6           0        2.188240    2.024900   -0.964135
     18          6           0        2.464570    3.348895   -1.710208
     19          6           0        2.556445    4.556487   -0.819071
     20          6           0        1.419675    5.348510   -0.590942
     21          6           0        1.500942    6.470111    0.238332
     22          6           0        2.714094    6.811744    0.844111
     23          6           0        3.850064    6.030067    0.611256
     24          6           0        3.775018    4.907623   -0.217771
     25          6           0        3.334620    1.642272   -0.004375
     26          6           0        3.127331    0.242828    0.585018
     27          8           0        2.701869    0.362615    1.959591
     28          6           0        4.416340   -0.620142    0.725555
     29          6           0        5.164309   -0.749276   -0.611347
     30          6           0        6.499709   -1.418849   -0.439607
     31          6           0        6.628587   -2.794780   -0.684087
     32          6           0        7.869449   -3.417776   -0.533435
     33          6           0        8.987098   -2.674698   -0.138274
     34          6           0        8.859200   -1.304431    0.108575
     35          6           0        7.620128   -0.674817   -0.040254
     36          7           0        4.029202   -1.956183    1.278600
     37          6           0        3.215467   -2.788028    0.507110
     38          8           0        3.163393   -2.897976   -0.708253
     39          8           0        2.450075   -3.586627    1.347056
     40          6           0        1.501886   -4.481836    0.682227
     41          6           0        0.454176   -3.701562   -0.004617
     42          6           0       -0.898645   -3.663873    0.199220
     43          7           0       -1.611207   -2.789719   -0.647095
     44          6           0       -0.805726   -2.167071   -1.489002
     45         16           0        0.888750   -2.591254   -1.284358
     46          6           0       -1.111166    0.888922    2.098861
     47          6           0       -0.559330   -0.528788    2.240540
     48          6           0       -0.221104    1.895012    2.834906
     49          6           0       -5.550637   -0.167460    0.846482
     50         16           0       -7.137512   -0.095381    1.546420
     51          1           0      -10.831019   -2.304473    0.798819
     52          1           0       -9.197857   -2.978742    0.855785
     53          1           0       -9.669360   -1.697920    1.980405
     54          1           0       -9.511537   -1.411977   -1.107510
     55          1           0       -9.994375    0.737440    1.081120
     56          1           0       -9.729372    1.068088   -0.635658
     57          1           0      -11.155744    0.162542   -0.115915
     58          1           0       -3.701563   -1.534184   -0.886578
     59          1           0       -4.842467   -1.511023   -2.251369
     60          1           0       -4.844050    0.480082   -3.788935
     61          1           0       -4.323220    2.056270   -3.118354
     62          1           0       -5.780595    1.246847   -2.467269
     63          1           0       -2.285263   -0.460303    0.014662
     64          1           0       -1.566560    2.411865    0.573916
     65          1           0        0.715611    2.999196    0.260388
     66          1           0        2.075371    1.206460   -1.735248
     67          1           0        1.666806    3.499936   -2.472032
     68          1           0        3.397207    3.238556   -2.302411
     69          1           0        0.473596    5.100322   -1.072059
     70          1           0        0.615978    7.082506    0.408617
     71          1           0        2.775443    7.685703    1.489371
     72          1           0        4.798407    6.298126    1.075369
     73          1           0        4.666617    4.311751   -0.400373
     74          1           0        3.420194    2.378483    0.822348
     75          1           0        4.300068    1.703936   -0.546514
     76          1           0        2.339571   -0.318977    0.018610
     77          1           0        1.789702    0.755462    2.007350
     78          1           0        5.088903   -0.153888    1.497733
     79          1           0        4.540014   -1.317005   -1.344924
     80          1           0        5.293730    0.258415   -1.061313
     81          1           0        5.753737   -3.373996   -0.984717
     82          1           0        7.965899   -4.485487   -0.723340
     83          1           0        9.952322   -3.162077   -0.022492
     84          1           0        9.727021   -0.724980    0.418005
     85          1           0        7.528906    0.390341    0.154987
     86          1           0        3.817482   -1.930434    2.287027
     87          1           0        1.126138   -5.063062    1.548732
     88          1           0        2.069415   -5.137797   -0.009049
     89          1           0       -1.467466   -4.232879    0.926438
     90          1           0       -1.120175   -1.430142   -2.222620
     91          1           0       -2.132533    0.918653    2.565362
     92          1           0       -1.188727   -1.268863    1.727971
     93          1           0        0.450748   -0.638083    1.819650
     94          1           0       -0.503228   -0.831073    3.292811
     95          1           0       -0.235439    1.705042    3.916855
     96          1           0        0.833936    1.831348    2.521628
     97          1           0       -0.553110    2.928964    2.691200
     98          1           0       -4.673815    0.159039    1.382836
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0813488      0.0289501      0.0233416
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.7872475879 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258573315809     A.U. after   11 cycles
             Convg  =    0.4379D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000452   -0.000000295   -0.000003462
      2        6           0.000002730    0.000003135    0.000001013
      3        6           0.000001234    0.000000416   -0.000000786
      4        6          -0.000005847   -0.000004461    0.000006609
      5        7           0.000001991    0.000005063    0.000000025
      6        6           0.000008805    0.000008082    0.000002968
      7        6           0.000007155    0.000002233   -0.000002280
      8        7          -0.000022278    0.000018074   -0.000024739
      9        6          -0.000000058   -0.000004503    0.000000982
     10        6           0.000006654   -0.000012834    0.000012234
     11        8           0.000009520   -0.000005051   -0.000007333
     12        7          -0.000013846    0.000030731    0.000001965
     13        6           0.000003419    0.000008207   -0.000003138
     14        6          -0.000011746    0.000007510    0.000038671
     15        8          -0.000004088    0.000000290   -0.000007418
     16        7           0.000018799    0.000002478   -0.000009969
     17        6          -0.000017535    0.000006823    0.000012125
     18        6           0.000002295   -0.000011801   -0.000010281
     19        6          -0.000002287    0.000002942   -0.000002843
     20        6           0.000004263   -0.000001636    0.000002509
     21        6          -0.000000124    0.000001799   -0.000000635
     22        6          -0.000002100   -0.000000592    0.000000415
     23        6           0.000002335   -0.000002085    0.000000351
     24        6          -0.000001723    0.000000388   -0.000002956
     25        6          -0.000002002    0.000016490    0.000015232
     26        6          -0.000008767    0.000014615   -0.000023603
     27        8          -0.000011768   -0.000007566    0.000006733
     28        6          -0.000020111   -0.000006354   -0.000000605
     29        6          -0.000003636   -0.000003937   -0.000000437
     30        6           0.000005272    0.000013492    0.000003710
     31        6          -0.000002360   -0.000005421   -0.000003370
     32        6          -0.000000025   -0.000002845   -0.000001106
     33        6          -0.000001313    0.000001477    0.000000806
     34        6          -0.000000289   -0.000002024   -0.000000316
     35        6          -0.000000238   -0.000002211    0.000002110
     36        7           0.000023449   -0.000001475    0.000006845
     37        6           0.000005931   -0.000012815    0.000028975
     38        8          -0.000003688    0.000013298   -0.000010659
     39        8          -0.000014636   -0.000006677   -0.000019811
     40        6           0.000003391    0.000020226   -0.000017090
     41        6          -0.000006832    0.000000243    0.000025000
     42        6           0.000001139   -0.000012965   -0.000012503
     43        7           0.000007234   -0.000005239    0.000011714
     44        6           0.000008136    0.000011001   -0.000004052
     45       16          -0.000013467   -0.000006328   -0.000023765
     46        6          -0.000009712   -0.000008772    0.000013501
     47        6           0.000030620    0.000002402   -0.000011572
     48        6           0.000009862    0.000003874   -0.000004637
     49        6          -0.000010522   -0.000004225    0.000002134
     50       16           0.000011196   -0.000001323   -0.000000091
     51        1          -0.000000330   -0.000000572    0.000000072
     52        1           0.000000161    0.000000217    0.000000261
     53        1           0.000000529    0.000000319    0.000000858
     54        1           0.000000419   -0.000001573    0.000000649
     55        1          -0.000001111   -0.000000066   -0.000000482
     56        1           0.000000177    0.000000658    0.000000323
     57        1          -0.000001783   -0.000000969    0.000000504
     58        1          -0.000008125    0.000002037    0.000002985
     59        1           0.000002954   -0.000006763   -0.000000586
     60        1           0.000005895    0.000002943    0.000005159
     61        1          -0.000007577    0.000003504    0.000007062
     62        1           0.000001502   -0.000005997   -0.000003307
     63        1           0.000012667   -0.000014580   -0.000013960
     64        1           0.000000583   -0.000018115   -0.000011735
     65        1          -0.000003575   -0.000000803    0.000004422
     66        1           0.000004411   -0.000006657    0.000002457
     67        1          -0.000000829   -0.000000124   -0.000002840
     68        1          -0.000002673    0.000002402    0.000000789
     69        1          -0.000000373   -0.000000773   -0.000001473
     70        1           0.000000747   -0.000000391    0.000000597
     71        1           0.000000070   -0.000000087   -0.000000168
     72        1          -0.000000695   -0.000000071   -0.000000482
     73        1          -0.000000198   -0.000000533    0.000000079
     74        1          -0.000000826   -0.000012641    0.000000070
     75        1          -0.000001216   -0.000007966    0.000003101
     76        1           0.000004604   -0.000004701    0.000003387
     77        1           0.000021637    0.000001519   -0.000010171
     78        1           0.000002671    0.000002825   -0.000012088
     79        1           0.000002772   -0.000005459   -0.000000561
     80        1           0.000001131   -0.000002227   -0.000000010
     81        1           0.000001574    0.000002364   -0.000001146
     82        1          -0.000000307    0.000000985    0.000000790
     83        1           0.000000637    0.000000290   -0.000000236
     84        1           0.000000408   -0.000000082   -0.000000206
     85        1          -0.000000774   -0.000001648   -0.000000789
     86        1          -0.000006608    0.000010625   -0.000009101
     87        1           0.000011467    0.000000526    0.000026202
     88        1           0.000000829   -0.000010331    0.000000748
     89        1          -0.000000536    0.000009318    0.000000387
     90        1           0.000001302    0.000000583    0.000002600
     91        1          -0.000005043   -0.000002773    0.000002034
     92        1          -0.000004732   -0.000009876   -0.000000407
     93        1          -0.000011613    0.000012586    0.000015314
     94        1          -0.000016814    0.000001861    0.000002430
     95        1           0.000006439    0.000000897   -0.000000673
     96        1           0.000001954   -0.000003372    0.000000028
     97        1           0.000000795   -0.000001333   -0.000002810
     98        1           0.000003423    0.000002170    0.000002755
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000038671 RMS     0.000008513

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000045547 RMS     0.000007129
 Search for a local minimum.
 Step number  85 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   70   73   72   74   75
                                                     76   77   78   79   80
                                                     81   82   83   84   85
 DE= -2.79D-07 DEPred=-2.06D-07 R= 1.36D+00
 Trust test= 1.36D+00 RLast= 1.08D-02 DXMaxT set to 3.35D-01
     Eigenvalues ---    0.00070   0.00098   0.00156   0.00193   0.00225
     Eigenvalues ---    0.00244   0.00290   0.00352   0.00415   0.00552
     Eigenvalues ---    0.00624   0.00672   0.00706   0.00768   0.00855
     Eigenvalues ---    0.00901   0.00982   0.01063   0.01175   0.01240
     Eigenvalues ---    0.01307   0.01408   0.01424   0.01463   0.01482
     Eigenvalues ---    0.01526   0.01630   0.01704   0.01748   0.01779
     Eigenvalues ---    0.01930   0.02041   0.02114   0.02194   0.02203
     Eigenvalues ---    0.02219   0.02237   0.02257   0.02266   0.02277
     Eigenvalues ---    0.02295   0.02329   0.02371   0.02405   0.02409
     Eigenvalues ---    0.02416   0.02444   0.02470   0.02483   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02563   0.02639   0.02703
     Eigenvalues ---    0.02923   0.02960   0.03353   0.03937   0.04028
     Eigenvalues ---    0.04128   0.04151   0.04186   0.04416   0.04460
     Eigenvalues ---    0.04602   0.04732   0.04956   0.04970   0.05091
     Eigenvalues ---    0.05187   0.05213   0.05295   0.05381   0.05426
     Eigenvalues ---    0.05488   0.05515   0.05540   0.05581   0.05644
     Eigenvalues ---    0.05724   0.05750   0.05819   0.05853   0.05905
     Eigenvalues ---    0.05984   0.06014   0.06141   0.06230   0.06391
     Eigenvalues ---    0.06506   0.06741   0.06902   0.07088   0.07180
     Eigenvalues ---    0.07534   0.08209   0.08503   0.08611   0.08761
     Eigenvalues ---    0.09317   0.09610   0.09898   0.10335   0.11559
     Eigenvalues ---    0.12096   0.12907   0.13124   0.13222   0.13435
     Eigenvalues ---    0.13814   0.14085   0.14532   0.15529   0.15666
     Eigenvalues ---    0.15712   0.15859   0.15916   0.15958   0.15982
     Eigenvalues ---    0.15984   0.15986   0.15994   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16001   0.16002   0.16004   0.16017   0.16026
     Eigenvalues ---    0.16041   0.16084   0.16102   0.16109   0.16169
     Eigenvalues ---    0.16266   0.16490   0.16843   0.16924   0.17360
     Eigenvalues ---    0.17783   0.17966   0.18301   0.18762   0.19147
     Eigenvalues ---    0.19790   0.20227   0.20647   0.21043   0.21824
     Eigenvalues ---    0.21879   0.22000   0.22001   0.22004   0.22183
     Eigenvalues ---    0.22222   0.22488   0.22747   0.23025   0.23447
     Eigenvalues ---    0.23501   0.23566   0.23706   0.23984   0.24295
     Eigenvalues ---    0.24393   0.24599   0.24852   0.24977   0.25089
     Eigenvalues ---    0.25244   0.25343   0.25564   0.26223   0.27475
     Eigenvalues ---    0.28171   0.29398   0.29788   0.29925   0.30017
     Eigenvalues ---    0.30140   0.30309   0.30436   0.30552   0.30686
     Eigenvalues ---    0.30813   0.31234   0.31362   0.31420   0.31449
     Eigenvalues ---    0.31465   0.31512   0.31657   0.31767   0.31903
     Eigenvalues ---    0.31963   0.32096   0.32351   0.32451   0.32501
     Eigenvalues ---    0.32615   0.32687   0.32787   0.32862   0.32926
     Eigenvalues ---    0.33026   0.33048   0.33067   0.33136   0.33203
     Eigenvalues ---    0.33255   0.33436   0.33539   0.33624   0.33677
     Eigenvalues ---    0.33767   0.33823   0.33969   0.33981   0.34067
     Eigenvalues ---    0.34146   0.34227   0.34271   0.34320   0.34399
     Eigenvalues ---    0.34484   0.34584   0.34720   0.34760   0.35369
     Eigenvalues ---    0.35813   0.36248   0.36313   0.36378   0.36626
     Eigenvalues ---    0.36676   0.36848   0.36954   0.37125   0.37566
     Eigenvalues ---    0.38399   0.38760   0.39257   0.40384   0.40820
     Eigenvalues ---    0.41500   0.41758   0.42496   0.42953   0.43094
     Eigenvalues ---    0.43398   0.43933   0.44456   0.45305   0.45970
     Eigenvalues ---    0.46290   0.47533   0.47833   0.48247   0.48399
     Eigenvalues ---    0.48640   0.48902   0.49161   0.49383   0.50303
     Eigenvalues ---    0.50942   0.51164   0.51304   0.51444   0.56170
     Eigenvalues ---    0.56565   0.58775   0.59896   0.62377   0.63563
     Eigenvalues ---    0.65365   0.68360   0.77917   0.79074   0.85080
     Eigenvalues ---    1.45568   1.83740   4.178411000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    85   84   83   82   81
 RFO step:  Lambda=-4.63803677D-08.
 DIIS coeffs:      1.38923     -0.15883     -0.44361      0.18182      0.03139
 Iteration  1 RMS(Cart)=  0.00105079 RMS(Int)=  0.00000055
 Iteration  2 RMS(Cart)=  0.00000068 RMS(Int)=  0.00000002
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89473   0.00000  -0.00001   0.00000  -0.00001   2.89472
    R2        2.07188   0.00000   0.00000   0.00000   0.00000   2.07188
    R3        2.07392   0.00000   0.00000   0.00000   0.00000   2.07392
    R4        2.07186   0.00000   0.00000   0.00000   0.00000   2.07186
    R5        2.89441   0.00000   0.00000  -0.00001   0.00000   2.89441
    R6        2.82777   0.00000   0.00000   0.00001   0.00001   2.82778
    R7        2.13129   0.00000   0.00000   0.00000   0.00000   2.13129
    R8        2.07205   0.00000   0.00000   0.00000   0.00000   2.07205
    R9        2.07350   0.00000   0.00000   0.00000   0.00000   2.07350
   R10        2.07203   0.00000   0.00000   0.00000   0.00000   2.07202
   R11        2.47776   0.00000   0.00002   0.00001   0.00002   2.47779
   R12        3.37413   0.00000  -0.00005  -0.00002  -0.00006   3.37407
   R13        2.68313   0.00000  -0.00002   0.00001  -0.00001   2.68312
   R14        2.84021   0.00001  -0.00002   0.00005   0.00003   2.84024
   R15        2.58074   0.00001   0.00001   0.00001   0.00002   2.58077
   R16        2.80639   0.00001   0.00004   0.00001   0.00004   2.80643
   R17        2.11724   0.00001  -0.00003   0.00002  -0.00001   2.11723
   R18        2.11775  -0.00001  -0.00003   0.00001  -0.00002   2.11773
   R19        2.81468  -0.00001  -0.00001   0.00000  -0.00001   2.81466
   R20        2.68069   0.00001  -0.00002   0.00003   0.00001   2.68070
   R21        2.08310   0.00000  -0.00002   0.00000  -0.00002   2.08308
   R22        2.09174  -0.00001  -0.00001  -0.00001  -0.00002   2.09172
   R23        2.08318   0.00000   0.00001   0.00000   0.00001   2.08320
   R24        2.31803   0.00001  -0.00002   0.00000  -0.00001   2.31801
   R25        2.69776   0.00000   0.00006  -0.00003   0.00003   2.69779
   R26        2.79856   0.00002   0.00000  -0.00002  -0.00001   2.79855
   R27        1.94725  -0.00002   0.00003  -0.00003   0.00000   1.94725
   R28        2.91649   0.00001  -0.00001  -0.00001  -0.00003   2.91646
   R29        2.94208   0.00001  -0.00002   0.00001  -0.00001   2.94207
   R30        2.13600   0.00002   0.00001   0.00002   0.00003   2.13603
   R31        2.31742   0.00000   0.00001  -0.00001   0.00000   2.31742
   R32        2.62758   0.00002   0.00002   0.00000   0.00002   2.62760
   R33        2.81406   0.00002   0.00003   0.00001   0.00004   2.81411
   R34        1.92365   0.00000  -0.00002  -0.00001  -0.00002   1.92363
   R35        2.91897   0.00002  -0.00001  -0.00001  -0.00002   2.91895
   R36        2.91639  -0.00001   0.00003   0.00000   0.00002   2.91641
   R37        2.13564  -0.00001  -0.00001   0.00000  -0.00002   2.13562
   R38        2.84141   0.00000   0.00001  -0.00001   0.00001   2.84142
   R39        2.10398   0.00000   0.00000   0.00000   0.00000   2.10399
   R40        2.09810   0.00000   0.00000   0.00000   0.00000   2.09810
   R41        2.65343   0.00000   0.00001   0.00000   0.00001   2.65344
   R42        2.65221   0.00000  -0.00001   0.00000  -0.00001   2.65219
   R43        2.64041   0.00000  -0.00001   0.00000  -0.00001   2.64039
   R44        2.05983   0.00000   0.00000   0.00000   0.00000   2.05983
   R45        2.64252   0.00000   0.00001   0.00000   0.00001   2.64254
   R46        2.05901   0.00000   0.00000   0.00000   0.00000   2.05901
   R47        2.64269   0.00000  -0.00001   0.00000  -0.00001   2.64268
   R48        2.05618   0.00000   0.00000   0.00000   0.00000   2.05618
   R49        2.64075   0.00000   0.00001   0.00001   0.00001   2.64077
   R50        2.05851   0.00000   0.00000   0.00000   0.00000   2.05851
   R51        2.05568   0.00000   0.00000   0.00000   0.00000   2.05568
   R52        2.89615  -0.00003   0.00001  -0.00001   0.00000   2.89615
   R53        2.09819   0.00001   0.00002   0.00001   0.00003   2.09822
   R54        2.09564   0.00000  -0.00004  -0.00001  -0.00005   2.09560
   R55        2.72856   0.00000   0.00001   0.00002   0.00003   2.72858
   R56        2.94337  -0.00001  -0.00005  -0.00003  -0.00008   2.94330
   R57        2.11869   0.00000   0.00002   0.00000   0.00001   2.11871
   R58        1.87898   0.00002   0.00008   0.00002   0.00010   1.87908
   R59        2.90517   0.00000   0.00000   0.00000   0.00000   2.90517
   R60        2.82875   0.00001   0.00000   0.00000   0.00000   2.82875
   R61        2.12625  -0.00001   0.00000  -0.00002  -0.00001   2.12624
   R62        2.84158   0.00000   0.00001   0.00000   0.00000   2.84159
   R63        2.11295   0.00000  -0.00002   0.00000  -0.00002   2.11293
   R64        2.09978   0.00000  -0.00001   0.00000  -0.00001   2.09977
   R65        2.65206   0.00000   0.00000  -0.00001  -0.00001   2.65206
   R66        2.65128   0.00000   0.00000   0.00000   0.00001   2.65129
   R67        2.63924   0.00000   0.00000   0.00000   0.00001   2.63924
   R68        2.06251   0.00000   0.00000   0.00001   0.00001   2.06252
   R69        2.64390   0.00000   0.00000   0.00000  -0.00001   2.64389
   R70        2.05744   0.00000   0.00000   0.00000   0.00000   2.05744
   R71        2.64219   0.00000   0.00000   0.00000   0.00001   2.64219
   R72        2.05503   0.00000   0.00000   0.00000   0.00000   2.05503
   R73        2.64147   0.00000   0.00000   0.00000  -0.00001   2.64146
   R74        2.05678   0.00000   0.00000   0.00000   0.00000   2.05678
   R75        2.05364   0.00000   0.00000   0.00000   0.00000   2.05364
   R76        2.63840   0.00000   0.00004  -0.00003   0.00001   2.63841
   R77        1.94781  -0.00001   0.00004  -0.00004   0.00000   1.94781
   R78        2.30818   0.00002  -0.00003   0.00001  -0.00001   2.30817
   R79        2.62468  -0.00001  -0.00001  -0.00001  -0.00003   2.62465
   R80        2.76602   0.00001   0.00001   0.00001   0.00002   2.76604
   R81        2.78905   0.00000   0.00001   0.00000   0.00001   2.78905
   R82        2.09567   0.00003  -0.00004   0.00003  -0.00001   2.09566
   R83        2.09601  -0.00001  -0.00001  -0.00001  -0.00002   2.09599
   R84        2.58630   0.00000   0.00004  -0.00001   0.00004   2.58634
   R85        3.30533   0.00002  -0.00012   0.00002  -0.00010   3.30523
   R86        2.66454  -0.00001  -0.00002  -0.00001  -0.00003   2.66451
   R87        2.04944   0.00000  -0.00003   0.00001  -0.00002   2.04941
   R88        2.49651   0.00000   0.00001   0.00000   0.00001   2.49652
   R89        3.32348   0.00002  -0.00001   0.00002   0.00001   3.32349
   R90        2.05289   0.00000   0.00000  -0.00001  -0.00001   2.05288
   R91        2.88732   0.00001  -0.00002   0.00000  -0.00002   2.88731
   R92        2.89455   0.00000  -0.00002  -0.00002  -0.00003   2.89451
   R93        2.12264   0.00000   0.00002   0.00000   0.00002   2.12266
   R94        2.07576  -0.00001  -0.00002   0.00000  -0.00001   2.07575
   R95        2.07814   0.00001   0.00000   0.00000   0.00000   2.07814
   R96        2.07164   0.00000   0.00000   0.00000   0.00000   2.07164
   R97        2.07604   0.00000   0.00000   0.00000   0.00001   2.07605
   R98        2.08325   0.00000  -0.00004   0.00002  -0.00003   2.08323
   R99        2.07004   0.00000   0.00002  -0.00001   0.00002   2.07005
   R100       3.28034   0.00001  -0.00002   0.00001  -0.00001   3.28033
   R101       2.03801   0.00000   0.00001   0.00000   0.00001   2.03802
    A1        1.93486   0.00000   0.00000   0.00000   0.00000   1.93486
    A2        1.94432   0.00000  -0.00001   0.00000   0.00000   1.94432
    A3        1.96105   0.00000   0.00000   0.00000   0.00000   1.96105
    A4        1.87402   0.00000   0.00001   0.00000   0.00001   1.87403
    A5        1.87032   0.00000  -0.00001   0.00000   0.00000   1.87032
    A6        1.87511   0.00000   0.00000   0.00000   0.00000   1.87511
    A7        1.95151   0.00000   0.00001   0.00000   0.00001   1.95152
    A8        1.92528   0.00000   0.00003  -0.00001   0.00001   1.92530
    A9        1.88883   0.00000  -0.00001   0.00001   0.00000   1.88883
   A10        1.92754   0.00000  -0.00004   0.00001  -0.00003   1.92751
   A11        1.88934   0.00000   0.00001   0.00000   0.00000   1.88934
   A12        1.87910   0.00000   0.00000   0.00001   0.00001   1.87911
   A13        1.96118   0.00000  -0.00001   0.00000  -0.00001   1.96118
   A14        1.94532   0.00000   0.00000  -0.00001  -0.00001   1.94531
   A15        1.93463   0.00000   0.00000   0.00000   0.00000   1.93463
   A16        1.87496   0.00000  -0.00001   0.00000   0.00000   1.87495
   A17        1.86952   0.00000   0.00001   0.00000   0.00001   1.86953
   A18        1.87402   0.00000   0.00001   0.00000   0.00001   1.87403
   A19        2.20985   0.00000  -0.00005   0.00000  -0.00006   2.20980
   A20        2.11695   0.00000   0.00003   0.00000   0.00004   2.11699
   A21        1.95638   0.00000   0.00002   0.00000   0.00002   1.95640
   A22        1.96140   0.00000  -0.00003   0.00001  -0.00002   1.96138
   A23        2.05100   0.00000   0.00004  -0.00001   0.00003   2.05103
   A24        2.01110   0.00000   0.00001  -0.00001   0.00000   2.01110
   A25        2.22107   0.00000  -0.00005   0.00002  -0.00003   2.22104
   A26        1.97881   0.00002  -0.00001   0.00007   0.00006   1.97887
   A27        1.92179  -0.00001   0.00003  -0.00002   0.00001   1.92179
   A28        1.92174  -0.00001  -0.00001   0.00001   0.00000   1.92175
   A29        1.92176  -0.00001  -0.00001  -0.00003  -0.00004   1.92172
   A30        1.87962  -0.00001  -0.00002  -0.00001  -0.00003   1.87959
   A31        1.83413   0.00000   0.00002  -0.00003   0.00000   1.83413
   A32        1.98772   0.00001  -0.00001  -0.00003  -0.00004   1.98768
   A33        2.11623   0.00001   0.00001  -0.00003  -0.00002   2.11620
   A34        2.01030  -0.00001  -0.00003  -0.00010  -0.00013   2.01017
   A35        1.89511   0.00000   0.00005   0.00004   0.00009   1.89520
   A36        1.92506  -0.00001  -0.00009  -0.00009  -0.00018   1.92488
   A37        1.96574   0.00001   0.00001   0.00003   0.00004   1.96578
   A38        1.88963   0.00000   0.00006   0.00002   0.00008   1.88971
   A39        1.89816   0.00000  -0.00003   0.00000  -0.00003   1.89813
   A40        1.88859   0.00000   0.00000  -0.00001   0.00000   1.88858
   A41        2.12911  -0.00001   0.00002  -0.00001   0.00001   2.12912
   A42        2.05224   0.00000  -0.00001   0.00001   0.00000   2.05224
   A43        2.10111   0.00000  -0.00001   0.00000  -0.00001   2.10110
   A44        2.02299   0.00001  -0.00003   0.00003   0.00000   2.02299
   A45        2.06428   0.00000  -0.00004   0.00004  -0.00001   2.06427
   A46        1.98841   0.00000   0.00001   0.00002   0.00003   1.98844
   A47        1.92448   0.00000   0.00004   0.00001   0.00006   1.92454
   A48        1.90367   0.00000  -0.00006   0.00003  -0.00003   1.90364
   A49        1.87237   0.00000  -0.00002   0.00003   0.00001   1.87238
   A50        1.94513   0.00001   0.00003  -0.00003   0.00000   1.94512
   A51        1.91276   0.00000  -0.00005  -0.00001  -0.00005   1.91271
   A52        1.90386  -0.00001   0.00005  -0.00003   0.00002   1.90389
   A53        2.15465   0.00001  -0.00002   0.00003   0.00000   2.15465
   A54        2.01702   0.00000   0.00003  -0.00002   0.00001   2.01704
   A55        2.11121  -0.00001  -0.00001   0.00000  -0.00001   2.11120
   A56        2.12015  -0.00001  -0.00001   0.00000  -0.00001   2.12014
   A57        2.12518   0.00001   0.00001   0.00001   0.00002   2.12519
   A58        2.03730   0.00001   0.00000   0.00000   0.00000   2.03730
   A59        1.92027   0.00001   0.00005   0.00000   0.00005   1.92032
   A60        1.92185   0.00000  -0.00012  -0.00001  -0.00013   1.92173
   A61        1.87833  -0.00001   0.00002  -0.00001   0.00000   1.87833
   A62        1.96060   0.00000   0.00001   0.00000   0.00001   1.96061
   A63        1.88499   0.00000   0.00001   0.00001   0.00001   1.88500
   A64        1.89544   0.00000   0.00003   0.00001   0.00004   1.89548
   A65        1.99662   0.00001   0.00000   0.00000  -0.00001   1.99661
   A66        1.89504   0.00000   0.00002   0.00002   0.00004   1.89508
   A67        1.89940   0.00000   0.00000  -0.00003  -0.00003   1.89937
   A68        1.91809   0.00000  -0.00001   0.00001   0.00000   1.91809
   A69        1.92262   0.00000   0.00000   0.00001   0.00000   1.92262
   A70        1.82389   0.00000   0.00000   0.00000  -0.00001   1.82389
   A71        2.09421   0.00000   0.00000   0.00001   0.00001   2.09422
   A72        2.10354   0.00000  -0.00001   0.00000  -0.00001   2.10353
   A73        2.08540   0.00000   0.00001   0.00000   0.00001   2.08541
   A74        2.09685   0.00000  -0.00001   0.00000   0.00000   2.09685
   A75        2.09733   0.00000  -0.00001   0.00000  -0.00001   2.09732
   A76        2.08889   0.00000   0.00001   0.00000   0.00001   2.08890
   A77        2.09865   0.00000   0.00000   0.00000   0.00000   2.09865
   A78        2.09057   0.00000   0.00001   0.00000   0.00001   2.09058
   A79        2.09395   0.00000  -0.00001   0.00000  -0.00001   2.09394
   A80        2.08981   0.00000   0.00000   0.00000   0.00000   2.08981
   A81        2.09676   0.00000  -0.00001   0.00000  -0.00001   2.09675
   A82        2.09660   0.00000   0.00000   0.00000   0.00001   2.09660
   A83        2.09917   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09288   0.00000   0.00001   0.00000   0.00001   2.09289
   A85        2.09113   0.00000  -0.00001   0.00000  -0.00001   2.09112
   A86        2.09642   0.00000   0.00000   0.00000   0.00000   2.09642
   A87        2.09748   0.00000   0.00001   0.00000   0.00001   2.09749
   A88        2.08926   0.00000   0.00000   0.00000  -0.00001   2.08925
   A89        1.94452  -0.00004  -0.00008  -0.00002  -0.00010   1.94443
   A90        1.93468   0.00002  -0.00005   0.00001  -0.00005   1.93464
   A91        1.90591   0.00001   0.00007   0.00003   0.00011   1.90602
   A92        1.90661   0.00001   0.00005  -0.00002   0.00003   1.90664
   A93        1.93535   0.00001   0.00002   0.00005   0.00006   1.93541
   A94        1.83386  -0.00001   0.00000  -0.00005  -0.00005   1.83380
   A95        1.90733  -0.00002   0.00006  -0.00004   0.00001   1.90734
   A96        2.01383   0.00001  -0.00004   0.00000  -0.00004   2.01379
   A97        1.93725   0.00000  -0.00004   0.00003  -0.00001   1.93725
   A98        1.77616   0.00002   0.00010   0.00000   0.00009   1.77626
   A99        1.89175   0.00000  -0.00014   0.00001  -0.00013   1.89162
   A100       1.92776  -0.00001   0.00007   0.00000   0.00007   1.92783
   A101       1.92711  -0.00001  -0.00008  -0.00001  -0.00009   1.92702
   A102       1.95058  -0.00001   0.00003  -0.00004  -0.00001   1.95057
   A103       1.89000  -0.00001  -0.00005   0.00003  -0.00003   1.88997
   A104       1.90394   0.00001   0.00005  -0.00003   0.00002   1.90395
   A105       1.95211   0.00002   0.00001   0.00003   0.00004   1.95216
   A106       1.91855  -0.00001  -0.00004  -0.00001  -0.00004   1.91850
   A107       1.84512   0.00000   0.00000   0.00003   0.00003   1.84515
   A108       1.94998   0.00000   0.00002   0.00003   0.00005   1.95002
   A109       1.91935   0.00000   0.00000  -0.00002  -0.00002   1.91933
   A110       1.90990   0.00000  -0.00002  -0.00003  -0.00004   1.90986
   A111       1.92270   0.00000   0.00002   0.00001   0.00003   1.92273
   A112       1.92478   0.00000  -0.00002  -0.00002  -0.00004   1.92474
   A113       1.83364   0.00000   0.00000   0.00002   0.00003   1.83366
   A114       2.09234   0.00001   0.00001   0.00000   0.00001   2.09236
   A115       2.10085   0.00000  -0.00001   0.00000  -0.00002   2.10083
   A116       2.08999   0.00000   0.00000   0.00000   0.00000   2.08999
   A117       2.09455   0.00000  -0.00001   0.00000  -0.00001   2.09455
   A118       2.08826   0.00000   0.00001  -0.00001   0.00000   2.08826
   A119       2.10035   0.00000   0.00000   0.00001   0.00000   2.10035
   A120       2.09821   0.00000   0.00001   0.00000   0.00001   2.09821
   A121       2.09133   0.00000  -0.00001   0.00000  -0.00001   2.09132
   A122       2.09364   0.00000   0.00000   0.00000   0.00000   2.09365
   A123       2.09128   0.00000   0.00000   0.00000   0.00000   2.09128
   A124       2.09564   0.00000   0.00001   0.00000   0.00001   2.09564
   A125       2.09627   0.00000  -0.00001   0.00000  -0.00001   2.09626
   A126       2.09870   0.00000   0.00000   0.00000   0.00000   2.09870
   A127       2.09326   0.00000  -0.00001   0.00000   0.00000   2.09325
   A128       2.09123   0.00000   0.00001   0.00000   0.00001   2.09124
   A129       2.09363   0.00000   0.00000   0.00000   0.00000   2.09363
   A130       2.09889   0.00000   0.00000   0.00000   0.00000   2.09889
   A131       2.09066   0.00000   0.00000   0.00000   0.00000   2.09066
   A132       2.06957   0.00004  -0.00007   0.00005  -0.00002   2.06956
   A133       1.97391  -0.00001  -0.00009   0.00005  -0.00004   1.97388
   A134       2.02170  -0.00002  -0.00010   0.00002  -0.00008   2.02162
   A135       2.25017   0.00002   0.00010  -0.00001   0.00009   2.25026
   A136       1.90666  -0.00002  -0.00011  -0.00001  -0.00012   1.90654
   A137       2.12526   0.00001   0.00002   0.00001   0.00003   2.12529
   A138       2.01968   0.00005   0.00009   0.00002   0.00011   2.01978
   A139       1.92612   0.00001  -0.00007   0.00000  -0.00008   1.92604
   A140       1.75701   0.00000   0.00000  -0.00001  -0.00002   1.75699
   A141       1.88949  -0.00001   0.00002  -0.00001   0.00001   1.88950
   A142       1.98251  -0.00001   0.00005  -0.00002   0.00002   1.98254
   A143       1.96692   0.00001   0.00002   0.00002   0.00004   1.96696
   A144       1.92877   0.00000  -0.00001   0.00002   0.00001   1.92878
   A145       2.27436  -0.00002  -0.00007  -0.00002  -0.00009   2.27427
   A146       2.09407   0.00002   0.00003   0.00003   0.00006   2.09412
   A147       1.91461  -0.00001   0.00003  -0.00001   0.00003   1.91463
   A148       2.01220   0.00001  -0.00004   0.00001  -0.00003   2.01217
   A149       2.21914   0.00000   0.00000  -0.00001   0.00000   2.21913
   A150       2.05182  -0.00001   0.00003   0.00000   0.00003   2.05185
   A151       1.94613   0.00000   0.00001   0.00000   0.00001   1.94614
   A152       1.98189   0.00000  -0.00001   0.00000  -0.00002   1.98187
   A153       2.18169   0.00000   0.00000  -0.00001  -0.00001   2.18167
   A154       2.11891   0.00000   0.00002   0.00001   0.00003   2.11894
   A155       1.56965  -0.00001   0.00001  -0.00001   0.00001   1.56966
   A156       1.96627   0.00000  -0.00007   0.00002  -0.00005   1.96623
   A157       1.92530  -0.00001   0.00006  -0.00005   0.00001   1.92531
   A158       1.85678   0.00001   0.00000   0.00000   0.00000   1.85678
   A159       1.93374   0.00002   0.00008   0.00003   0.00011   1.93385
   A160       1.89068  -0.00001  -0.00004   0.00001  -0.00003   1.89065
   A161       1.88748  -0.00001  -0.00004  -0.00002  -0.00005   1.88743
   A162       1.95513  -0.00001  -0.00007   0.00001  -0.00006   1.95507
   A163       1.96976   0.00003   0.00005   0.00007   0.00012   1.96988
   A164       1.94265   0.00001   0.00003   0.00003   0.00006   1.94271
   A165       1.85536  -0.00001  -0.00002  -0.00003  -0.00004   1.85531
   A166       1.86654   0.00000  -0.00002  -0.00002  -0.00004   1.86650
   A167       1.86812  -0.00002   0.00003  -0.00008  -0.00006   1.86806
   A168       1.93060   0.00000   0.00000   0.00000  -0.00001   1.93059
   A169       1.96235   0.00001   0.00007  -0.00002   0.00005   1.96241
   A170       1.96148   0.00000  -0.00002   0.00001  -0.00001   1.96147
   A171       1.85706   0.00000  -0.00001   0.00001   0.00000   1.85706
   A172       1.86342   0.00000  -0.00002  -0.00001  -0.00003   1.86339
   A173       1.88314   0.00000  -0.00002   0.00001  -0.00001   1.88313
   A174       1.91623   0.00000  -0.00001   0.00000  -0.00001   1.91623
   A175       2.23736   0.00000  -0.00003   0.00002  -0.00002   2.23735
   A176       2.12956   0.00000   0.00004  -0.00002   0.00002   2.12958
   A177       1.57966   0.00000   0.00000   0.00000   0.00001   1.57966
    D1        1.08735   0.00000  -0.00017   0.00023   0.00006   1.08740
    D2       -3.04359   0.00000  -0.00020   0.00023   0.00003  -3.04356
    D3       -0.99200   0.00000  -0.00018   0.00023   0.00005  -0.99195
    D4       -3.11002   0.00000  -0.00016   0.00023   0.00006  -3.10996
    D5       -0.95777   0.00000  -0.00019   0.00022   0.00004  -0.95774
    D6        1.09382   0.00000  -0.00017   0.00023   0.00006   1.09388
    D7       -1.00495   0.00000  -0.00017   0.00023   0.00006  -1.00489
    D8        1.14730   0.00000  -0.00019   0.00023   0.00003   1.14733
    D9       -3.08429   0.00000  -0.00018   0.00023   0.00005  -3.08424
   D10        1.00056   0.00000  -0.00002   0.00019   0.00018   1.00074
   D11        3.10623   0.00000  -0.00003   0.00019   0.00016   3.10640
   D12       -1.09064   0.00000  -0.00002   0.00019   0.00017  -1.09047
   D13       -1.15041   0.00000  -0.00003   0.00021   0.00018  -1.15022
   D14        0.95526   0.00000  -0.00004   0.00021   0.00017   0.95543
   D15        3.04158   0.00000  -0.00003   0.00021   0.00018   3.04175
   D16        3.07960   0.00000  -0.00001   0.00020   0.00018   3.07979
   D17       -1.09791   0.00000  -0.00003   0.00020   0.00017  -1.09774
   D18        0.98840   0.00000  -0.00002   0.00020   0.00018   0.98858
   D19        2.04284   0.00000   0.00026  -0.00009   0.00017   2.04301
   D20       -1.09915   0.00000   0.00026  -0.00028  -0.00002  -1.09917
   D21       -2.07422   0.00000   0.00026  -0.00010   0.00016  -2.07405
   D22        1.06698   0.00000   0.00026  -0.00029  -0.00003   1.06695
   D23       -0.01475   0.00000   0.00025  -0.00009   0.00016  -0.01460
   D24        3.12645   0.00000   0.00025  -0.00028  -0.00004   3.12641
   D25       -3.13734   0.00000  -0.00002  -0.00007  -0.00009  -3.13743
   D26        0.00462   0.00000  -0.00002   0.00010   0.00009   0.00470
   D27        3.13862   0.00000   0.00001   0.00002   0.00003   3.13865
   D28       -0.00331   0.00000   0.00001  -0.00015  -0.00014  -0.00345
   D29        3.13134   0.00000  -0.00001  -0.00002  -0.00003   3.13131
   D30       -0.00402   0.00000   0.00002   0.00001   0.00003  -0.00399
   D31        1.91604   0.00000  -0.00026   0.00061   0.00036   1.91640
   D32       -2.20541   0.00000  -0.00026   0.00061   0.00035  -2.20505
   D33       -0.19095   0.00000  -0.00022   0.00057   0.00036  -0.19060
   D34       -1.23263   0.00000  -0.00029   0.00057   0.00029  -1.23234
   D35        0.92911   0.00000  -0.00029   0.00057   0.00028   0.92939
   D36        2.94357   0.00000  -0.00025   0.00053   0.00028   2.94385
   D37        0.00139   0.00000  -0.00001  -0.00013  -0.00013   0.00126
   D38       -3.13098   0.00000  -0.00002  -0.00003  -0.00005  -3.13104
   D39       -3.13326   0.00000   0.00002  -0.00009  -0.00006  -3.13333
   D40        0.01755   0.00000   0.00001   0.00001   0.00002   0.01756
   D41       -1.23965   0.00000   0.00006   0.00016   0.00022  -1.23943
   D42        1.28058  -0.00001   0.00001  -0.00014  -0.00013   1.28045
   D43        2.88178   0.00000   0.00004   0.00016   0.00020   2.88198
   D44       -0.88117  -0.00001  -0.00002  -0.00014  -0.00015  -0.88132
   D45        0.89097   0.00000   0.00003   0.00021   0.00024   0.89121
   D46       -2.87198   0.00000  -0.00003  -0.00009  -0.00011  -2.87209
   D47       -1.20003   0.00000   0.00140   0.00113   0.00254  -1.19750
   D48        3.01518   0.00000   0.00135   0.00113   0.00248   3.01767
   D49        0.90324   0.00001   0.00141   0.00118   0.00258   0.90582
   D50        2.52385   0.00001   0.00145   0.00139   0.00283   2.52668
   D51        0.45588   0.00001   0.00140   0.00138   0.00278   0.45866
   D52       -1.65606   0.00001   0.00145   0.00143   0.00288  -1.65318
   D53       -2.77682   0.00000   0.00019   0.00010   0.00029  -2.77654
   D54        0.40559   0.00000   0.00018   0.00009   0.00027   0.40586
   D55       -0.26403   0.00000   0.00013  -0.00018  -0.00004  -0.26407
   D56        2.91839   0.00000   0.00013  -0.00019  -0.00006   2.91833
   D57        2.84237   0.00001   0.00001   0.00004   0.00005   2.84242
   D58        0.38759   0.00000   0.00010  -0.00009   0.00000   0.38760
   D59       -0.25909   0.00000   0.00001   0.00003   0.00003  -0.25905
   D60       -2.71386  -0.00001   0.00009  -0.00010  -0.00001  -2.71387
   D61       -1.42325   0.00000  -0.00022  -0.00030  -0.00051  -1.42377
   D62        2.71863  -0.00001  -0.00024  -0.00029  -0.00053   2.71810
   D63        0.65873  -0.00001  -0.00026  -0.00028  -0.00054   0.65818
   D64        1.06111   0.00000  -0.00032  -0.00017  -0.00049   1.06062
   D65       -1.08020  -0.00001  -0.00034  -0.00015  -0.00050  -1.08070
   D66       -3.14010   0.00000  -0.00037  -0.00015  -0.00051  -3.14061
   D67       -0.54565   0.00000   0.00047   0.00000   0.00047  -0.54518
   D68        2.62225  -0.00001   0.00044  -0.00011   0.00033   2.62258
   D69        1.57115   0.00001   0.00044   0.00002   0.00047   1.57162
   D70       -1.54412   0.00000   0.00041  -0.00008   0.00032  -1.54380
   D71       -2.60292   0.00000   0.00050  -0.00004   0.00046  -2.60246
   D72        0.56499  -0.00001   0.00046  -0.00015   0.00032   0.56531
   D73        1.23626  -0.00001  -0.00001  -0.00005  -0.00007   1.23619
   D74       -2.87599   0.00001   0.00008  -0.00003   0.00005  -2.87593
   D75       -0.83286   0.00000   0.00007  -0.00007   0.00000  -0.83286
   D76       -0.89263  -0.00001  -0.00005  -0.00007  -0.00011  -0.89274
   D77        1.27832   0.00001   0.00005  -0.00005   0.00001   1.27832
   D78       -2.96174   0.00000   0.00004  -0.00009  -0.00005  -2.96179
   D79       -3.00694   0.00000  -0.00004  -0.00002  -0.00006  -3.00700
   D80       -0.83600   0.00001   0.00006   0.00000   0.00006  -0.83594
   D81        1.20713   0.00000   0.00004  -0.00004   0.00000   1.20714
   D82        3.14085   0.00001   0.00002  -0.00003  -0.00001   3.14084
   D83       -0.03777   0.00001   0.00006   0.00016   0.00022  -0.03755
   D84        0.02486   0.00000  -0.00002  -0.00013  -0.00015   0.02471
   D85        3.12942   0.00000   0.00003   0.00006   0.00008   3.12951
   D86        2.39466   0.00000  -0.00040   0.00007  -0.00032   2.39434
   D87       -1.71828   0.00001  -0.00043   0.00007  -0.00036  -1.71864
   D88        0.34489   0.00000  -0.00045   0.00007  -0.00037   0.34452
   D89       -0.71168   0.00000  -0.00044  -0.00010  -0.00054  -0.71223
   D90        1.45856   0.00001  -0.00047  -0.00010  -0.00057   1.45798
   D91       -2.76145   0.00000  -0.00049  -0.00010  -0.00059  -2.76204
   D92        1.03402   0.00000  -0.00001   0.00013   0.00012   1.03415
   D93       -1.11522   0.00000  -0.00001   0.00011   0.00010  -1.11512
   D94       -3.09067   0.00001  -0.00002   0.00012   0.00010  -3.09057
   D95       -1.11366   0.00000   0.00010   0.00014   0.00024  -1.11342
   D96        3.02028   0.00000   0.00009   0.00012   0.00022   3.02050
   D97        1.04483   0.00000   0.00009   0.00013   0.00022   1.04505
   D98        3.07965   0.00000   0.00004   0.00012   0.00017   3.07981
   D99        0.93040   0.00000   0.00004   0.00010   0.00014   0.93054
   D100      -1.04505   0.00000   0.00004   0.00011   0.00014  -1.04490
   D101       1.12451  -0.00001   0.00020   0.00001   0.00021   1.12473
   D102      -1.00268  -0.00001   0.00023   0.00004   0.00027  -1.00240
   D103      -3.01495  -0.00001   0.00022   0.00008   0.00030  -3.01465
   D104      -3.01188   0.00000   0.00018   0.00001   0.00020  -3.01168
   D105       1.14411   0.00000   0.00022   0.00004   0.00026   1.14437
   D106      -0.86816   0.00000   0.00021   0.00008   0.00029  -0.86787
   D107      -0.92809   0.00000   0.00022   0.00003   0.00025  -0.92784
   D108      -3.05528   0.00000   0.00026   0.00006   0.00032  -3.05497
   D109       1.21563   0.00000   0.00025   0.00010   0.00034   1.21597
   D110      -1.63895   0.00000   0.00019   0.00011   0.00030  -1.63865
   D111       1.51090   0.00000   0.00019   0.00011   0.00029   1.51119
   D112       0.49781   0.00000   0.00021   0.00013   0.00034   0.49815
   D113      -2.63553   0.00000   0.00021   0.00013   0.00034  -2.63520
   D114       2.49826   0.00000   0.00020   0.00014   0.00034   2.49859
   D115      -0.63508   0.00000   0.00019   0.00014   0.00033  -0.63475
   D116       3.13976   0.00000   0.00001   0.00000   0.00001   3.13976
   D117      -0.01842   0.00000   0.00000  -0.00002  -0.00002  -0.01844
   D118      -0.01000   0.00000   0.00001   0.00000   0.00001  -0.00999
   D119       3.11501   0.00000   0.00000  -0.00002  -0.00002   3.11499
   D120      -3.13917   0.00000   0.00000   0.00000  -0.00001  -3.13918
   D121       0.01000   0.00000   0.00000  -0.00001  -0.00002   0.00998
   D122       0.01063   0.00000  -0.00001   0.00000  -0.00001   0.01062
   D123      -3.12339   0.00000  -0.00001  -0.00001  -0.00002  -3.12341
   D124       0.00167   0.00000  -0.00001   0.00000   0.00000   0.00166
   D125       3.13800   0.00000  -0.00002   0.00000  -0.00001   3.13798
   D126      -3.12342   0.00000   0.00000   0.00002   0.00002  -3.12340
   D127       0.01291   0.00000  -0.00001   0.00002   0.00001   0.01292
   D128       0.00608   0.00000   0.00000   0.00000   0.00000   0.00608
   D129       3.14132   0.00000   0.00000  -0.00001  -0.00001   3.14131
   D130      -3.13024   0.00000   0.00001   0.00000   0.00001  -3.13023
   D131       0.00500   0.00000   0.00001   0.00000   0.00000   0.00500
   D132      -0.00544   0.00000   0.00000   0.00000   0.00000  -0.00545
   D133       3.13312   0.00000   0.00000   0.00000  -0.00001   3.13312
   D134      -3.14068   0.00000   0.00000   0.00000   0.00000  -3.14068
   D135      -0.00212   0.00000   0.00000   0.00000   0.00000  -0.00212
   D136      -0.00294   0.00000   0.00000   0.00000   0.00001  -0.00294
   D137       3.13111   0.00000   0.00000   0.00001   0.00002   3.13113
   D138      -3.14151   0.00000   0.00000   0.00001   0.00001  -3.14150
   D139      -0.00746   0.00000   0.00001   0.00002   0.00002  -0.00744
   D140      -1.83801   0.00000   0.00008  -0.00035  -0.00026  -1.83827
   D141       2.45726  -0.00001  -0.00005  -0.00031  -0.00037   2.45689
   D142       0.24747  -0.00001  -0.00008  -0.00034  -0.00042   0.24705
   D143       0.30535   0.00000   0.00000  -0.00036  -0.00037   0.30499
   D144      -1.68256  -0.00001  -0.00014  -0.00033  -0.00047  -1.68303
   D145       2.39083  -0.00001  -0.00017  -0.00035  -0.00052   2.39031
   D146       2.31842   0.00001   0.00003  -0.00041  -0.00038   2.31804
   D147       0.33050  -0.00001  -0.00011  -0.00038  -0.00048   0.33002
   D148      -1.87929  -0.00001  -0.00013  -0.00040  -0.00053  -1.87982
   D149       1.18436  -0.00001  -0.00053  -0.00011  -0.00063   1.18372
   D150      -2.96141   0.00000  -0.00049  -0.00013  -0.00062  -2.96204
   D151      -0.92900   0.00000  -0.00043  -0.00013  -0.00056  -0.92956
   D152      -0.95821   0.00000  -0.00027   0.00021  -0.00006  -0.95827
   D153      -3.11609  -0.00001  -0.00027   0.00018  -0.00009  -3.11618
   D154       1.16695  -0.00001  -0.00026   0.00015  -0.00011   1.16684
   D155      -3.02077   0.00001  -0.00039   0.00027  -0.00012  -3.02089
   D156       1.10453   0.00000  -0.00038   0.00024  -0.00015   1.10438
   D157      -0.89561   0.00000  -0.00038   0.00020  -0.00017  -0.89578
   D158       1.25639   0.00000  -0.00030   0.00025  -0.00005   1.25635
   D159      -0.90149  -0.00001  -0.00030   0.00022  -0.00007  -0.90156
   D160      -2.90163   0.00000  -0.00029   0.00019  -0.00010  -2.90173
   D161       3.00503   0.00000   0.00023   0.00048   0.00072   3.00575
   D162      -1.13742   0.00001   0.00027   0.00050   0.00077  -1.13665
   D163       0.86828   0.00000   0.00026   0.00050   0.00077   0.86904
   D164      -1.15573   0.00000   0.00019   0.00051   0.00070  -1.15503
   D165       0.98500   0.00000   0.00023   0.00052   0.00075   0.98576
   D166       2.99070   0.00000   0.00022   0.00053   0.00075   2.99145
   D167       0.88831   0.00000   0.00017   0.00056   0.00073   0.88904
   D168       3.02904   0.00001   0.00021   0.00058   0.00079   3.02983
   D169      -1.24844   0.00000   0.00020   0.00058   0.00078  -1.24766
   D170       1.13470  -0.00001   0.00006   0.00008   0.00014   1.13484
   D171      -1.31774  -0.00001   0.00045  -0.00009   0.00036  -1.31738
   D172      -1.02226   0.00000   0.00005   0.00009   0.00014  -1.02212
   D173       2.80848   0.00000   0.00044  -0.00007   0.00037   2.80885
   D174      -3.11003  -0.00001   0.00009   0.00007   0.00016  -3.10987
   D175       0.72071   0.00000   0.00048  -0.00010   0.00038   0.72110
   D176       1.68789   0.00000   0.00030   0.00051   0.00081   1.68871
   D177      -1.45742   0.00000   0.00027   0.00050   0.00077  -1.45665
   D178      -0.45092   0.00000   0.00028   0.00051   0.00079  -0.45014
   D179       2.68695   0.00000   0.00025   0.00049   0.00074   2.68769
   D180      -2.46707   0.00000   0.00027   0.00049   0.00076  -2.46631
   D181       0.67080   0.00000   0.00024   0.00047   0.00071   0.67152
   D182       3.13466   0.00000  -0.00005  -0.00002  -0.00007   3.13459
   D183      -0.01465   0.00000  -0.00006  -0.00002  -0.00009  -0.01473
   D184      -0.00324   0.00000  -0.00002   0.00000  -0.00003  -0.00327
   D185       3.13064   0.00000  -0.00004   0.00000  -0.00004   3.13060
   D186      -3.13456   0.00000   0.00004   0.00002   0.00006  -3.13450
   D187       0.00786   0.00000   0.00005   0.00001   0.00007   0.00792
   D188       0.00332   0.00000   0.00001   0.00000   0.00001   0.00334
   D189      -3.13745   0.00000   0.00003  -0.00001   0.00002  -3.13743
   D190       0.00058   0.00000   0.00001   0.00000   0.00001   0.00059
   D191       3.14099   0.00000   0.00001   0.00000   0.00001   3.14100
   D192      -3.13325   0.00000   0.00003   0.00000   0.00003  -3.13322
   D193       0.00716   0.00000   0.00002   0.00000   0.00003   0.00719
   D194       0.00201   0.00000   0.00001   0.00000   0.00001   0.00202
   D195      -3.14072   0.00000   0.00001   0.00000   0.00001  -3.14071
   D196      -3.13840   0.00000   0.00001   0.00000   0.00001  -3.13838
   D197       0.00206   0.00000   0.00001   0.00000   0.00001   0.00207
   D198      -0.00193   0.00000  -0.00002   0.00000  -0.00002  -0.00195
   D199       3.13946   0.00000  -0.00002   0.00000  -0.00002   3.13944
   D200       3.14080   0.00000  -0.00002  -0.00001  -0.00002   3.14078
   D201      -0.00100   0.00000  -0.00002   0.00000  -0.00002  -0.00102
   D202      -0.00074   0.00000   0.00000   0.00000   0.00001  -0.00073
   D203       3.14003   0.00000  -0.00001   0.00001   0.00000   3.14004
   D204       3.14106   0.00000   0.00001   0.00000   0.00001   3.14107
   D205      -0.00135   0.00000   0.00000   0.00001   0.00000  -0.00135
   D206       0.56557   0.00000   0.00038  -0.00002   0.00036   0.56594
   D207      -2.62639   0.00000   0.00046   0.00000   0.00046  -2.62593
   D208       2.99976   0.00000  -0.00002   0.00017   0.00015   2.99991
   D209      -0.19220   0.00000   0.00006   0.00018   0.00025  -0.19195
   D210       3.10121  -0.00001   0.00016   0.00002   0.00019   3.10140
   D211      -0.08647  -0.00001   0.00024   0.00004   0.00028  -0.08619
   D212      -1.14979  -0.00001  -0.00030   0.00009  -0.00021  -1.15000
   D213       3.03407   0.00000  -0.00032   0.00013  -0.00019   3.03387
   D214       1.01034   0.00000  -0.00031   0.00011  -0.00020   1.01014
   D215      -2.05180   0.00000   0.00013  -0.00002   0.00011  -2.05169
   D216       1.06886   0.00000  -0.00001  -0.00007  -0.00008   1.06878
   D217      -0.09389   0.00000   0.00010  -0.00005   0.00005  -0.09384
   D218       3.02677   0.00000  -0.00003  -0.00010  -0.00013   3.02664
   D219       2.11672   0.00000   0.00014  -0.00002   0.00012   2.11684
   D220      -1.04580   0.00000   0.00000  -0.00007  -0.00007  -1.04587
   D221       3.13791   0.00000  -0.00019   0.00001  -0.00018   3.13773
   D222      -0.01240   0.00000  -0.00030  -0.00007  -0.00036  -0.01276
   D223       0.01558   0.00000  -0.00007   0.00006  -0.00001   0.01557
   D224      -3.13473   0.00000  -0.00017  -0.00002  -0.00019  -3.13493
   D225       3.13857   0.00000   0.00015  -0.00004   0.00011   3.13868
   D226      -0.01997   0.00000   0.00004  -0.00008  -0.00005  -0.02002
   D227       0.00022   0.00000   0.00007   0.00001   0.00008   0.00030
   D228      -3.13353   0.00001   0.00017   0.00008   0.00025  -3.13329
   D229      -0.01625   0.00000  -0.00004  -0.00008  -0.00012  -0.01637
   D230      -3.11780   0.00000  -0.00009   0.00002  -0.00008  -3.11788
   D231       0.02130   0.00000   0.00000   0.00009   0.00010   0.02139
   D232       3.12446   0.00000   0.00005   0.00000   0.00006   3.12452
   D233      -0.98535   0.00000  -0.00105  -0.00042  -0.00147  -0.98683
   D234       1.10805   0.00000  -0.00109  -0.00039  -0.00149   1.10656
   D235      -3.07419   0.00000  -0.00100  -0.00043  -0.00143  -3.07562
   D236       3.13154   0.00000  -0.00114  -0.00040  -0.00154   3.13000
   D237      -1.05825   0.00000  -0.00118  -0.00037  -0.00155  -1.05980
   D238       1.04270   0.00000  -0.00109  -0.00041  -0.00150   1.04121
   D239       1.06381   0.00000  -0.00112  -0.00040  -0.00152   1.06229
   D240      -3.12597   0.00000  -0.00116  -0.00038  -0.00153  -3.12751
   D241      -1.02502   0.00000  -0.00107  -0.00041  -0.00148  -1.02650
   D242       2.96208  -0.00001  -0.00037  -0.00028  -0.00065   2.96143
   D243      -1.24771   0.00000  -0.00034  -0.00028  -0.00062  -1.24833
   D244       0.88120   0.00000  -0.00033  -0.00027  -0.00060   0.88060
   D245      -1.13159   0.00000  -0.00036  -0.00026  -0.00062  -1.13221
   D246       0.94180   0.00000  -0.00033  -0.00026  -0.00059   0.94121
   D247       3.07072   0.00000  -0.00032  -0.00025  -0.00057   3.07014
   D248       0.93807   0.00000  -0.00038  -0.00024  -0.00062   0.93745
   D249       3.01147   0.00000  -0.00035  -0.00024  -0.00059   3.01088
   D250      -1.14280   0.00000  -0.00034  -0.00023  -0.00058  -1.14338
   D251       0.00098   0.00000   0.00000   0.00015   0.00015   0.00112
   D252       3.13402   0.00000   0.00001   0.00006   0.00007   3.13410
         Item               Value     Threshold  Converged?
 Maximum Force            0.000046     0.000450     YES
 RMS     Force            0.000007     0.000300     YES
 Maximum Displacement     0.006341     0.001800     NO 
 RMS     Displacement     0.001051     0.001200     YES
 Predicted change in Energy=-1.145100D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.774481   -2.050535    0.948223
      2          6           0       -9.316966   -1.004994   -0.073538
      3          6           0      -10.086410    0.310980    0.075261
      4          6           0       -7.844936   -0.766548    0.050860
      5          7           0       -6.934591   -1.002373   -0.862853
      6          6           0       -5.626894   -0.668587   -0.421861
      7          6           0       -4.490444   -0.906340   -1.376287
      8          7           0       -3.891986    0.346296   -1.903808
      9          6           0       -4.767062    1.075119   -2.863774
     10          6           0       -3.071756    1.169510   -1.090254
     11          8           0       -2.878622    2.352836   -1.349262
     12          7           0       -2.426482    0.560479    0.028125
     13          6           0       -1.294441    1.315743    0.612255
     14          6           0       -0.009561    1.071942   -0.207196
     15          8           0        0.227232    0.023194   -0.797057
     16          7           0        0.904430    2.119767   -0.216022
     17          6           0        2.188690    2.025026   -0.963885
     18          6           0        2.465177    3.348905   -1.710088
     19          6           0        2.557057    4.556593   -0.819075
     20          6           0        1.420236    5.348527   -0.590844
     21          6           0        1.501525    6.470209    0.238305
     22          6           0        2.714744    6.812019    0.843867
     23          6           0        3.850748    6.030434    0.610914
     24          6           0        3.775683    4.907896   -0.217996
     25          6           0        3.334804    1.642584   -0.003714
     26          6           0        3.127405    0.243101    0.585542
     27          8           0        2.701737    0.362774    1.960077
     28          6           0        4.416357   -0.619886    0.726043
     29          6           0        5.164317   -0.748971   -0.610870
     30          6           0        6.499287   -1.419470   -0.439391
     31          6           0        6.627523   -2.795188   -0.685386
     32          6           0        7.868019   -3.418997   -0.535052
     33          6           0        8.985926   -2.676955   -0.138692
     34          6           0        8.858658   -1.306904    0.109693
     35          6           0        7.619965   -0.676477   -0.038820
     36          7           0        4.029145   -1.955917    1.279063
     37          6           0        3.215497   -2.787755    0.507467
     38          8           0        3.163737   -2.898029   -0.707872
     39          8           0        2.449630   -3.585844    1.347444
     40          6           0        1.501534   -4.481271    0.682754
     41          6           0        0.454066   -3.701115   -0.004603
     42          6           0       -0.898791   -3.663190    0.199083
     43          7           0       -1.611102   -2.789141   -0.647526
     44          6           0       -0.805435   -2.166890   -1.489559
     45         16           0        0.888959   -2.591233   -1.284531
     46          6           0       -1.111332    0.889342    2.098362
     47          6           0       -0.559583   -0.528378    2.240185
     48          6           0       -0.221459    1.895538    2.834456
     49          6           0       -5.550483   -0.167298    0.846193
     50         16           0       -7.137232   -0.095444    1.546424
     51          1           0      -10.830445   -2.305467    0.799811
     52          1           0       -9.197119   -2.979359    0.856684
     53          1           0       -9.668767   -1.698451    1.981140
     54          1           0       -9.511462   -1.412991   -1.106839
     55          1           0       -9.994176    0.736775    1.081476
     56          1           0       -9.729778    1.067050   -0.635464
     57          1           0      -11.155819    0.161359   -0.115047
     58          1           0       -3.701589   -1.533922   -0.887289
     59          1           0       -4.842686   -1.510579   -2.251893
     60          1           0       -4.847082    0.479737   -3.788018
     61          1           0       -4.322353    2.055804   -3.120095
     62          1           0       -5.780169    1.249758   -2.465832
     63          1           0       -2.284945   -0.460091    0.013766
     64          1           0       -1.566538    2.412145    0.573184
     65          1           0        0.716019    2.999238    0.260675
     66          1           0        2.076006    1.206466   -1.734884
     67          1           0        1.667523    3.499937   -2.472029
     68          1           0        3.397875    3.238407   -2.302166
     69          1           0        0.474119    5.100203   -1.071812
     70          1           0        0.616538    7.082550    0.408669
     71          1           0        2.776100    7.686052    1.489027
     72          1           0        4.799143    6.298625    1.074846
     73          1           0        4.667310    4.312088   -0.400661
     74          1           0        3.419895    2.378818    0.823061
     75          1           0        4.300476    1.704451   -0.545379
     76          1           0        2.339599   -0.318587    0.019068
     77          1           0        1.789751    0.756197    2.007677
     78          1           0        5.088962   -0.153670    1.498197
     79          1           0        4.539660   -1.315952   -1.344703
     80          1           0        5.294436    0.258837   -1.060363
     81          1           0        5.752460   -3.373616   -0.986929
     82          1           0        7.963969   -4.486541   -0.726144
     83          1           0        9.950865   -3.164958   -0.023170
     84          1           0        9.726680   -0.728265    0.420075
     85          1           0        7.529231    0.388503    0.157614
     86          1           0        3.817105   -1.930071    2.287421
     87          1           0        1.125563   -5.062108    1.549413
     88          1           0        2.069167   -5.137544   -0.008126
     89          1           0       -1.467777   -4.232055    0.926267
     90          1           0       -1.119706   -1.430161   -2.223448
     91          1           0       -2.132775    0.919109    2.564723
     92          1           0       -1.189800   -1.268590    1.728836
     93          1           0        0.449937   -0.638240    1.818105
     94          1           0       -0.502221   -0.830127    3.292544
     95          1           0       -0.236479    1.706060    3.916486
     96          1           0        0.833743    1.831531    2.521842
     97          1           0       -0.553160    2.929508    2.690114
     98          1           0       -4.673605    0.159427    1.382326
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0813411      0.0289512      0.0233420
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.7870009893 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258573478136     A.U. after   12 cycles
             Convg  =    0.5738D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000139   -0.000000570   -0.000001619
      2        6           0.000001228    0.000001296    0.000003047
      3        6           0.000002062   -0.000000475   -0.000000519
      4        6          -0.000005179    0.000003881   -0.000013577
      5        7           0.000000168    0.000000893    0.000005785
      6        6          -0.000003592    0.000001422    0.000006156
      7        6           0.000012519   -0.000008060   -0.000006007
      8        7          -0.000013419    0.000034957   -0.000009486
      9        6           0.000007989   -0.000005425   -0.000000140
     10        6          -0.000005661   -0.000023762    0.000034008
     11        8           0.000008262   -0.000007899   -0.000012666
     12        7          -0.000007315    0.000036786   -0.000016327
     13        6           0.000008930    0.000001998   -0.000005275
     14        6          -0.000013336    0.000020303    0.000022191
     15        8          -0.000005430   -0.000008741   -0.000003208
     16        7           0.000007495    0.000011992   -0.000015568
     17        6          -0.000008322   -0.000003578    0.000023231
     18        6           0.000004188   -0.000014572   -0.000009276
     19        6           0.000000858    0.000007196   -0.000002331
     20        6          -0.000000639    0.000001024    0.000001220
     21        6          -0.000000345   -0.000001935   -0.000000298
     22        6           0.000001820   -0.000000050   -0.000000482
     23        6          -0.000001682    0.000000473    0.000000616
     24        6          -0.000000899   -0.000003699   -0.000000725
     25        6           0.000014974    0.000013433    0.000013299
     26        6           0.000013106    0.000009104   -0.000027123
     27        8           0.000001015   -0.000007582   -0.000003772
     28        6          -0.000030278   -0.000002445    0.000012653
     29        6           0.000001115   -0.000002247    0.000000692
     30        6           0.000004057    0.000012447    0.000002782
     31        6          -0.000002564   -0.000007660   -0.000003330
     32        6           0.000001316    0.000000045   -0.000000440
     33        6          -0.000001663   -0.000000722   -0.000000286
     34        6          -0.000001143   -0.000001337    0.000000338
     35        6           0.000000488   -0.000002109    0.000001552
     36        7           0.000012510   -0.000010066   -0.000002887
     37        6           0.000015359    0.000000508    0.000016377
     38        8          -0.000000128    0.000009523   -0.000007135
     39        8          -0.000013301    0.000010751   -0.000001994
     40        6          -0.000002836    0.000006446   -0.000029555
     41        6           0.000005804    0.000000106    0.000051573
     42        6          -0.000016593   -0.000009517   -0.000020748
     43        7           0.000007235    0.000005694    0.000003135
     44        6           0.000011722    0.000002836    0.000001696
     45       16          -0.000020629   -0.000007706   -0.000036082
     46        6          -0.000004414   -0.000001181    0.000016688
     47        6           0.000021486    0.000003194   -0.000003798
     48        6           0.000012113   -0.000006880   -0.000001606
     49        6          -0.000010999   -0.000001638   -0.000012489
     50       16           0.000006356   -0.000003468    0.000010963
     51        1          -0.000000379   -0.000000135    0.000000592
     52        1           0.000000295    0.000000756    0.000000520
     53        1           0.000000504    0.000000055    0.000001077
     54        1          -0.000000235   -0.000001562    0.000000376
     55        1           0.000000354   -0.000000065   -0.000000256
     56        1           0.000000828    0.000000703   -0.000000424
     57        1          -0.000001125   -0.000000634   -0.000000050
     58        1          -0.000009132    0.000001167    0.000007492
     59        1           0.000004254   -0.000001543   -0.000000126
     60        1           0.000003234    0.000002208    0.000002594
     61        1          -0.000004238    0.000003063    0.000000334
     62        1          -0.000001110   -0.000004526   -0.000002992
     63        1           0.000012782   -0.000016649   -0.000012734
     64        1           0.000000746   -0.000016523   -0.000007597
     65        1          -0.000000978   -0.000002598    0.000000352
     66        1           0.000003816   -0.000004875    0.000000787
     67        1          -0.000000411   -0.000000194    0.000000125
     68        1          -0.000002715    0.000002340   -0.000000564
     69        1           0.000000295   -0.000000759   -0.000001237
     70        1           0.000000812    0.000000293    0.000000812
     71        1          -0.000000363   -0.000000089    0.000000019
     72        1          -0.000000061   -0.000000203   -0.000000386
     73        1          -0.000000357   -0.000000172   -0.000000149
     74        1          -0.000006351   -0.000007645   -0.000001401
     75        1          -0.000004957   -0.000004550   -0.000003558
     76        1          -0.000004715   -0.000002560    0.000002185
     77        1           0.000000045   -0.000000442   -0.000001995
     78        1           0.000001806    0.000001022   -0.000005578
     79        1          -0.000000238   -0.000001896    0.000002759
     80        1           0.000000850   -0.000002074   -0.000003734
     81        1           0.000003769    0.000003504   -0.000000670
     82        1          -0.000000465    0.000000692    0.000000860
     83        1           0.000000631    0.000000669    0.000000424
     84        1           0.000000634   -0.000000285   -0.000000446
     85        1          -0.000000732   -0.000001506   -0.000001020
     86        1          -0.000005783    0.000003543   -0.000004716
     87        1           0.000013816    0.000002929    0.000027960
     88        1           0.000000004   -0.000008975   -0.000000740
     89        1           0.000003435    0.000003212    0.000005132
     90        1           0.000000888   -0.000001885    0.000001919
     91        1          -0.000006444   -0.000002096    0.000001253
     92        1          -0.000003250   -0.000004650   -0.000001802
     93        1          -0.000005276    0.000006810    0.000013368
     94        1          -0.000012367   -0.000000951    0.000001544
     95        1           0.000003920    0.000001355   -0.000000875
     96        1          -0.000004512   -0.000000597   -0.000001625
     97        1          -0.000000121   -0.000000881   -0.000000286
     98        1           0.000004931    0.000004214    0.000003224
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000051573 RMS     0.000009050

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000035252 RMS     0.000005669
 Search for a local minimum.
 Step number  86 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   70   73   72   74   75
                                                     76   77   78   79   80
                                                     81   82   83   84   85
                                                     86
 DE= -1.62D-07 DEPred=-1.15D-07 R= 1.42D+00
 Trust test= 1.42D+00 RLast= 9.34D-03 DXMaxT set to 3.35D-01
     Eigenvalues ---    0.00067   0.00092   0.00126   0.00202   0.00227
     Eigenvalues ---    0.00245   0.00281   0.00348   0.00414   0.00546
     Eigenvalues ---    0.00614   0.00666   0.00708   0.00769   0.00853
     Eigenvalues ---    0.00884   0.00980   0.01062   0.01144   0.01238
     Eigenvalues ---    0.01319   0.01406   0.01420   0.01465   0.01500
     Eigenvalues ---    0.01557   0.01601   0.01703   0.01742   0.01773
     Eigenvalues ---    0.01930   0.02045   0.02126   0.02194   0.02196
     Eigenvalues ---    0.02205   0.02221   0.02257   0.02268   0.02287
     Eigenvalues ---    0.02300   0.02329   0.02371   0.02399   0.02406
     Eigenvalues ---    0.02410   0.02417   0.02448   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02573   0.02647   0.02704
     Eigenvalues ---    0.02917   0.02951   0.03356   0.03945   0.04014
     Eigenvalues ---    0.04142   0.04163   0.04179   0.04446   0.04477
     Eigenvalues ---    0.04602   0.04722   0.04943   0.04966   0.05092
     Eigenvalues ---    0.05191   0.05193   0.05298   0.05378   0.05428
     Eigenvalues ---    0.05490   0.05509   0.05534   0.05576   0.05642
     Eigenvalues ---    0.05723   0.05751   0.05829   0.05852   0.05913
     Eigenvalues ---    0.05984   0.06024   0.06141   0.06231   0.06442
     Eigenvalues ---    0.06508   0.06745   0.06917   0.07089   0.07214
     Eigenvalues ---    0.07536   0.08207   0.08517   0.08620   0.08766
     Eigenvalues ---    0.09307   0.09604   0.09903   0.10344   0.11580
     Eigenvalues ---    0.12092   0.12907   0.13119   0.13273   0.13433
     Eigenvalues ---    0.13823   0.14101   0.14593   0.15504   0.15638
     Eigenvalues ---    0.15730   0.15857   0.15920   0.15961   0.15982
     Eigenvalues ---    0.15984   0.15986   0.15993   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16001   0.16002   0.16004   0.16017   0.16022
     Eigenvalues ---    0.16039   0.16085   0.16098   0.16106   0.16163
     Eigenvalues ---    0.16196   0.16456   0.16841   0.16928   0.17432
     Eigenvalues ---    0.17820   0.17966   0.18275   0.18750   0.19143
     Eigenvalues ---    0.19797   0.20584   0.20738   0.21052   0.21825
     Eigenvalues ---    0.21875   0.22000   0.22001   0.22004   0.22171
     Eigenvalues ---    0.22207   0.22456   0.22796   0.23096   0.23453
     Eigenvalues ---    0.23500   0.23686   0.23746   0.24017   0.24240
     Eigenvalues ---    0.24381   0.24619   0.24905   0.25048   0.25106
     Eigenvalues ---    0.25238   0.25322   0.25603   0.26491   0.27494
     Eigenvalues ---    0.28350   0.29422   0.29836   0.29918   0.29983
     Eigenvalues ---    0.30140   0.30322   0.30432   0.30537   0.30657
     Eigenvalues ---    0.30815   0.31299   0.31419   0.31428   0.31458
     Eigenvalues ---    0.31487   0.31520   0.31664   0.31815   0.31943
     Eigenvalues ---    0.32042   0.32104   0.32349   0.32450   0.32514
     Eigenvalues ---    0.32615   0.32674   0.32785   0.32879   0.32967
     Eigenvalues ---    0.33021   0.33051   0.33084   0.33136   0.33205
     Eigenvalues ---    0.33264   0.33497   0.33537   0.33615   0.33676
     Eigenvalues ---    0.33784   0.33821   0.33971   0.33989   0.34047
     Eigenvalues ---    0.34157   0.34228   0.34271   0.34328   0.34392
     Eigenvalues ---    0.34487   0.34605   0.34746   0.34762   0.35681
     Eigenvalues ---    0.35831   0.36249   0.36312   0.36379   0.36630
     Eigenvalues ---    0.36753   0.36848   0.36967   0.37194   0.37498
     Eigenvalues ---    0.38386   0.38637   0.39290   0.40307   0.40900
     Eigenvalues ---    0.41375   0.42237   0.42498   0.42992   0.43226
     Eigenvalues ---    0.43390   0.43854   0.44325   0.45257   0.45999
     Eigenvalues ---    0.46246   0.47144   0.47578   0.48329   0.48497
     Eigenvalues ---    0.48635   0.48844   0.49061   0.49441   0.50314
     Eigenvalues ---    0.51002   0.51217   0.51382   0.51821   0.55353
     Eigenvalues ---    0.56563   0.58770   0.59870   0.62356   0.63360
     Eigenvalues ---    0.65726   0.68989   0.78013   0.79010   0.85295
     Eigenvalues ---    1.44671   1.84860   4.169301000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    86   85   84   83   82
 RFO step:  Lambda=-2.96411872D-08.
 DIIS coeffs:      1.69896     -0.59631     -0.29780      0.21268     -0.01752
 Iteration  1 RMS(Cart)=  0.00132288 RMS(Int)=  0.00000058
 Iteration  2 RMS(Cart)=  0.00000176 RMS(Int)=  0.00000001
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89472   0.00000  -0.00001   0.00000   0.00000   2.89472
    R2        2.07188   0.00000   0.00000   0.00000   0.00000   2.07188
    R3        2.07392   0.00000   0.00000   0.00000   0.00000   2.07392
    R4        2.07186   0.00000   0.00000   0.00000   0.00000   2.07186
    R5        2.89441   0.00000   0.00000   0.00000   0.00001   2.89442
    R6        2.82778   0.00000   0.00001   0.00000   0.00001   2.82779
    R7        2.13129   0.00000   0.00000   0.00000   0.00000   2.13129
    R8        2.07205   0.00000   0.00000   0.00000   0.00000   2.07205
    R9        2.07350   0.00000   0.00000   0.00000   0.00000   2.07350
   R10        2.07202   0.00000   0.00000   0.00000   0.00000   2.07202
   R11        2.47779   0.00000   0.00001  -0.00001   0.00001   2.47779
   R12        3.37407   0.00001  -0.00004   0.00000  -0.00004   3.37403
   R13        2.68312   0.00000   0.00000  -0.00001  -0.00001   2.68311
   R14        2.84024   0.00000   0.00002  -0.00004  -0.00002   2.84021
   R15        2.58077   0.00000   0.00001  -0.00001   0.00000   2.58076
   R16        2.80643   0.00000   0.00003   0.00000   0.00002   2.80646
   R17        2.11723   0.00001   0.00000   0.00002   0.00002   2.11724
   R18        2.11773   0.00000  -0.00001   0.00000  -0.00002   2.11771
   R19        2.81466   0.00000   0.00000   0.00001   0.00001   2.81467
   R20        2.68070   0.00002   0.00003   0.00004   0.00007   2.68077
   R21        2.08308   0.00000  -0.00001  -0.00001  -0.00002   2.08307
   R22        2.09172   0.00000  -0.00001   0.00000  -0.00001   2.09171
   R23        2.08320   0.00000   0.00001   0.00000   0.00000   2.08320
   R24        2.31801   0.00002   0.00000   0.00000   0.00000   2.31801
   R25        2.69779  -0.00002  -0.00001  -0.00004  -0.00005   2.69775
   R26        2.79855   0.00001  -0.00001  -0.00001  -0.00003   2.79852
   R27        1.94725  -0.00002  -0.00003  -0.00003  -0.00006   1.94719
   R28        2.91646   0.00001  -0.00002   0.00002   0.00000   2.91646
   R29        2.94207   0.00002   0.00001   0.00002   0.00003   2.94210
   R30        2.13603   0.00002   0.00004   0.00002   0.00005   2.13608
   R31        2.31742   0.00000   0.00000   0.00000   0.00000   2.31742
   R32        2.62760   0.00001   0.00002   0.00001   0.00003   2.62763
   R33        2.81411   0.00000   0.00002   0.00001   0.00002   2.81413
   R34        1.92363   0.00000  -0.00002   0.00000  -0.00001   1.92362
   R35        2.91895   0.00002  -0.00003   0.00004   0.00001   2.91896
   R36        2.91641  -0.00001   0.00000   0.00000   0.00000   2.91641
   R37        2.13562  -0.00001  -0.00002  -0.00001  -0.00002   2.13560
   R38        2.84142   0.00000  -0.00001   0.00000  -0.00001   2.84141
   R39        2.10399   0.00000   0.00000   0.00000   0.00000   2.10398
   R40        2.09810   0.00000   0.00000   0.00000   0.00001   2.09811
   R41        2.65344   0.00000   0.00001   0.00000   0.00001   2.65345
   R42        2.65219   0.00000  -0.00001   0.00000   0.00000   2.65219
   R43        2.64039   0.00000  -0.00001   0.00000  -0.00001   2.64038
   R44        2.05983   0.00000   0.00000   0.00000   0.00000   2.05983
   R45        2.64254   0.00000   0.00001   0.00000   0.00001   2.64255
   R46        2.05901   0.00000   0.00000   0.00000   0.00000   2.05901
   R47        2.64268   0.00000  -0.00001   0.00000  -0.00001   2.64267
   R48        2.05618   0.00000   0.00000   0.00000   0.00000   2.05618
   R49        2.64077   0.00000   0.00001   0.00000   0.00001   2.64077
   R50        2.05851   0.00000   0.00000   0.00000   0.00000   2.05851
   R51        2.05568   0.00000   0.00000   0.00000   0.00000   2.05568
   R52        2.89615  -0.00002  -0.00001   0.00000  -0.00002   2.89613
   R53        2.09822   0.00001   0.00003   0.00001   0.00003   2.09826
   R54        2.09560   0.00001  -0.00002   0.00000  -0.00002   2.09557
   R55        2.72858   0.00000   0.00003   0.00000   0.00003   2.72861
   R56        2.94330   0.00001  -0.00002   0.00002  -0.00001   2.94329
   R57        2.11871   0.00000   0.00001  -0.00001   0.00000   2.11871
   R58        1.87908   0.00000   0.00007  -0.00001   0.00006   1.87914
   R59        2.90517   0.00000   0.00001  -0.00001   0.00000   2.90517
   R60        2.82875   0.00001   0.00001  -0.00003  -0.00002   2.82873
   R61        2.12624   0.00000  -0.00002   0.00000  -0.00002   2.12622
   R62        2.84159   0.00000  -0.00001   0.00000   0.00000   2.84158
   R63        2.11293   0.00000  -0.00002   0.00000  -0.00002   2.11291
   R64        2.09977   0.00000   0.00000   0.00000   0.00000   2.09976
   R65        2.65206  -0.00001  -0.00001   0.00000  -0.00001   2.65205
   R66        2.65129   0.00000   0.00001   0.00001   0.00001   2.65130
   R67        2.63924   0.00000   0.00000   0.00000   0.00001   2.63925
   R68        2.06252   0.00000   0.00000   0.00001   0.00002   2.06254
   R69        2.64389   0.00000  -0.00001   0.00000  -0.00001   2.64388
   R70        2.05744   0.00000   0.00000   0.00000   0.00000   2.05744
   R71        2.64219   0.00000   0.00000   0.00000   0.00001   2.64220
   R72        2.05503   0.00000   0.00000   0.00000   0.00000   2.05503
   R73        2.64146   0.00000   0.00000   0.00000  -0.00001   2.64146
   R74        2.05678   0.00000   0.00000   0.00000   0.00000   2.05678
   R75        2.05364   0.00000   0.00000   0.00000   0.00000   2.05364
   R76        2.63841   0.00001   0.00001   0.00001   0.00001   2.63843
   R77        1.94781  -0.00001  -0.00002  -0.00001  -0.00003   1.94778
   R78        2.30817   0.00001   0.00000   0.00001   0.00001   2.30817
   R79        2.62465   0.00000  -0.00003  -0.00001  -0.00004   2.62461
   R80        2.76604  -0.00001   0.00002   0.00000   0.00002   2.76605
   R81        2.78905  -0.00001   0.00000  -0.00001  -0.00001   2.78905
   R82        2.09566   0.00003   0.00002   0.00003   0.00005   2.09570
   R83        2.09599  -0.00001  -0.00002  -0.00001  -0.00003   2.09596
   R84        2.58634  -0.00001   0.00002  -0.00001   0.00002   2.58635
   R85        3.30523   0.00004  -0.00004   0.00005   0.00000   3.30524
   R86        2.66451   0.00000  -0.00002   0.00000  -0.00002   2.66449
   R87        2.04941   0.00001  -0.00001   0.00001   0.00000   2.04942
   R88        2.49652   0.00000   0.00001   0.00000   0.00001   2.49653
   R89        3.32349   0.00002   0.00001   0.00001   0.00002   3.32351
   R90        2.05288   0.00000  -0.00001  -0.00001  -0.00001   2.05287
   R91        2.88731   0.00001  -0.00001  -0.00003  -0.00004   2.88727
   R92        2.89451   0.00000  -0.00002   0.00001  -0.00001   2.89451
   R93        2.12266  -0.00001   0.00001  -0.00001   0.00000   2.12267
   R94        2.07575  -0.00001  -0.00001   0.00000  -0.00002   2.07573
   R95        2.07814   0.00000   0.00002  -0.00002   0.00000   2.07815
   R96        2.07164   0.00000   0.00001   0.00000   0.00001   2.07165
   R97        2.07605   0.00000   0.00001   0.00000   0.00000   2.07605
   R98        2.08323   0.00000  -0.00002   0.00001  -0.00001   2.08322
   R99        2.07005   0.00000   0.00001   0.00000   0.00001   2.07006
   R100       3.28033   0.00001   0.00001   0.00001   0.00001   3.28034
   R101       2.03802  -0.00001   0.00000  -0.00001  -0.00001   2.03801
    A1        1.93486   0.00000   0.00000   0.00000   0.00000   1.93486
    A2        1.94432   0.00000   0.00000   0.00000   0.00000   1.94432
    A3        1.96105   0.00000   0.00000   0.00000   0.00000   1.96106
    A4        1.87403   0.00000   0.00000  -0.00001   0.00000   1.87403
    A5        1.87032   0.00000   0.00000   0.00000   0.00000   1.87031
    A6        1.87511   0.00000   0.00000   0.00000   0.00000   1.87511
    A7        1.95152   0.00000   0.00001   0.00000   0.00001   1.95152
    A8        1.92530   0.00000   0.00001   0.00000   0.00001   1.92530
    A9        1.88883   0.00000   0.00000   0.00000   0.00000   1.88883
   A10        1.92751   0.00000  -0.00002   0.00001  -0.00001   1.92750
   A11        1.88934   0.00000   0.00000   0.00000   0.00000   1.88934
   A12        1.87911   0.00000   0.00001  -0.00001   0.00000   1.87911
   A13        1.96118   0.00000   0.00000   0.00000   0.00000   1.96118
   A14        1.94531   0.00000  -0.00001   0.00000   0.00000   1.94531
   A15        1.93463   0.00000   0.00000   0.00000   0.00000   1.93463
   A16        1.87495   0.00000   0.00000   0.00000   0.00000   1.87495
   A17        1.86953   0.00000   0.00000   0.00000   0.00000   1.86953
   A18        1.87403   0.00000   0.00001   0.00000   0.00000   1.87403
   A19        2.20980   0.00000  -0.00003   0.00000  -0.00004   2.20976
   A20        2.11699   0.00000   0.00002   0.00000   0.00002   2.11701
   A21        1.95640   0.00000   0.00001   0.00000   0.00002   1.95641
   A22        1.96138   0.00000  -0.00001   0.00000  -0.00001   1.96137
   A23        2.05103   0.00000   0.00001  -0.00003  -0.00002   2.05101
   A24        2.01110   0.00000   0.00000   0.00001   0.00000   2.01110
   A25        2.22104   0.00000  -0.00001   0.00002   0.00001   2.22105
   A26        1.97887   0.00001   0.00007   0.00002   0.00008   1.97895
   A27        1.92179   0.00000  -0.00002   0.00001  -0.00001   1.92178
   A28        1.92175  -0.00001   0.00000  -0.00005  -0.00004   1.92170
   A29        1.92172   0.00000  -0.00004   0.00003   0.00000   1.92172
   A30        1.87959   0.00000  -0.00002  -0.00001  -0.00003   1.87956
   A31        1.83413   0.00000   0.00000  -0.00001  -0.00001   1.83413
   A32        1.98768   0.00001  -0.00003  -0.00001  -0.00003   1.98764
   A33        2.11620   0.00000  -0.00005   0.00000  -0.00005   2.11616
   A34        2.01017  -0.00001  -0.00009  -0.00006  -0.00016   2.01002
   A35        1.89520   0.00000   0.00005   0.00003   0.00008   1.89529
   A36        1.92488   0.00000  -0.00010  -0.00006  -0.00015   1.92473
   A37        1.96578   0.00000   0.00003   0.00001   0.00005   1.96583
   A38        1.88971   0.00000   0.00005   0.00002   0.00006   1.88978
   A39        1.89813   0.00000  -0.00002  -0.00001  -0.00003   1.89810
   A40        1.88858   0.00000  -0.00001   0.00000  -0.00001   1.88857
   A41        2.12912  -0.00001   0.00001  -0.00001   0.00000   2.12911
   A42        2.05224   0.00000  -0.00002   0.00001  -0.00001   2.05223
   A43        2.10110   0.00001   0.00001   0.00000   0.00001   2.10111
   A44        2.02299   0.00001   0.00006   0.00005   0.00010   2.02309
   A45        2.06427   0.00000   0.00005   0.00006   0.00011   2.06439
   A46        1.98844   0.00000   0.00006   0.00003   0.00009   1.98853
   A47        1.92454  -0.00001   0.00004  -0.00002   0.00002   1.92455
   A48        1.90364   0.00000  -0.00001   0.00001   0.00000   1.90364
   A49        1.87238   0.00000   0.00003   0.00001   0.00004   1.87242
   A50        1.94512   0.00001  -0.00001   0.00000  -0.00001   1.94511
   A51        1.91271   0.00000  -0.00004   0.00001  -0.00004   1.91267
   A52        1.90389  -0.00001   0.00001  -0.00002  -0.00001   1.90388
   A53        2.15465   0.00001   0.00001   0.00003   0.00004   2.15469
   A54        2.01704   0.00000  -0.00001  -0.00002  -0.00003   2.01701
   A55        2.11120  -0.00001  -0.00001  -0.00001  -0.00001   2.11118
   A56        2.12014  -0.00001   0.00000   0.00002   0.00002   2.12016
   A57        2.12519   0.00001   0.00002   0.00000   0.00002   2.12521
   A58        2.03730   0.00000   0.00000  -0.00002  -0.00002   2.03728
   A59        1.92032   0.00000   0.00000   0.00001   0.00000   1.92033
   A60        1.92173   0.00002  -0.00004   0.00005   0.00001   1.92174
   A61        1.87833  -0.00001   0.00000  -0.00003  -0.00003   1.87830
   A62        1.96061  -0.00001  -0.00001   0.00000  -0.00001   1.96060
   A63        1.88500   0.00001   0.00002  -0.00001   0.00001   1.88501
   A64        1.89548   0.00000   0.00004  -0.00002   0.00002   1.89550
   A65        1.99661   0.00001  -0.00002   0.00002   0.00000   1.99662
   A66        1.89508   0.00000   0.00002   0.00000   0.00002   1.89510
   A67        1.89937   0.00000  -0.00002  -0.00001  -0.00003   1.89933
   A68        1.91809   0.00000   0.00000   0.00000  -0.00001   1.91809
   A69        1.92262   0.00000   0.00002   0.00000   0.00002   1.92264
   A70        1.82389   0.00000   0.00000  -0.00001  -0.00001   1.82388
   A71        2.09422   0.00000   0.00000   0.00000   0.00001   2.09423
   A72        2.10353   0.00000  -0.00001   0.00000  -0.00001   2.10352
   A73        2.08541   0.00000   0.00000   0.00000   0.00000   2.08541
   A74        2.09685   0.00000   0.00000   0.00000   0.00000   2.09685
   A75        2.09732   0.00000  -0.00001   0.00000  -0.00001   2.09731
   A76        2.08890   0.00000   0.00001   0.00000   0.00001   2.08891
   A77        2.09865   0.00000   0.00000   0.00000   0.00000   2.09866
   A78        2.09058   0.00000   0.00001   0.00000   0.00001   2.09059
   A79        2.09394   0.00000  -0.00001   0.00000  -0.00001   2.09393
   A80        2.08981   0.00000   0.00000   0.00000   0.00000   2.08981
   A81        2.09675   0.00000  -0.00001   0.00000  -0.00001   2.09675
   A82        2.09660   0.00000   0.00001   0.00000   0.00001   2.09661
   A83        2.09917   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09289   0.00000   0.00001   0.00000   0.00001   2.09290
   A85        2.09112   0.00000  -0.00001   0.00000  -0.00001   2.09111
   A86        2.09642   0.00000   0.00000   0.00000   0.00000   2.09642
   A87        2.09749   0.00000   0.00001   0.00000   0.00001   2.09750
   A88        2.08925   0.00000   0.00000   0.00000  -0.00001   2.08925
   A89        1.94443  -0.00001  -0.00005   0.00001  -0.00004   1.94439
   A90        1.93464   0.00001  -0.00002   0.00002   0.00000   1.93463
   A91        1.90602   0.00000   0.00005  -0.00001   0.00005   1.90606
   A92        1.90664   0.00000   0.00003   0.00000   0.00003   1.90667
   A93        1.93541   0.00001   0.00004   0.00001   0.00005   1.93546
   A94        1.83380   0.00000  -0.00004  -0.00004  -0.00008   1.83372
   A95        1.90734  -0.00002  -0.00001  -0.00003  -0.00004   1.90730
   A96        2.01379   0.00001  -0.00002   0.00003   0.00001   2.01381
   A97        1.93725   0.00000  -0.00001   0.00003   0.00002   1.93727
   A98        1.77626   0.00001   0.00008  -0.00003   0.00004   1.77630
   A99        1.89162   0.00000  -0.00010   0.00003  -0.00007   1.89156
   A100       1.92783  -0.00001   0.00006  -0.00003   0.00002   1.92785
   A101       1.92702   0.00000  -0.00005  -0.00001  -0.00006   1.92696
   A102       1.95057  -0.00001   0.00000  -0.00002  -0.00003   1.95054
   A103       1.88997   0.00000   0.00000  -0.00002  -0.00002   1.88995
   A104       1.90395   0.00001   0.00000   0.00002   0.00002   1.90397
   A105       1.95216   0.00001   0.00001  -0.00003  -0.00002   1.95214
   A106       1.91850   0.00000  -0.00003   0.00004   0.00000   1.91851
   A107       1.84515   0.00000   0.00003   0.00002   0.00005   1.84520
   A108       1.95002   0.00000   0.00003   0.00001   0.00004   1.95006
   A109       1.91933   0.00000  -0.00002  -0.00004  -0.00006   1.91927
   A110       1.90986   0.00000  -0.00003   0.00001  -0.00002   1.90984
   A111       1.92273   0.00000   0.00002  -0.00001   0.00001   1.92274
   A112       1.92474   0.00000  -0.00001   0.00000  -0.00001   1.92473
   A113       1.83366   0.00000   0.00002   0.00002   0.00004   1.83370
   A114       2.09236   0.00000   0.00002  -0.00001   0.00001   2.09236
   A115       2.10083   0.00000  -0.00002   0.00001  -0.00001   2.10082
   A116       2.08999   0.00000   0.00000   0.00000   0.00000   2.08999
   A117       2.09455   0.00000   0.00000   0.00000   0.00000   2.09454
   A118       2.08826   0.00000   0.00000  -0.00001   0.00000   2.08826
   A119       2.10035   0.00000   0.00000   0.00001   0.00000   2.10036
   A120       2.09821   0.00000   0.00001   0.00000   0.00000   2.09822
   A121       2.09132   0.00000  -0.00001   0.00000  -0.00001   2.09132
   A122       2.09365   0.00000   0.00000   0.00000   0.00000   2.09365
   A123       2.09128   0.00000   0.00000   0.00000   0.00000   2.09128
   A124       2.09564   0.00000   0.00001   0.00000   0.00000   2.09565
   A125       2.09626   0.00000   0.00000   0.00000   0.00000   2.09626
   A126       2.09870   0.00000   0.00000   0.00000   0.00000   2.09870
   A127       2.09325   0.00000   0.00000   0.00000   0.00000   2.09325
   A128       2.09124   0.00000   0.00000   0.00000   0.00000   2.09124
   A129       2.09363   0.00000   0.00000   0.00000   0.00000   2.09363
   A130       2.09889   0.00000   0.00000   0.00000   0.00000   2.09889
   A131       2.09066   0.00000   0.00000   0.00000   0.00000   2.09066
   A132       2.06956   0.00002  -0.00001   0.00001   0.00001   2.06956
   A133       1.97388   0.00000   0.00000   0.00003   0.00003   1.97390
   A134       2.02162  -0.00001  -0.00005   0.00006   0.00002   2.02163
   A135       2.25026   0.00000   0.00004  -0.00003   0.00001   2.25027
   A136       1.90654   0.00000  -0.00007   0.00003  -0.00004   1.90650
   A137       2.12529  -0.00001   0.00003  -0.00001   0.00003   2.12532
   A138       2.01978   0.00000   0.00009  -0.00001   0.00008   2.01987
   A139       1.92604  -0.00001  -0.00004   0.00003   0.00000   1.92604
   A140       1.75699   0.00001  -0.00002  -0.00001  -0.00003   1.75696
   A141       1.88950   0.00000  -0.00001  -0.00003  -0.00004   1.88946
   A142       1.98254   0.00000   0.00000  -0.00002  -0.00001   1.98252
   A143       1.96696   0.00001   0.00004   0.00000   0.00004   1.96700
   A144       1.92878   0.00000   0.00002   0.00002   0.00004   1.92882
   A145       2.27427   0.00000  -0.00006   0.00000  -0.00006   2.27421
   A146       2.09412   0.00000   0.00005   0.00001   0.00006   2.09418
   A147       1.91463   0.00000   0.00001  -0.00001   0.00000   1.91463
   A148       2.01217   0.00001  -0.00001   0.00002   0.00001   2.01218
   A149       2.21913   0.00000  -0.00001  -0.00001  -0.00001   2.21912
   A150       2.05185  -0.00001   0.00001  -0.00001   0.00000   2.05185
   A151       1.94614   0.00000   0.00000  -0.00001  -0.00001   1.94613
   A152       1.98187   0.00000  -0.00001   0.00001   0.00001   1.98187
   A153       2.18167   0.00000  -0.00001   0.00000  -0.00001   2.18166
   A154       2.11894   0.00000   0.00002  -0.00001   0.00001   2.11895
   A155       1.56966  -0.00001   0.00000  -0.00001  -0.00001   1.56966
   A156       1.96623   0.00001  -0.00002   0.00000  -0.00002   1.96621
   A157       1.92531  -0.00001   0.00000   0.00000  -0.00001   1.92531
   A158       1.85678   0.00000  -0.00001   0.00001   0.00000   1.85678
   A159       1.93385   0.00001   0.00010   0.00001   0.00011   1.93397
   A160       1.89065  -0.00001  -0.00003  -0.00001  -0.00004   1.89061
   A161       1.88743   0.00000  -0.00005   0.00000  -0.00005   1.88738
   A162       1.95507   0.00000  -0.00004  -0.00002  -0.00006   1.95501
   A163       1.96988   0.00002   0.00011   0.00001   0.00012   1.97000
   A164       1.94271   0.00001   0.00007   0.00002   0.00008   1.94280
   A165       1.85531  -0.00001  -0.00005   0.00000  -0.00005   1.85526
   A166       1.86650   0.00000  -0.00001   0.00001   0.00001   1.86651
   A167       1.86806  -0.00002  -0.00010  -0.00002  -0.00012   1.86795
   A168       1.93059   0.00000  -0.00001   0.00000  -0.00002   1.93057
   A169       1.96241   0.00000   0.00004  -0.00002   0.00002   1.96243
   A170       1.96147   0.00000   0.00000   0.00002   0.00002   1.96149
   A171       1.85706   0.00000   0.00000   0.00001   0.00001   1.85707
   A172       1.86339   0.00000  -0.00003  -0.00001  -0.00004   1.86335
   A173       1.88313   0.00000   0.00000   0.00000   0.00000   1.88313
   A174       1.91623   0.00000   0.00000   0.00000   0.00000   1.91622
   A175       2.23735   0.00000   0.00000   0.00002   0.00002   2.23737
   A176       2.12958   0.00000   0.00000  -0.00002  -0.00002   2.12956
   A177       1.57966   0.00000   0.00000   0.00000   0.00000   1.57966
    D1        1.08740   0.00000   0.00002   0.00006   0.00007   1.08748
    D2       -3.04356   0.00000   0.00000   0.00007   0.00007  -3.04349
    D3       -0.99195   0.00000   0.00002   0.00006   0.00007  -0.99187
    D4       -3.10996   0.00000   0.00002   0.00005   0.00008  -3.10988
    D5       -0.95774   0.00000   0.00001   0.00006   0.00007  -0.95767
    D6        1.09388   0.00000   0.00002   0.00005   0.00007   1.09395
    D7       -1.00489   0.00000   0.00002   0.00006   0.00007  -1.00481
    D8        1.14733   0.00000   0.00000   0.00007   0.00007   1.14740
    D9       -3.08424   0.00000   0.00002   0.00006   0.00007  -3.08417
   D10        1.00074   0.00000   0.00015   0.00005   0.00020   1.00094
   D11        3.10640   0.00000   0.00014   0.00006   0.00020   3.10659
   D12       -1.09047   0.00000   0.00014   0.00005   0.00019  -1.09027
   D13       -1.15022   0.00000   0.00015   0.00004   0.00019  -1.15003
   D14        0.95543   0.00000   0.00014   0.00005   0.00019   0.95562
   D15        3.04175   0.00000   0.00014   0.00004   0.00019   3.04194
   D16        3.07979   0.00000   0.00015   0.00005   0.00020   3.07999
   D17       -1.09774   0.00000   0.00014   0.00006   0.00020  -1.09754
   D18        0.98858   0.00000   0.00015   0.00005   0.00020   0.98878
   D19        2.04301   0.00000   0.00006  -0.00006   0.00000   2.04301
   D20       -1.09917   0.00000  -0.00003   0.00023   0.00020  -1.09897
   D21       -2.07405   0.00000   0.00006  -0.00005   0.00001  -2.07405
   D22        1.06695   0.00000  -0.00003   0.00023   0.00021   1.06716
   D23       -0.01460   0.00000   0.00005  -0.00006   0.00000  -0.01460
   D24        3.12641   0.00000  -0.00003   0.00023   0.00020   3.12661
   D25       -3.13743   0.00000  -0.00004   0.00009   0.00005  -3.13738
   D26        0.00470   0.00000   0.00004  -0.00017  -0.00014   0.00457
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   D32       -2.20505   0.00000   0.00049   0.00013   0.00062  -2.20443
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   D49        0.90582   0.00000   0.00141   0.00126   0.00268   0.90850
   D50        2.52668   0.00001   0.00165   0.00135   0.00300   2.52969
   D51        0.45866   0.00001   0.00162   0.00135   0.00297   0.46163
   D52       -1.65318   0.00001   0.00168   0.00137   0.00306  -1.65013
   D53       -2.77654   0.00000   0.00024   0.00007   0.00032  -2.77622
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   D65       -1.08070  -0.00001  -0.00033  -0.00004  -0.00037  -1.08107
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   D70       -1.54380  -0.00001   0.00005  -0.00003   0.00002  -1.54378
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   D72        0.56531  -0.00001   0.00002  -0.00004  -0.00002   0.56529
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   D74       -2.87593   0.00000   0.00006  -0.00004   0.00002  -2.87592
   D75       -0.83286   0.00000  -0.00001  -0.00004  -0.00004  -0.83290
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   D78       -2.96179   0.00000  -0.00003  -0.00002  -0.00006  -2.96185
   D79       -3.00700   0.00000  -0.00003  -0.00003  -0.00006  -3.00706
   D80       -0.83594   0.00001   0.00009  -0.00003   0.00006  -0.83587
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   D82        3.14084   0.00002  -0.00001  -0.00001  -0.00002   3.14083
   D83       -0.03755   0.00001   0.00027   0.00015   0.00042  -0.03713
   D84        0.02471   0.00001  -0.00016   0.00004  -0.00012   0.02460
   D85        3.12951   0.00000   0.00012   0.00020   0.00032   3.12983
   D86        2.39434   0.00000   0.00003  -0.00002   0.00002   2.39435
   D87       -1.71864   0.00000  -0.00001   0.00002   0.00001  -1.71862
   D88        0.34452   0.00000   0.00001   0.00001   0.00002   0.34454
   D89       -0.71223   0.00000  -0.00023  -0.00017  -0.00040  -0.71263
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   D91       -2.76204   0.00000  -0.00025  -0.00014  -0.00039  -2.76243
   D92        1.03415   0.00001   0.00011   0.00013   0.00024   1.03438
   D93       -1.11512   0.00001   0.00011   0.00012   0.00022  -1.11490
   D94       -3.09057   0.00001   0.00011   0.00013   0.00024  -3.09033
   D95       -1.11342  -0.00001   0.00017   0.00006   0.00023  -1.11319
   D96        3.02050  -0.00001   0.00017   0.00005   0.00022   3.02071
   D97        1.04505  -0.00001   0.00017   0.00006   0.00023   1.04528
   D98        3.07981   0.00000   0.00011   0.00009   0.00020   3.08002
   D99        0.93054   0.00000   0.00011   0.00008   0.00019   0.93074
   D100      -1.04490   0.00000   0.00011   0.00009   0.00020  -1.04470
   D101       1.12473  -0.00001   0.00012  -0.00006   0.00006   1.12479
   D102      -1.00240  -0.00001   0.00013  -0.00008   0.00006  -1.00235
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   D104      -3.01168   0.00000   0.00008  -0.00001   0.00007  -3.01162
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   D106      -0.86787   0.00000   0.00013   0.00001   0.00014  -0.86773
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   D108      -3.05497   0.00000   0.00014  -0.00006   0.00008  -3.05489
   D109       1.21597   0.00000   0.00017  -0.00002   0.00015   1.21613
   D110      -1.63865   0.00000   0.00027   0.00005   0.00031  -1.63834
   D111       1.51119   0.00000   0.00025   0.00006   0.00031   1.51150
   D112       0.49815   0.00000   0.00028   0.00006   0.00034   0.49849
   D113      -2.63520   0.00000   0.00027   0.00007   0.00034  -2.63486
   D114       2.49859   0.00000   0.00029   0.00005   0.00034   2.49893
   D115      -0.63475   0.00000   0.00028   0.00006   0.00034  -0.63441
   D116       3.13976   0.00000  -0.00001   0.00000  -0.00001   3.13976
   D117      -0.01844   0.00000  -0.00003  -0.00001  -0.00003  -0.01847
   D118      -0.00999   0.00000   0.00001  -0.00002  -0.00001  -0.01000
   D119       3.11499   0.00000  -0.00001  -0.00002  -0.00004   3.11496
   D120      -3.13918   0.00000   0.00000  -0.00001  -0.00001  -3.13918
   D121       0.00998   0.00000  -0.00001  -0.00001  -0.00002   0.00996
   D122       0.01062   0.00000  -0.00001   0.00001   0.00000   0.01062
   D123      -3.12341   0.00000  -0.00002   0.00001  -0.00001  -3.12342
   D124       0.00166   0.00000   0.00000   0.00001   0.00001   0.00168
   D125       3.13798   0.00000   0.00000   0.00001   0.00001   3.13799
   D126      -3.12340   0.00000   0.00002   0.00002   0.00004  -3.12336
   D127       0.01292   0.00000   0.00002   0.00002   0.00004   0.01296
   D128       0.00608   0.00000   0.00000   0.00000  -0.00001   0.00607
   D129       3.14131   0.00000   0.00000  -0.00001  -0.00001   3.14130
   D130      -3.13023   0.00000   0.00000   0.00000   0.00000  -3.13023
   D131       0.00500   0.00000   0.00000   0.00000  -0.00001   0.00500
   D132      -0.00545   0.00000   0.00000  -0.00001  -0.00001  -0.00545
   D133       3.13312   0.00000   0.00000  -0.00001  -0.00001   3.13311
   D134      -3.14068   0.00000  -0.00001   0.00000  -0.00001  -3.14068
   D135      -0.00212   0.00000  -0.00001   0.00000  -0.00001  -0.00212
   D136      -0.00294   0.00000   0.00001   0.00000   0.00001  -0.00292
   D137       3.13113   0.00000   0.00002   0.00000   0.00002   3.13115
   D138      -3.14150   0.00000   0.00001   0.00000   0.00001  -3.14149
   D139      -0.00744   0.00000   0.00002   0.00000   0.00002  -0.00741
   D140      -1.83827  -0.00001   0.00000  -0.00015  -0.00015  -1.83843
   D141       2.45689  -0.00001  -0.00008  -0.00011  -0.00019   2.45671
   D142       0.24705  -0.00001  -0.00013  -0.00011  -0.00025   0.24680
   D143       0.30499   0.00000  -0.00005  -0.00012  -0.00016   0.30483
   D144      -1.68303   0.00000  -0.00012  -0.00007  -0.00020  -1.68323
   D145       2.39031   0.00000  -0.00018  -0.00008  -0.00026   2.39005
   D146       2.31804   0.00000  -0.00006  -0.00016  -0.00022   2.31782
   D147       0.33002   0.00000  -0.00013  -0.00012  -0.00025   0.32977
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   D149       1.18372   0.00000  -0.00046   0.00012  -0.00034   1.18338
   D150      -2.96204   0.00001  -0.00045   0.00012  -0.00032  -2.96236
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   D167       0.88904   0.00000   0.00043   0.00039   0.00082   0.88986
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   D177      -1.45665   0.00000   0.00040   0.00028   0.00068  -1.45597
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   D181       0.67152   0.00000   0.00037   0.00031   0.00067   0.67219
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   D247       3.07014   0.00000  -0.00032  -0.00023  -0.00056   3.06959
   D248       0.93745   0.00000  -0.00037  -0.00025  -0.00062   0.93683
   D249       3.01088   0.00000  -0.00036  -0.00025  -0.00060   3.01027
   D250      -1.14338   0.00000  -0.00033  -0.00025  -0.00057  -1.14395
   D251       0.00112   0.00000   0.00006  -0.00019  -0.00012   0.00100
   D252       3.13410   0.00000   0.00007   0.00002   0.00009   3.13418
         Item               Value     Threshold  Converged?
 Maximum Force            0.000035     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.006935     0.001800     NO 
 RMS     Displacement     0.001323     0.001200     NO 
 Predicted change in Energy=-7.641775D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.773241   -2.051988    0.949319
      2          6           0       -9.316583   -1.006327   -0.072698
      3          6           0      -10.086620    0.309290    0.076223
      4          6           0       -7.844626   -0.767134    0.051178
      5          7           0       -6.934504   -1.002613   -0.862853
      6          6           0       -5.626807   -0.668199   -0.422345
      7          6           0       -4.490609   -0.905507   -1.377164
      8          7           0       -3.892323    0.347315   -1.904472
      9          6           0       -4.767876    1.076571   -2.863681
     10          6           0       -3.072034    1.170380   -1.090763
     11          8           0       -2.879277    2.353873   -1.349289
     12          7           0       -2.426287    0.560996    0.027120
     13          6           0       -1.294358    1.316231    0.611471
     14          6           0       -0.009287    1.072357   -0.207660
     15          8           0        0.227605    0.023641   -0.797540
     16          7           0        0.904739    2.120174   -0.216267
     17          6           0        2.189214    2.025412   -0.963784
     18          6           0        2.465931    3.349289   -1.709919
     19          6           0        2.557905    4.556931   -0.818859
     20          6           0        1.421086    5.348802   -0.590374
     21          6           0        1.502475    6.470433    0.238828
     22          6           0        2.715796    6.812269    0.844183
     23          6           0        3.851791    6.030758    0.610970
     24          6           0        3.776623    4.908256   -0.217987
     25          6           0        3.335071    1.642962   -0.003308
     26          6           0        3.127498    0.243449    0.585795
     27          8           0        2.701619    0.363088    1.960284
     28          6           0        4.416356   -0.619655    0.726388
     29          6           0        5.164273   -0.748935   -0.610531
     30          6           0        6.498692   -1.420577   -0.439251
     31          6           0        6.626009   -2.796149   -0.686504
     32          6           0        7.866013   -3.420994   -0.536380
     33          6           0        8.984333   -2.680138   -0.138979
     34          6           0        8.857977   -1.310227    0.110671
     35          6           0        7.619788   -0.678769   -0.037628
     36          7           0        4.028960   -1.955597    1.279465
     37          6           0        3.215294   -2.787418    0.507857
     38          8           0        3.163715   -2.897891   -0.707476
     39          8           0        2.449174   -3.585201    1.347861
     40          6           0        1.501029   -4.480687    0.683302
     41          6           0        0.453829   -3.700574   -0.004501
     42          6           0       -0.899079   -3.662507    0.198883
     43          7           0       -1.611143   -2.788562   -0.648021
     44          6           0       -0.805249   -2.166541   -1.490015
     45         16           0        0.889072   -2.591037   -1.284613
     46          6           0       -1.111601    0.889881    2.097654
     47          6           0       -0.560088   -0.527895    2.239626
     48          6           0       -0.221877    1.896088    2.833906
     49          6           0       -5.550167   -0.166833    0.845664
     50         16           0       -7.136689   -0.095817    1.546514
     51          1           0      -10.829109   -2.307512    0.801243
     52          1           0       -9.195404   -2.980513    0.857731
     53          1           0       -9.667424   -1.699724    1.982164
     54          1           0       -9.511224   -1.414519   -1.105892
     55          1           0       -9.994099    0.735337    1.082304
     56          1           0       -9.730726    1.065394   -0.634835
     57          1           0      -11.156045    0.159087   -0.113521
     58          1           0       -3.701588   -1.533243   -0.888613
     59          1           0       -4.843084   -1.509450   -2.252870
     60          1           0       -4.850665    0.480345   -3.787126
     61          1           0       -4.321818    2.056162   -3.121796
     62          1           0       -5.779950    1.253497   -2.464124
     63          1           0       -2.284731   -0.459537    0.012481
     64          1           0       -1.566364    2.412681    0.572299
     65          1           0        0.716395    2.999524    0.260664
     66          1           0        2.076692    1.206861   -1.734798
     67          1           0        1.668372    3.500470   -2.471927
     68          1           0        3.398665    3.238653   -2.301924
     69          1           0        0.474904    5.100476   -1.071210
     70          1           0        0.617493    7.082722    0.409402
     71          1           0        2.777224    7.686270    1.489381
     72          1           0        4.800266    6.298969    1.074729
     73          1           0        4.668245    4.312495   -0.400833
     74          1           0        3.419912    2.379178    0.823530
     75          1           0        4.300913    1.704933   -0.544634
     76          1           0        2.339682   -0.318127    0.019226
     77          1           0        1.789749    0.756882    2.007713
     78          1           0        5.089019   -0.153448    1.498482
     79          1           0        4.539146   -1.315179   -1.344517
     80          1           0        5.295231    0.258914   -1.059685
     81          1           0        5.750607   -3.373667   -0.988837
     82          1           0        7.961242   -4.488430   -0.728443
     83          1           0        9.948885   -3.168944   -0.023624
     84          1           0        9.726320   -0.732514    0.421877
     85          1           0        7.529762    0.386091    0.159789
     86          1           0        3.816896   -1.929696    2.287802
     87          1           0        1.124785   -5.061137    1.550134
     88          1           0        2.068701   -5.137279   -0.007220
     89          1           0       -1.468271   -4.231291    0.925969
     90          1           0       -1.119331   -1.430009   -2.224173
     91          1           0       -2.133143    0.919754    2.563795
     92          1           0       -1.191076   -1.268148    1.729307
     93          1           0        0.448953   -0.638380    1.816559
     94          1           0       -0.501645   -0.829190    3.292059
     95          1           0       -0.237681    1.707061    3.916004
     96          1           0        0.833509    1.831625    2.522018
     97          1           0       -0.553154    2.930116    2.688955
     98          1           0       -4.673249    0.160206    1.381529
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0813274      0.0289534      0.0233425
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.7790603054 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258573592043     A.U. after   12 cycles
             Convg  =    0.6406D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000457   -0.000001073   -0.000000730
      2        6           0.000002683   -0.000003893    0.000000266
      3        6           0.000000892    0.000000238    0.000000103
      4        6          -0.000008258    0.000020739   -0.000004370
      5        7           0.000005900   -0.000006169    0.000000223
      6        6          -0.000002745   -0.000004497    0.000004636
      7        6           0.000004576   -0.000010836   -0.000010520
      8        7          -0.000009776    0.000033407   -0.000003938
      9        6           0.000011612   -0.000004924    0.000002167
     10        6          -0.000009866   -0.000028047    0.000035823
     11        8           0.000003849   -0.000002218   -0.000007283
     12        7           0.000001761    0.000026573   -0.000024331
     13        6           0.000009829   -0.000004051   -0.000006356
     14        6          -0.000014093    0.000021148    0.000011792
     15        8           0.000000288   -0.000013846   -0.000001759
     16        7          -0.000002402    0.000014078   -0.000010835
     17        6           0.000000482   -0.000008067    0.000022267
     18        6           0.000003012   -0.000011314   -0.000006399
     19        6           0.000001649    0.000006788   -0.000001091
     20        6          -0.000003511    0.000002343   -0.000000066
     21        6          -0.000000928   -0.000004978    0.000000253
     22        6           0.000004927    0.000001096   -0.000001009
     23        6          -0.000004075    0.000002690    0.000000715
     24        6          -0.000000103   -0.000005649    0.000001058
     25        6           0.000017197    0.000008468    0.000008859
     26        6           0.000020561   -0.000000098   -0.000019117
     27        8           0.000011420   -0.000004698   -0.000009851
     28        6          -0.000025966   -0.000000057    0.000012515
     29        6           0.000007727   -0.000005885   -0.000003574
     30        6           0.000000083    0.000004726    0.000000334
     31        6          -0.000003441   -0.000006840   -0.000001532
     32        6           0.000002091    0.000001301   -0.000000015
     33        6          -0.000000455   -0.000002229   -0.000001056
     34        6          -0.000001556    0.000000637    0.000001110
     35        6           0.000001938   -0.000000058    0.000000870
     36        7           0.000006697   -0.000002044   -0.000005141
     37        6           0.000009856   -0.000000811    0.000006458
     38        8           0.000003789    0.000005193   -0.000001484
     39        8          -0.000006274    0.000015784    0.000011640
     40        6          -0.000004942   -0.000006344   -0.000026172
     41        6           0.000013077    0.000005812    0.000050384
     42        6          -0.000024431   -0.000006075   -0.000017289
     43        7           0.000005192    0.000003354   -0.000006930
     44        6           0.000006221    0.000012567    0.000005283
     45       16          -0.000013772   -0.000012835   -0.000030135
     46        6           0.000002512    0.000000029    0.000006965
     47        6           0.000003903    0.000004219    0.000004583
     48        6           0.000009216   -0.000008346    0.000000338
     49        6          -0.000010930    0.000004427    0.000001477
     50       16           0.000007553   -0.000011924    0.000002684
     51        1          -0.000000280   -0.000000067    0.000000279
     52        1           0.000000378    0.000000998    0.000000340
     53        1           0.000000620   -0.000000228    0.000000985
     54        1          -0.000000184   -0.000000497   -0.000000058
     55        1           0.000000271    0.000000040    0.000000109
     56        1           0.000000342    0.000000548   -0.000000039
     57        1           0.000000050   -0.000000067   -0.000000308
     58        1          -0.000006870   -0.000000759    0.000005170
     59        1           0.000000980    0.000004493   -0.000001351
     60        1           0.000000852    0.000001513    0.000000702
     61        1          -0.000002926    0.000002039   -0.000001580
     62        1          -0.000002743   -0.000003098   -0.000001840
     63        1           0.000007343   -0.000011996   -0.000008581
     64        1          -0.000001907   -0.000007972   -0.000000802
     65        1           0.000002677   -0.000002255   -0.000002215
     66        1           0.000000755   -0.000001093   -0.000001093
     67        1           0.000000226    0.000000678    0.000001084
     68        1          -0.000000715    0.000001021   -0.000000607
     69        1           0.000000862   -0.000000614   -0.000000925
     70        1           0.000000482    0.000000640    0.000000530
     71        1          -0.000000554   -0.000000031    0.000000042
     72        1           0.000000449   -0.000000214   -0.000000241
     73        1          -0.000000246    0.000000302   -0.000000328
     74        1          -0.000007207   -0.000000778   -0.000002057
     75        1          -0.000005609   -0.000000691   -0.000005156
     76        1          -0.000009461   -0.000000108    0.000000518
     77        1          -0.000014707   -0.000002284    0.000004001
     78        1           0.000001167    0.000001162   -0.000001180
     79        1          -0.000003130    0.000002226    0.000000755
     80        1          -0.000000100   -0.000000133   -0.000002430
     81        1           0.000003943    0.000003163   -0.000000706
     82        1          -0.000000515    0.000000079    0.000000258
     83        1           0.000000458    0.000000751    0.000000558
     84        1           0.000000668   -0.000000035   -0.000000522
     85        1          -0.000000633   -0.000000416   -0.000000743
     86        1          -0.000000208    0.000000726   -0.000000893
     87        1           0.000009628    0.000003720    0.000017169
     88        1          -0.000001634   -0.000002948   -0.000001541
     89        1           0.000004842   -0.000002536    0.000006302
     90        1           0.000001245   -0.000007593    0.000000868
     91        1          -0.000004310   -0.000001403   -0.000000378
     92        1          -0.000001521    0.000000607   -0.000000868
     93        1           0.000000554    0.000002089    0.000007800
     94        1          -0.000004071   -0.000002348    0.000000521
     95        1           0.000000744    0.000001648   -0.000000154
     96        1          -0.000006115    0.000001410   -0.000003310
     97        1          -0.000001062    0.000001209    0.000000949
     98        1           0.000004656    0.000001287   -0.000000851
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000050384 RMS     0.000008202

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000039536 RMS     0.000005125
 Search for a local minimum.
 Step number  87 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   70   73   72   74   75
                                                     76   77   78   79   80
                                                     81   82   83   84   85
                                                     86   87
 DE= -1.14D-07 DEPred=-7.64D-08 R= 1.49D+00
 Trust test= 1.49D+00 RLast= 9.33D-03 DXMaxT set to 3.35D-01
     Eigenvalues ---    0.00066   0.00087   0.00115   0.00201   0.00224
     Eigenvalues ---    0.00245   0.00278   0.00345   0.00413   0.00530
     Eigenvalues ---    0.00582   0.00665   0.00709   0.00766   0.00846
     Eigenvalues ---    0.00859   0.00980   0.01057   0.01131   0.01240
     Eigenvalues ---    0.01320   0.01394   0.01425   0.01466   0.01503
     Eigenvalues ---    0.01528   0.01561   0.01701   0.01719   0.01754
     Eigenvalues ---    0.01930   0.02050   0.02134   0.02178   0.02194
     Eigenvalues ---    0.02204   0.02222   0.02257   0.02268   0.02291
     Eigenvalues ---    0.02328   0.02340   0.02371   0.02392   0.02406
     Eigenvalues ---    0.02409   0.02417   0.02448   0.02482   0.02485
     Eigenvalues ---    0.02527   0.02528   0.02602   0.02689   0.02709
     Eigenvalues ---    0.02918   0.02948   0.03361   0.03946   0.04011
     Eigenvalues ---    0.04144   0.04160   0.04183   0.04456   0.04468
     Eigenvalues ---    0.04608   0.04726   0.04939   0.04967   0.05085
     Eigenvalues ---    0.05183   0.05193   0.05306   0.05376   0.05428
     Eigenvalues ---    0.05489   0.05506   0.05534   0.05571   0.05643
     Eigenvalues ---    0.05724   0.05756   0.05829   0.05851   0.05901
     Eigenvalues ---    0.05984   0.06026   0.06137   0.06237   0.06401
     Eigenvalues ---    0.06507   0.06753   0.06894   0.07089   0.07185
     Eigenvalues ---    0.07535   0.08256   0.08522   0.08630   0.08771
     Eigenvalues ---    0.09333   0.09624   0.09903   0.10343   0.11523
     Eigenvalues ---    0.12088   0.12909   0.13124   0.13308   0.13436
     Eigenvalues ---    0.13828   0.14096   0.14583   0.15498   0.15611
     Eigenvalues ---    0.15730   0.15859   0.15940   0.15959   0.15971
     Eigenvalues ---    0.15985   0.15986   0.15997   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16002   0.16004   0.16008   0.16017   0.16019
     Eigenvalues ---    0.16052   0.16075   0.16088   0.16105   0.16172
     Eigenvalues ---    0.16202   0.16475   0.16847   0.16894   0.17438
     Eigenvalues ---    0.17940   0.17970   0.18297   0.18891   0.19163
     Eigenvalues ---    0.19757   0.20506   0.20623   0.21063   0.21825
     Eigenvalues ---    0.21874   0.22000   0.22001   0.22004   0.22122
     Eigenvalues ---    0.22199   0.22423   0.22837   0.23116   0.23412
     Eigenvalues ---    0.23502   0.23603   0.23714   0.24070   0.24305
     Eigenvalues ---    0.24364   0.24637   0.24831   0.25018   0.25111
     Eigenvalues ---    0.25219   0.25361   0.25711   0.26410   0.27555
     Eigenvalues ---    0.28462   0.29424   0.29801   0.29931   0.30046
     Eigenvalues ---    0.30141   0.30326   0.30518   0.30575   0.30683
     Eigenvalues ---    0.30797   0.31246   0.31371   0.31426   0.31450
     Eigenvalues ---    0.31494   0.31509   0.31665   0.31829   0.31952
     Eigenvalues ---    0.32054   0.32112   0.32360   0.32446   0.32521
     Eigenvalues ---    0.32622   0.32698   0.32776   0.32883   0.32970
     Eigenvalues ---    0.33027   0.33049   0.33072   0.33178   0.33213
     Eigenvalues ---    0.33254   0.33470   0.33540   0.33660   0.33676
     Eigenvalues ---    0.33771   0.33887   0.33981   0.34000   0.34044
     Eigenvalues ---    0.34179   0.34231   0.34294   0.34318   0.34337
     Eigenvalues ---    0.34488   0.34579   0.34686   0.34767   0.35383
     Eigenvalues ---    0.35818   0.36247   0.36314   0.36379   0.36629
     Eigenvalues ---    0.36737   0.36849   0.36966   0.37182   0.37567
     Eigenvalues ---    0.38288   0.38524   0.39303   0.40156   0.40892
     Eigenvalues ---    0.40959   0.41898   0.42491   0.42927   0.43182
     Eigenvalues ---    0.43376   0.44175   0.44332   0.45075   0.45501
     Eigenvalues ---    0.46325   0.47191   0.47591   0.48351   0.48565
     Eigenvalues ---    0.48620   0.48975   0.49170   0.49432   0.50336
     Eigenvalues ---    0.50993   0.51216   0.51366   0.52329   0.55769
     Eigenvalues ---    0.56661   0.58828   0.59883   0.62361   0.62886
     Eigenvalues ---    0.65204   0.68191   0.77559   0.78991   0.85598
     Eigenvalues ---    1.42439   1.91519   4.180421000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    87   86   85   84   83
 RFO step:  Lambda=-2.27314149D-08.
 DIIS coeffs:      1.51672     -0.28858     -0.48669      0.22225      0.03630
 Iteration  1 RMS(Cart)=  0.00094878 RMS(Int)=  0.00000035
 Iteration  2 RMS(Cart)=  0.00000051 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89472   0.00000   0.00000   0.00000   0.00000   2.89472
    R2        2.07188   0.00000   0.00000   0.00000   0.00000   2.07188
    R3        2.07392   0.00000   0.00000   0.00000   0.00000   2.07392
    R4        2.07186   0.00000   0.00000   0.00000   0.00000   2.07187
    R5        2.89442   0.00000   0.00000   0.00000   0.00000   2.89442
    R6        2.82779   0.00000   0.00000   0.00000   0.00000   2.82779
    R7        2.13129   0.00000   0.00000   0.00000   0.00000   2.13128
    R8        2.07205   0.00000   0.00000   0.00000   0.00000   2.07205
    R9        2.07350   0.00000   0.00000   0.00000   0.00000   2.07350
   R10        2.07202   0.00000   0.00000   0.00000   0.00000   2.07202
   R11        2.47779   0.00000   0.00000  -0.00001  -0.00001   2.47779
   R12        3.37403   0.00001  -0.00001   0.00002   0.00001   3.37404
   R13        2.68311   0.00000   0.00001   0.00001   0.00001   2.68312
   R14        2.84021   0.00000   0.00001  -0.00001   0.00000   2.84022
   R15        2.58076   0.00000   0.00000   0.00000   0.00000   2.58076
   R16        2.80646  -0.00001   0.00001  -0.00001   0.00000   2.80646
   R17        2.11724   0.00001   0.00002   0.00000   0.00003   2.11727
   R18        2.11771   0.00000   0.00000   0.00001   0.00001   2.11772
   R19        2.81467   0.00000   0.00000   0.00001   0.00001   2.81468
   R20        2.68077   0.00002   0.00006   0.00004   0.00010   2.68087
   R21        2.08307   0.00000   0.00000   0.00000  -0.00001   2.08306
   R22        2.09171   0.00000  -0.00001   0.00000  -0.00001   2.09170
   R23        2.08320   0.00000   0.00000  -0.00001  -0.00001   2.08319
   R24        2.31801   0.00001   0.00000   0.00000   0.00000   2.31802
   R25        2.69775  -0.00003  -0.00006  -0.00004  -0.00009   2.69765
   R26        2.79852   0.00000  -0.00003   0.00000  -0.00002   2.79850
   R27        1.94719  -0.00002  -0.00006  -0.00001  -0.00007   1.94712
   R28        2.91646   0.00001   0.00000   0.00000   0.00000   2.91647
   R29        2.94210   0.00002   0.00003   0.00001   0.00004   2.94214
   R30        2.13608   0.00000   0.00004   0.00000   0.00004   2.13612
   R31        2.31742  -0.00001  -0.00001   0.00000  -0.00001   2.31741
   R32        2.62763   0.00000   0.00003  -0.00002   0.00001   2.62764
   R33        2.81413  -0.00001   0.00002  -0.00003  -0.00001   2.81412
   R34        1.92362   0.00000  -0.00001   0.00000   0.00000   1.92362
   R35        2.91896   0.00001   0.00003  -0.00003   0.00001   2.91897
   R36        2.91641  -0.00001   0.00000  -0.00003  -0.00003   2.91638
   R37        2.13560   0.00000  -0.00001   0.00000  -0.00001   2.13559
   R38        2.84141   0.00000   0.00000  -0.00002  -0.00002   2.84139
   R39        2.10398   0.00000   0.00000   0.00000   0.00000   2.10398
   R40        2.09811   0.00000   0.00001   0.00000   0.00001   2.09812
   R41        2.65345   0.00000   0.00001  -0.00001   0.00000   2.65345
   R42        2.65219   0.00000   0.00000   0.00000   0.00000   2.65219
   R43        2.64038   0.00000   0.00000   0.00000   0.00000   2.64038
   R44        2.05983   0.00000   0.00000   0.00000   0.00000   2.05982
   R45        2.64255   0.00000   0.00000   0.00000   0.00000   2.64255
   R46        2.05901   0.00000   0.00000   0.00000   0.00000   2.05901
   R47        2.64267   0.00000   0.00000   0.00000   0.00000   2.64267
   R48        2.05618   0.00000   0.00000   0.00000   0.00000   2.05618
   R49        2.64077   0.00000   0.00000   0.00000   0.00000   2.64077
   R50        2.05851   0.00000   0.00000   0.00000   0.00000   2.05851
   R51        2.05568   0.00000   0.00000   0.00000   0.00000   2.05568
   R52        2.89613  -0.00001  -0.00002   0.00000  -0.00003   2.89611
   R53        2.09826   0.00000   0.00002   0.00000   0.00002   2.09827
   R54        2.09557   0.00001   0.00000   0.00001   0.00001   2.09558
   R55        2.72861   0.00000   0.00002   0.00001   0.00003   2.72864
   R56        2.94329   0.00001  -0.00001   0.00004   0.00003   2.94332
   R57        2.11871   0.00000   0.00000  -0.00001  -0.00001   2.11869
   R58        1.87914  -0.00002   0.00002  -0.00001   0.00001   1.87915
   R59        2.90517   0.00000   0.00000   0.00001   0.00001   2.90518
   R60        2.82873   0.00001  -0.00001   0.00001  -0.00001   2.82872
   R61        2.12622   0.00000  -0.00002   0.00000  -0.00002   2.12620
   R62        2.84158   0.00000  -0.00001   0.00000  -0.00001   2.84158
   R63        2.11291   0.00000  -0.00001   0.00000   0.00000   2.11290
   R64        2.09976   0.00000   0.00000   0.00000   0.00000   2.09977
   R65        2.65205   0.00000  -0.00001   0.00000  -0.00001   2.65204
   R66        2.65130   0.00000   0.00001   0.00000   0.00001   2.65131
   R67        2.63925   0.00000   0.00000   0.00000   0.00000   2.63925
   R68        2.06254   0.00000   0.00001   0.00001   0.00002   2.06256
   R69        2.64388   0.00000   0.00000   0.00000   0.00000   2.64388
   R70        2.05744   0.00000   0.00000   0.00000   0.00000   2.05744
   R71        2.64220   0.00000   0.00000   0.00000   0.00000   2.64221
   R72        2.05503   0.00000   0.00000   0.00000   0.00000   2.05503
   R73        2.64146   0.00000   0.00000   0.00000   0.00000   2.64146
   R74        2.05678   0.00000   0.00000   0.00000   0.00000   2.05678
   R75        2.05364   0.00000   0.00000   0.00000   0.00000   2.05364
   R76        2.63843   0.00001  -0.00001  -0.00002  -0.00003   2.63839
   R77        1.94778   0.00000  -0.00004   0.00000  -0.00004   1.94773
   R78        2.30817   0.00000   0.00002   0.00000   0.00002   2.30820
   R79        2.62461   0.00000  -0.00004   0.00002  -0.00002   2.62459
   R80        2.76605  -0.00001   0.00002   0.00000   0.00001   2.76607
   R81        2.78905  -0.00001  -0.00001   0.00000  -0.00002   2.78903
   R82        2.09570   0.00002   0.00005   0.00001   0.00006   2.09576
   R83        2.09596   0.00000  -0.00002   0.00000  -0.00002   2.09595
   R84        2.58635  -0.00002   0.00000  -0.00001  -0.00001   2.58634
   R85        3.30524   0.00003   0.00004   0.00003   0.00008   3.30532
   R86        2.66449   0.00001  -0.00001   0.00001   0.00000   2.66448
   R87        2.04942   0.00001   0.00001   0.00001   0.00002   2.04943
   R88        2.49653   0.00000   0.00000   0.00000   0.00000   2.49653
   R89        3.32351   0.00001   0.00002   0.00000   0.00002   3.32353
   R90        2.05287   0.00000  -0.00001   0.00000  -0.00001   2.05286
   R91        2.88727   0.00001  -0.00003   0.00002  -0.00002   2.88726
   R92        2.89451   0.00000  -0.00001   0.00001   0.00001   2.89452
   R93        2.12267   0.00000   0.00000  -0.00001  -0.00001   2.12266
   R94        2.07573   0.00000  -0.00002   0.00001  -0.00001   2.07572
   R95        2.07815   0.00000   0.00001   0.00000   0.00000   2.07815
   R96        2.07165   0.00000   0.00000   0.00001   0.00001   2.07166
   R97        2.07605   0.00000   0.00000   0.00000   0.00000   2.07605
   R98        2.08322   0.00001   0.00000   0.00001   0.00001   2.08323
   R99        2.07006   0.00000   0.00000   0.00000   0.00000   2.07006
   R100       3.28034   0.00001   0.00002   0.00001   0.00003   3.28037
   R101       2.03801   0.00000  -0.00001   0.00000  -0.00001   2.03800
    A1        1.93486   0.00000   0.00000   0.00000   0.00000   1.93486
    A2        1.94432   0.00000   0.00000   0.00001   0.00001   1.94433
    A3        1.96106   0.00000   0.00000   0.00000   0.00000   1.96106
    A4        1.87403   0.00000   0.00000   0.00000  -0.00001   1.87402
    A5        1.87031   0.00000   0.00000   0.00000  -0.00001   1.87031
    A6        1.87511   0.00000   0.00000   0.00000   0.00000   1.87511
    A7        1.95152   0.00000   0.00000   0.00000   0.00000   1.95152
    A8        1.92530   0.00000   0.00000   0.00000   0.00000   1.92531
    A9        1.88883   0.00000   0.00001   0.00000   0.00000   1.88883
   A10        1.92750   0.00000   0.00000   0.00000   0.00000   1.92750
   A11        1.88934   0.00000   0.00000   0.00000   0.00000   1.88934
   A12        1.87911   0.00000   0.00000   0.00000   0.00000   1.87910
   A13        1.96118   0.00000   0.00000   0.00000   0.00000   1.96118
   A14        1.94531   0.00000   0.00000   0.00000  -0.00001   1.94530
   A15        1.93463   0.00000   0.00000   0.00000   0.00000   1.93463
   A16        1.87495   0.00000   0.00000   0.00000   0.00000   1.87495
   A17        1.86953   0.00000   0.00000   0.00000   0.00000   1.86953
   A18        1.87403   0.00000   0.00000   0.00000   0.00000   1.87403
   A19        2.20976   0.00001  -0.00001   0.00002   0.00001   2.20977
   A20        2.11701   0.00000   0.00000  -0.00001  -0.00001   2.11700
   A21        1.95641   0.00000   0.00001  -0.00001   0.00000   1.95642
   A22        1.96137   0.00000   0.00000   0.00001   0.00001   1.96138
   A23        2.05101   0.00000  -0.00003   0.00000  -0.00003   2.05098
   A24        2.01110   0.00000   0.00000   0.00000   0.00000   2.01110
   A25        2.22105   0.00000   0.00003   0.00000   0.00004   2.22109
   A26        1.97895   0.00000   0.00009  -0.00001   0.00008   1.97903
   A27        1.92178   0.00000  -0.00001   0.00000  -0.00001   1.92177
   A28        1.92170   0.00000  -0.00004   0.00001  -0.00003   1.92168
   A29        1.92172   0.00000   0.00000  -0.00001  -0.00001   1.92171
   A30        1.87956   0.00000  -0.00003   0.00001  -0.00003   1.87954
   A31        1.83413   0.00000  -0.00002   0.00000  -0.00001   1.83411
   A32        1.98764   0.00001  -0.00004  -0.00001  -0.00004   1.98760
   A33        2.11616   0.00000  -0.00003  -0.00006  -0.00009   2.11607
   A34        2.01002   0.00000  -0.00011  -0.00005  -0.00016   2.00985
   A35        1.89529   0.00000   0.00003   0.00002   0.00005   1.89534
   A36        1.92473   0.00000  -0.00007  -0.00004  -0.00011   1.92462
   A37        1.96583   0.00000   0.00003   0.00001   0.00005   1.96588
   A38        1.88978   0.00000   0.00002   0.00001   0.00003   1.88981
   A39        1.89810   0.00000   0.00000  -0.00001  -0.00001   1.89809
   A40        1.88857   0.00000  -0.00001   0.00000   0.00000   1.88857
   A41        2.12911   0.00000  -0.00001  -0.00001  -0.00002   2.12910
   A42        2.05223   0.00000   0.00001  -0.00002  -0.00002   2.05222
   A43        2.10111   0.00001   0.00001   0.00003   0.00003   2.10114
   A44        2.02309   0.00001   0.00008   0.00004   0.00012   2.02322
   A45        2.06439   0.00000   0.00010   0.00002   0.00012   2.06451
   A46        1.98853   0.00000   0.00007   0.00001   0.00007   1.98860
   A47        1.92455  -0.00001   0.00000  -0.00002  -0.00002   1.92453
   A48        1.90364   0.00000   0.00002   0.00001   0.00004   1.90368
   A49        1.87242   0.00000   0.00004   0.00002   0.00006   1.87249
   A50        1.94511   0.00001  -0.00001  -0.00002  -0.00003   1.94508
   A51        1.91267   0.00000  -0.00002   0.00001  -0.00001   1.91266
   A52        1.90388  -0.00001  -0.00003   0.00000  -0.00004   1.90384
   A53        2.15469   0.00001   0.00005   0.00001   0.00006   2.15475
   A54        2.01701  -0.00001  -0.00004  -0.00002  -0.00005   2.01696
   A55        2.11118   0.00000   0.00000   0.00001   0.00000   2.11118
   A56        2.12016   0.00000   0.00001   0.00001   0.00003   2.12018
   A57        2.12521   0.00000   0.00000   0.00000   0.00001   2.12522
   A58        2.03728   0.00000  -0.00001  -0.00001  -0.00002   2.03726
   A59        1.92033   0.00000   0.00001  -0.00005  -0.00004   1.92029
   A60        1.92174   0.00002   0.00005   0.00000   0.00005   1.92179
   A61        1.87830  -0.00001  -0.00004   0.00003  -0.00002   1.87828
   A62        1.96060  -0.00001  -0.00001  -0.00001  -0.00002   1.96058
   A63        1.88501   0.00000  -0.00001   0.00002   0.00001   1.88502
   A64        1.89550   0.00000   0.00000   0.00001   0.00001   1.89551
   A65        1.99662   0.00000   0.00002  -0.00003  -0.00001   1.99660
   A66        1.89510   0.00000   0.00002  -0.00001   0.00001   1.89511
   A67        1.89933   0.00000  -0.00004   0.00001  -0.00003   1.89931
   A68        1.91809   0.00000   0.00000   0.00000   0.00000   1.91809
   A69        1.92264   0.00000   0.00001   0.00002   0.00003   1.92267
   A70        1.82388   0.00000  -0.00001   0.00001   0.00000   1.82388
   A71        2.09423   0.00000   0.00001   0.00000   0.00001   2.09423
   A72        2.10352   0.00000  -0.00001   0.00000  -0.00001   2.10352
   A73        2.08541   0.00000   0.00000   0.00000   0.00000   2.08541
   A74        2.09685   0.00000   0.00000   0.00000   0.00000   2.09685
   A75        2.09731   0.00000   0.00000   0.00000   0.00000   2.09731
   A76        2.08891   0.00000   0.00000   0.00000   0.00000   2.08890
   A77        2.09866   0.00000   0.00000   0.00000   0.00000   2.09866
   A78        2.09059   0.00000   0.00000   0.00000   0.00000   2.09059
   A79        2.09393   0.00000   0.00000   0.00000   0.00000   2.09393
   A80        2.08981   0.00000   0.00000   0.00000   0.00000   2.08981
   A81        2.09675   0.00000   0.00000   0.00000   0.00000   2.09675
   A82        2.09661   0.00000   0.00000   0.00000   0.00000   2.09661
   A83        2.09917   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09290   0.00000   0.00000   0.00000   0.00000   2.09290
   A85        2.09111   0.00000   0.00000   0.00000   0.00000   2.09111
   A86        2.09642   0.00000   0.00000   0.00000   0.00000   2.09642
   A87        2.09750   0.00000   0.00000   0.00000   0.00000   2.09750
   A88        2.08925   0.00000   0.00000   0.00000   0.00000   2.08924
   A89        1.94439   0.00000  -0.00002   0.00001  -0.00001   1.94438
   A90        1.93463   0.00001   0.00002   0.00000   0.00003   1.93466
   A91        1.90606  -0.00001   0.00001  -0.00001   0.00000   1.90606
   A92        1.90667   0.00000   0.00002  -0.00001   0.00001   1.90668
   A93        1.93546   0.00000   0.00002   0.00002   0.00004   1.93550
   A94        1.83372   0.00000  -0.00006  -0.00002  -0.00007   1.83365
   A95        1.90730  -0.00001  -0.00002  -0.00004  -0.00006   1.90724
   A96        2.01381   0.00001   0.00001   0.00001   0.00002   2.01383
   A97        1.93727   0.00000   0.00003   0.00000   0.00003   1.93729
   A98        1.77630   0.00000   0.00000   0.00001   0.00001   1.77631
   A99        1.89156   0.00001  -0.00002   0.00004   0.00002   1.89158
   A100       1.92785  -0.00001   0.00000  -0.00002  -0.00002   1.92783
   A101       1.92696   0.00001  -0.00002   0.00003   0.00000   1.92697
   A102       1.95054  -0.00001  -0.00004  -0.00001  -0.00005   1.95049
   A103       1.88995   0.00000  -0.00001   0.00001   0.00000   1.88995
   A104       1.90397   0.00000  -0.00001  -0.00001  -0.00002   1.90396
   A105       1.95214   0.00001   0.00000   0.00003   0.00003   1.95217
   A106       1.91851   0.00000   0.00000   0.00000   0.00001   1.91851
   A107       1.84520   0.00000   0.00006  -0.00002   0.00004   1.84524
   A108       1.95006   0.00000   0.00002   0.00001   0.00002   1.95008
   A109       1.91927   0.00000  -0.00003   0.00001  -0.00002   1.91924
   A110       1.90984   0.00000  -0.00002   0.00001  -0.00001   1.90983
   A111       1.92274   0.00000   0.00001  -0.00002  -0.00001   1.92273
   A112       1.92473   0.00000   0.00000  -0.00002  -0.00001   1.92471
   A113       1.83370   0.00000   0.00002   0.00002   0.00003   1.83374
   A114       2.09236   0.00000   0.00001  -0.00001   0.00000   2.09237
   A115       2.10082   0.00000  -0.00001   0.00001   0.00000   2.10082
   A116       2.08999   0.00000   0.00000   0.00000   0.00000   2.08999
   A117       2.09454   0.00000   0.00000   0.00000   0.00000   2.09455
   A118       2.08826   0.00000   0.00000  -0.00001  -0.00001   2.08825
   A119       2.10036   0.00000   0.00000   0.00001   0.00001   2.10036
   A120       2.09822   0.00000   0.00000   0.00000   0.00000   2.09822
   A121       2.09132   0.00000   0.00000   0.00000   0.00000   2.09131
   A122       2.09365   0.00000   0.00000   0.00000   0.00000   2.09365
   A123       2.09128   0.00000   0.00000   0.00000   0.00000   2.09128
   A124       2.09565   0.00000   0.00000   0.00000   0.00000   2.09565
   A125       2.09626   0.00000   0.00000   0.00000   0.00000   2.09626
   A126       2.09870   0.00000   0.00000   0.00000   0.00000   2.09870
   A127       2.09325   0.00000   0.00000   0.00000   0.00000   2.09325
   A128       2.09124   0.00000   0.00000   0.00000   0.00000   2.09124
   A129       2.09363   0.00000   0.00000   0.00000   0.00000   2.09363
   A130       2.09889   0.00000   0.00000   0.00000   0.00000   2.09889
   A131       2.09066   0.00000   0.00000   0.00000   0.00000   2.09066
   A132       2.06956   0.00001   0.00003   0.00004   0.00007   2.06964
   A133       1.97390   0.00000   0.00006   0.00000   0.00006   1.97396
   A134       2.02163  -0.00001   0.00005   0.00000   0.00005   2.02168
   A135       2.25027   0.00000  -0.00002  -0.00001  -0.00003   2.25024
   A136       1.90650   0.00002   0.00000   0.00002   0.00003   1.90653
   A137       2.12532  -0.00001   0.00002  -0.00002   0.00000   2.12532
   A138       2.01987  -0.00004   0.00004  -0.00004   0.00000   2.01987
   A139       1.92604  -0.00002   0.00002   0.00001   0.00003   1.92607
   A140       1.75696   0.00001  -0.00003   0.00001  -0.00002   1.75694
   A141       1.88946   0.00000  -0.00004   0.00000  -0.00004   1.88941
   A142       1.98252   0.00000  -0.00002  -0.00001  -0.00003   1.98249
   A143       1.96700   0.00000   0.00003  -0.00001   0.00002   1.96702
   A144       1.92882   0.00000   0.00004   0.00000   0.00004   1.92886
   A145       2.27421   0.00001  -0.00002   0.00001   0.00000   2.27421
   A146       2.09418  -0.00001   0.00003   0.00000   0.00003   2.09421
   A147       1.91463   0.00000  -0.00001  -0.00001  -0.00002   1.91461
   A148       2.01218   0.00001   0.00002   0.00001   0.00003   2.01221
   A149       2.21912   0.00000  -0.00001   0.00000  -0.00001   2.21911
   A150       2.05185   0.00000  -0.00001  -0.00001  -0.00002   2.05183
   A151       1.94613   0.00000  -0.00001   0.00000  -0.00001   1.94612
   A152       1.98187   0.00000   0.00001   0.00000   0.00001   1.98188
   A153       2.18166   0.00000  -0.00001   0.00000  -0.00001   2.18166
   A154       2.11895   0.00000   0.00000  -0.00001  -0.00001   2.11894
   A155       1.56966  -0.00001  -0.00001   0.00000  -0.00001   1.56964
   A156       1.96621   0.00001   0.00001   0.00001   0.00002   1.96623
   A157       1.92531  -0.00001  -0.00004   0.00000  -0.00004   1.92527
   A158       1.85678   0.00000   0.00000   0.00000   0.00000   1.85678
   A159       1.93397   0.00000   0.00007  -0.00002   0.00005   1.93402
   A160       1.89061  -0.00001  -0.00002   0.00000  -0.00002   1.89059
   A161       1.88738   0.00000  -0.00003   0.00001  -0.00002   1.88736
   A162       1.95501   0.00000  -0.00003   0.00001  -0.00002   1.95499
   A163       1.97000   0.00001   0.00009  -0.00001   0.00009   1.97009
   A164       1.94280   0.00000   0.00006  -0.00001   0.00005   1.94284
   A165       1.85526   0.00000  -0.00003  -0.00001  -0.00004   1.85522
   A166       1.86651   0.00000   0.00001   0.00001   0.00003   1.86653
   A167       1.86795  -0.00001  -0.00012   0.00001  -0.00011   1.86784
   A168       1.93057   0.00000  -0.00001   0.00001  -0.00001   1.93057
   A169       1.96243   0.00000   0.00000  -0.00001  -0.00002   1.96241
   A170       1.96149   0.00000   0.00001   0.00001   0.00001   1.96150
   A171       1.85707   0.00000   0.00001   0.00001   0.00002   1.85709
   A172       1.86335   0.00000  -0.00002   0.00000  -0.00002   1.86334
   A173       1.88313   0.00000   0.00001  -0.00001   0.00001   1.88314
   A174       1.91622   0.00000   0.00000   0.00000   0.00000   1.91622
   A175       2.23737   0.00000   0.00003   0.00000   0.00004   2.23741
   A176       2.12956   0.00000  -0.00003  -0.00001  -0.00004   2.12952
   A177       1.57966   0.00000  -0.00001   0.00000  -0.00001   1.57966
    D1        1.08748   0.00000   0.00001   0.00010   0.00011   1.08759
    D2       -3.04349   0.00000   0.00001   0.00011   0.00011  -3.04338
    D3       -0.99187   0.00000   0.00001   0.00010   0.00011  -0.99176
    D4       -3.10988   0.00000   0.00001   0.00010   0.00011  -3.10978
    D5       -0.95767   0.00000   0.00000   0.00010   0.00011  -0.95756
    D6        1.09395   0.00000   0.00001   0.00010   0.00011   1.09406
    D7       -1.00481   0.00000   0.00001   0.00010   0.00011  -1.00470
    D8        1.14740   0.00000   0.00001   0.00011   0.00012   1.14752
    D9       -3.08417   0.00000   0.00001   0.00011   0.00012  -3.08405
   D10        1.00094   0.00000   0.00013   0.00006   0.00019   1.00113
   D11        3.10659   0.00000   0.00013   0.00006   0.00019   3.10678
   D12       -1.09027   0.00000   0.00013   0.00006   0.00019  -1.09009
   D13       -1.15003   0.00000   0.00013   0.00006   0.00019  -1.14985
   D14        0.95562   0.00000   0.00013   0.00006   0.00019   0.95581
   D15        3.04194   0.00000   0.00013   0.00006   0.00018   3.04212
   D16        3.07999   0.00000   0.00013   0.00006   0.00019   3.08018
   D17       -1.09754   0.00000   0.00014   0.00006   0.00019  -1.09735
   D18        0.98878   0.00000   0.00013   0.00006   0.00019   0.98897
   D19        2.04301   0.00000   0.00002   0.00016   0.00018   2.04318
   D20       -1.09897   0.00000   0.00004  -0.00008  -0.00004  -1.09901
   D21       -2.07405   0.00000   0.00002   0.00016   0.00018  -2.07387
   D22        1.06716   0.00000   0.00004  -0.00008  -0.00003   1.06713
   D23       -0.01460   0.00000   0.00001   0.00016   0.00017  -0.01443
   D24        3.12661   0.00000   0.00004  -0.00008  -0.00004   3.12657
   D25       -3.13738   0.00000  -0.00001  -0.00005  -0.00006  -3.13744
   D26        0.00457   0.00000  -0.00003   0.00017   0.00013   0.00470
   D27        3.13863   0.00000   0.00000   0.00001   0.00001   3.13864
   D28       -0.00330   0.00000   0.00002  -0.00020  -0.00018  -0.00347
   D29        3.13131   0.00000  -0.00001   0.00002   0.00001   3.13132
   D30       -0.00395   0.00000   0.00003  -0.00004   0.00000  -0.00396
   D31        1.91697   0.00000   0.00047  -0.00014   0.00033   1.91730
   D32       -2.20443   0.00000   0.00052  -0.00016   0.00037  -2.20407
   D33       -0.19001   0.00000   0.00048  -0.00015   0.00033  -0.18969
   D34       -1.23182   0.00000   0.00041  -0.00007   0.00034  -1.23148
   D35        0.92997   0.00000   0.00047  -0.00009   0.00038   0.93035
   D36        2.94439   0.00000   0.00042  -0.00008   0.00034   2.94473
   D37        0.00134   0.00000  -0.00002  -0.00011  -0.00013   0.00120
   D38       -3.13119   0.00000  -0.00010   0.00010   0.00000  -3.13118
   D39       -3.13320   0.00000   0.00003  -0.00018  -0.00015  -3.13335
   D40        0.01746   0.00000  -0.00005   0.00004  -0.00001   0.01745
   D41       -1.23915   0.00000   0.00016   0.00018   0.00033  -1.23881
   D42        1.28029   0.00000  -0.00016  -0.00004  -0.00020   1.28009
   D43        2.88222   0.00000   0.00011   0.00019   0.00030   2.88252
   D44       -0.88153   0.00000  -0.00021  -0.00002  -0.00024  -0.88176
   D45        0.89148   0.00000   0.00014   0.00019   0.00033   0.89181
   D46       -2.87227   0.00000  -0.00017  -0.00003  -0.00020  -2.87247
   D47       -1.19487   0.00000   0.00098   0.00096   0.00194  -1.19293
   D48        3.02026   0.00000   0.00098   0.00096   0.00194   3.02220
   D49        0.90850   0.00000   0.00101   0.00098   0.00200   0.91050
   D50        2.52969   0.00000   0.00125   0.00117   0.00242   2.53211
   D51        0.46163   0.00001   0.00125   0.00117   0.00242   0.46405
   D52       -1.65013   0.00001   0.00129   0.00119   0.00247  -1.64765
   D53       -2.77622   0.00000   0.00025   0.00002   0.00027  -2.77595
   D54        0.40618   0.00000   0.00023   0.00008   0.00031   0.40649
   D55       -0.26416   0.00000  -0.00005  -0.00018  -0.00023  -0.26439
   D56        2.91824   0.00000  -0.00007  -0.00012  -0.00019   2.91805
   D57        2.84255   0.00000   0.00012  -0.00004   0.00008   2.84263
   D58        0.38726   0.00000  -0.00027  -0.00013  -0.00040   0.38686
   D59       -0.25892   0.00000   0.00010   0.00002   0.00012  -0.25880
   D60       -2.71421   0.00000  -0.00029  -0.00007  -0.00036  -2.71457
   D61       -1.42460   0.00000  -0.00066  -0.00013  -0.00079  -1.42539
   D62        2.71727  -0.00001  -0.00067  -0.00010  -0.00077   2.71650
   D63        0.65734   0.00000  -0.00066  -0.00012  -0.00078   0.65656
   D64        1.06025   0.00000  -0.00028  -0.00003  -0.00031   1.05994
   D65       -1.08107   0.00000  -0.00029   0.00000  -0.00029  -1.08135
   D66       -3.14099   0.00000  -0.00028  -0.00002  -0.00030  -3.14129
   D67       -0.54506   0.00000   0.00001  -0.00016  -0.00015  -0.54521
   D68        2.62260  -0.00001  -0.00011  -0.00020  -0.00031   2.62229
   D69        1.57175   0.00000   0.00003  -0.00017  -0.00014   1.57161
   D70       -1.54378  -0.00001  -0.00009  -0.00021  -0.00030  -1.54407
   D71       -2.60237   0.00000  -0.00003  -0.00018  -0.00021  -2.60258
   D72        0.56529  -0.00001  -0.00015  -0.00022  -0.00037   0.56492
   D73        1.23608   0.00000   0.00000  -0.00007  -0.00007   1.23601
   D74       -2.87592   0.00000   0.00008  -0.00009  -0.00002  -2.87593
   D75       -0.83290   0.00000   0.00002  -0.00008  -0.00006  -0.83296
   D76       -0.89286   0.00000  -0.00001  -0.00004  -0.00005  -0.89292
   D77        1.27833   0.00000   0.00007  -0.00006   0.00000   1.27833
   D78       -2.96185   0.00000   0.00001  -0.00005  -0.00004  -2.96189
   D79       -3.00706   0.00000   0.00004  -0.00004   0.00000  -3.00706
   D80       -0.83587   0.00000   0.00012  -0.00006   0.00006  -0.83581
   D81        1.20714   0.00000   0.00006  -0.00005   0.00002   1.20715
   D82        3.14083   0.00001   0.00004  -0.00001   0.00003   3.14085
   D83       -0.03713   0.00001   0.00034   0.00012   0.00046  -0.03667
   D84        0.02460   0.00000  -0.00007  -0.00005  -0.00012   0.02447
   D85        3.12983   0.00000   0.00022   0.00008   0.00030   3.13013
   D86        2.39435   0.00000   0.00013   0.00017   0.00029   2.39464
   D87       -1.71862   0.00000   0.00015   0.00012   0.00027  -1.71835
   D88        0.34454   0.00000   0.00015   0.00015   0.00031   0.34485
   D89       -0.71263   0.00000  -0.00016   0.00004  -0.00012  -0.71274
   D90        1.45758   0.00000  -0.00013  -0.00001  -0.00013   1.45745
   D91       -2.76243   0.00000  -0.00013   0.00003  -0.00010  -2.76254
   D92        1.03438   0.00001   0.00026  -0.00006   0.00020   1.03458
   D93       -1.11490   0.00001   0.00023  -0.00003   0.00020  -1.11470
   D94       -3.09033   0.00001   0.00025  -0.00004   0.00021  -3.09013
   D95       -1.11319  -0.00001   0.00019  -0.00002   0.00017  -1.11302
   D96        3.02071  -0.00001   0.00016   0.00001   0.00017   3.02089
   D97        1.04528  -0.00001   0.00018   0.00000   0.00018   1.04546
   D98        3.08002   0.00000   0.00021  -0.00004   0.00017   3.08018
   D99        0.93074   0.00000   0.00018  -0.00001   0.00017   0.93090
   D100      -1.04470   0.00000   0.00020  -0.00003   0.00017  -1.04453
   D101       1.12479   0.00000  -0.00011   0.00003  -0.00008   1.12470
   D102      -1.00235   0.00000  -0.00014   0.00003  -0.00011  -1.00246
   D103      -3.01452   0.00000  -0.00009   0.00005  -0.00004  -3.01456
   D104      -3.01162   0.00000  -0.00007  -0.00004  -0.00011  -3.01173
   D105       1.14444   0.00000  -0.00010  -0.00004  -0.00014   1.14430
   D106      -0.86773   0.00000  -0.00005  -0.00002  -0.00007  -0.86780
   D107      -0.92776   0.00000  -0.00009  -0.00001  -0.00010  -0.92786
   D108      -3.05489   0.00000  -0.00012  -0.00001  -0.00013  -3.05502
   D109       1.21613   0.00000  -0.00007   0.00001  -0.00006   1.21607
   D110      -1.63834   0.00000   0.00019   0.00002   0.00021  -1.63813
   D111       1.51150   0.00000   0.00020   0.00000   0.00020   1.51170
   D112       0.49849   0.00000   0.00022  -0.00001   0.00021   0.49870
   D113      -2.63486   0.00000   0.00024  -0.00004   0.00020  -2.63466
   D114       2.49893   0.00000   0.00021   0.00001   0.00023   2.49916
   D115      -0.63441   0.00000   0.00023  -0.00001   0.00022  -0.63419
   D116       3.13976   0.00000   0.00000  -0.00002  -0.00002   3.13974
   D117      -0.01847   0.00000  -0.00003  -0.00001  -0.00004  -0.01851
   D118      -0.01000   0.00000  -0.00002   0.00001  -0.00001  -0.01001
   D119       3.11496   0.00000  -0.00005   0.00001  -0.00003   3.11493
   D120      -3.13918   0.00000  -0.00001   0.00001   0.00001  -3.13918
   D121       0.00996   0.00000  -0.00001   0.00001   0.00000   0.00996
   D122       0.01062   0.00000   0.00001  -0.00001   0.00000   0.01061
   D123      -3.12342   0.00000   0.00000  -0.00001  -0.00001  -3.12343
   D124       0.00168   0.00000   0.00001   0.00000   0.00002   0.00169
   D125       3.13799   0.00000   0.00001   0.00001   0.00002   3.13802
   D126      -3.12336   0.00000   0.00004  -0.00001   0.00004  -3.12332
   D127       0.01296   0.00000   0.00004   0.00000   0.00004   0.01300
   D128       0.00607   0.00000   0.00000  -0.00001  -0.00001   0.00607
   D129       3.14130   0.00000  -0.00001   0.00000   0.00000   3.14130
   D130      -3.13023   0.00000   0.00000  -0.00001  -0.00001  -3.13025
   D131       0.00500   0.00000  -0.00001   0.00000  -0.00001   0.00499
   D132      -0.00545   0.00000  -0.00001   0.00000  -0.00001  -0.00546
   D133       3.13311   0.00000  -0.00001   0.00001  -0.00001   3.13310
   D134      -3.14068   0.00000   0.00000  -0.00001  -0.00001  -3.14069
   D135      -0.00212   0.00000  -0.00001   0.00000  -0.00001  -0.00213
   D136      -0.00292   0.00000   0.00001   0.00001   0.00001  -0.00291
   D137       3.13115   0.00000   0.00001   0.00001   0.00002   3.13117
   D138      -3.14149   0.00000   0.00001   0.00000   0.00001  -3.14148
   D139      -0.00741   0.00000   0.00002   0.00000   0.00002  -0.00739
   D140      -1.83843  -0.00001   0.00008  -0.00023  -0.00015  -1.83857
   D141       2.45671  -0.00001   0.00009  -0.00022  -0.00013   2.45657
   D142       0.24680   0.00000   0.00005  -0.00020  -0.00015   0.24666
   D143       0.30483   0.00000   0.00011  -0.00022  -0.00011   0.30471
   D144      -1.68323   0.00000   0.00012  -0.00021  -0.00010  -1.68332
   D145       2.39005   0.00000   0.00008  -0.00019  -0.00011   2.38994
   D146       2.31782   0.00000   0.00006  -0.00023  -0.00017   2.31765
   D147       0.32977   0.00000   0.00007  -0.00023  -0.00016   0.32961
   D148      -1.88013   0.00000   0.00004  -0.00021  -0.00017  -1.88030
   D149       1.18338   0.00000  -0.00049   0.00056   0.00007   1.18345
   D150      -2.96236   0.00000  -0.00049   0.00056   0.00008  -2.96228
   D151      -0.92986   0.00000  -0.00049   0.00056   0.00006  -0.92980
   D152      -0.95850   0.00000  -0.00004   0.00007   0.00003  -0.95847
   D153      -3.11635  -0.00001  -0.00001   0.00004   0.00003  -3.11632
   D154       1.16661  -0.00001  -0.00006   0.00006   0.00000   1.16660
   D155      -3.02111   0.00001  -0.00002   0.00011   0.00009  -3.02102
   D156       1.10422   0.00000   0.00002   0.00007   0.00009   1.10431
   D157      -0.89600   0.00000  -0.00004   0.00009   0.00005  -0.89595
   D158       1.25617   0.00000   0.00000   0.00007   0.00007   1.25625
   D159      -0.90168   0.00000   0.00004   0.00003   0.00007  -0.90161
   D160      -2.90190   0.00000  -0.00002   0.00005   0.00003  -2.90187
   D161       3.00658   0.00000   0.00037   0.00016   0.00053   3.00711
   D162      -1.13582   0.00000   0.00038   0.00014   0.00052  -1.13530
   D163       0.86987   0.00000   0.00037   0.00017   0.00054   0.87041
   D164      -1.15427   0.00000   0.00033   0.00018   0.00051  -1.15375
   D165       0.98652   0.00000   0.00034   0.00017   0.00050   0.98702
   D166       2.99222   0.00000   0.00033   0.00020   0.00052   2.99274
   D167       0.88986   0.00000   0.00040   0.00018   0.00058   0.89045
   D168       3.03065   0.00000   0.00041   0.00016   0.00057   3.03122
   D169      -1.24684   0.00000   0.00040   0.00019   0.00059  -1.24625
   D170       1.13489  -0.00001  -0.00007   0.00015   0.00009   1.13498
   D171      -1.31740  -0.00001  -0.00027   0.00009  -0.00018  -1.31758
   D172      -1.02200   0.00000  -0.00001   0.00014   0.00013  -1.02186
   D173       2.80890   0.00000  -0.00022   0.00008  -0.00014   2.80876
   D174      -3.10978   0.00000  -0.00005   0.00014   0.00009  -3.10969
   D175       0.72112   0.00000  -0.00026   0.00007  -0.00018   0.72093
   D176       1.68940   0.00000   0.00030   0.00023   0.00053   1.68993
   D177      -1.45597   0.00000   0.00029   0.00023   0.00052  -1.45545
   D178      -0.44939   0.00000   0.00032   0.00023   0.00055  -0.44885
   D179       2.68842   0.00000   0.00031   0.00023   0.00054   2.68896
   D180      -2.46562   0.00000   0.00029   0.00023   0.00052  -2.46510
   D181       0.67219   0.00000   0.00028   0.00024   0.00052   0.67271
   D182       3.13456   0.00000   0.00000   0.00000   0.00000   3.13456
   D183      -0.01479   0.00000   0.00000  -0.00001  -0.00001  -0.01480
   D184      -0.00328   0.00000   0.00001   0.00000   0.00000  -0.00327
   D185       3.13056   0.00000   0.00001  -0.00001  -0.00001   3.13056
   D186      -3.13448   0.00000   0.00000   0.00000   0.00000  -3.13448
   D187       0.00794   0.00000  -0.00001   0.00000  -0.00001   0.00794
   D188       0.00334   0.00000  -0.00001   0.00000   0.00000   0.00334
   D189      -3.13742   0.00000  -0.00001   0.00000  -0.00001  -3.13743
   D190       0.00060   0.00000  -0.00001   0.00000   0.00000   0.00059
   D191       3.14099   0.00000  -0.00001   0.00000  -0.00001   3.14098
   D192      -3.13319   0.00000   0.00000   0.00001   0.00001  -3.13318
   D193       0.00720   0.00000  -0.00001   0.00001   0.00001   0.00721
   D194       0.00203   0.00000   0.00000   0.00000   0.00000   0.00203
   D195      -3.14071   0.00000   0.00000   0.00000   0.00000  -3.14072
   D196      -3.13837   0.00000   0.00000   0.00000   0.00000  -3.13836
   D197       0.00208   0.00000   0.00000   0.00000   0.00000   0.00208
   D198      -0.00196   0.00000   0.00000   0.00000   0.00000  -0.00196
   D199       3.13942   0.00000   0.00000   0.00000   0.00000   3.13942
   D200       3.14078   0.00000   0.00000   0.00000   0.00000   3.14078
   D201      -0.00103   0.00000   0.00000   0.00000   0.00000  -0.00102
   D202      -0.00073   0.00000   0.00000   0.00000   0.00000  -0.00073
   D203       3.14004   0.00000   0.00001   0.00000   0.00001   3.14005
   D204       3.14108   0.00000   0.00000   0.00000   0.00000   3.14108
   D205      -0.00134   0.00000   0.00001   0.00000   0.00001  -0.00133
   D206       0.56608  -0.00001  -0.00006  -0.00009  -0.00015   0.56593
   D207      -2.62579  -0.00001  -0.00009  -0.00006  -0.00015  -2.62594
   D208       3.00014   0.00000   0.00015  -0.00002   0.00013   3.00027
   D209      -0.19173   0.00000   0.00012   0.00000   0.00013  -0.19161
   D210       3.10146  -0.00001  -0.00001  -0.00009  -0.00010   3.10136
   D211      -0.08613  -0.00001  -0.00004  -0.00007  -0.00011  -0.08624
   D212      -1.14991   0.00001   0.00018   0.00006   0.00024  -1.14967
   D213       3.03400   0.00001   0.00022   0.00006   0.00028   3.03428
   D214       1.01025   0.00000   0.00021   0.00006   0.00026   1.01051
   D215      -2.05185  -0.00001  -0.00011   0.00001  -0.00010  -2.05195
   D216       1.06866  -0.00001  -0.00006   0.00002  -0.00004   1.06862
   D217      -0.09404   0.00000  -0.00014   0.00002  -0.00012  -0.09416
   D218       3.02647   0.00000  -0.00009   0.00003  -0.00006   3.02641
   D219       2.11672   0.00000  -0.00009   0.00001  -0.00008   2.11664
   D220      -1.04596   0.00000  -0.00004   0.00002  -0.00002  -1.04598
   D221       3.13769   0.00000   0.00003   0.00003   0.00006   3.13775
   D222      -0.01294   0.00000  -0.00005   0.00008   0.00003  -0.01291
   D223       0.01549   0.00000  -0.00002   0.00002   0.00000   0.01549
   D224      -3.13513   0.00000  -0.00010   0.00007  -0.00003  -3.13516
   D225       3.13873   0.00000  -0.00004  -0.00003  -0.00007   3.13865
   D226      -0.01994   0.00000   0.00000  -0.00002  -0.00002  -0.01996
   D227       0.00033   0.00000   0.00003   0.00000   0.00003   0.00036
   D228      -3.13314   0.00000   0.00011  -0.00005   0.00006  -3.13308
   D229      -0.01633   0.00000  -0.00004  -0.00001  -0.00005  -0.01638
   D230      -3.11800   0.00001  -0.00004   0.00013   0.00009  -3.11791
   D231       0.02133   0.00000   0.00002   0.00002   0.00004   0.02137
   D232       3.12461  -0.00001   0.00003  -0.00012  -0.00009   3.12451
   D233      -0.98816   0.00000  -0.00069   0.00015  -0.00054  -0.98870
   D234       1.10520   0.00000  -0.00068   0.00014  -0.00054   1.10466
   D235      -3.07698   0.00000  -0.00073   0.00014  -0.00059  -3.07757
   D236       3.12860   0.00000  -0.00071   0.00016  -0.00054   3.12806
   D237      -1.06122   0.00000  -0.00069   0.00014  -0.00055  -1.06177
   D238       1.03979   0.00000  -0.00074   0.00014  -0.00060   1.03919
   D239       1.06091   0.00000  -0.00070   0.00016  -0.00054   1.06038
   D240      -3.12890   0.00000  -0.00068   0.00014  -0.00054  -3.12945
   D241      -1.02790   0.00000  -0.00073   0.00014  -0.00059  -1.02849
   D242       2.96078   0.00000  -0.00027  -0.00009  -0.00036   2.96041
   D243      -1.24897   0.00000  -0.00027  -0.00008  -0.00035  -1.24932
   D244       0.88000   0.00000  -0.00025  -0.00010  -0.00035   0.87965
   D245      -1.13282   0.00000  -0.00023  -0.00009  -0.00032  -1.13314
   D246       0.94062   0.00000  -0.00023  -0.00008  -0.00031   0.94031
   D247       3.06959   0.00000  -0.00021  -0.00010  -0.00030   3.06928
   D248       0.93683   0.00000  -0.00024  -0.00009  -0.00033   0.93650
   D249       3.01027   0.00000  -0.00023  -0.00009  -0.00032   3.00995
   D250      -1.14395   0.00000  -0.00021  -0.00010  -0.00031  -1.14427
   D251       0.00100   0.00000   0.00000   0.00017   0.00017   0.00117
   D252       3.13418   0.00000   0.00008  -0.00003   0.00004   3.13423
         Item               Value     Threshold  Converged?
 Maximum Force            0.000040     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.005460     0.001800     NO 
 RMS     Displacement     0.000949     0.001200     YES
 Predicted change in Energy=-4.779481D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.772282   -2.053018    0.950182
      2          6           0       -9.316160   -1.007302   -0.072020
      3          6           0      -10.086508    0.308121    0.077009
      4          6           0       -7.844232   -0.767710    0.051462
      5          7           0       -6.934300   -1.002833   -0.862844
      6          6           0       -5.626576   -0.668022   -0.422699
      7          6           0       -4.490616   -0.904906   -1.377907
      8          7           0       -3.892529    0.348083   -1.905046
      9          6           0       -4.768607    1.077748   -2.863473
     10          6           0       -3.072234    1.171040   -1.091143
     11          8           0       -2.879833    2.354685   -1.349239
     12          7           0       -2.426093    0.561338    0.026275
     13          6           0       -1.294275    1.316514    0.610886
     14          6           0       -0.009023    1.072499   -0.207919
     15          8           0        0.228059    0.023715   -0.797586
     16          7           0        0.904874    2.120435   -0.216619
     17          6           0        2.189512    2.025679   -0.963846
     18          6           0        2.466343    3.349585   -1.709896
     19          6           0        2.558352    4.557151   -0.818755
     20          6           0        1.421519    5.348941   -0.590055
     21          6           0        1.502947    6.470492    0.239250
     22          6           0        2.716325    6.812345    0.844481
     23          6           0        3.852337    6.030923    0.611048
     24          6           0        3.777126    4.908490   -0.217999
     25          6           0        3.335198    1.643258   -0.003183
     26          6           0        3.127482    0.243803    0.585967
     27          8           0        2.701588    0.363624    1.960449
     28          6           0        4.416255   -0.619447    0.726656
     29          6           0        5.164189   -0.748788   -0.610253
     30          6           0        6.498225   -1.421216   -0.439102
     31          6           0        6.624931   -2.796661   -0.687343
     32          6           0        7.864585   -3.422231   -0.537339
     33          6           0        8.983159   -2.682226   -0.139076
     34          6           0        8.857411   -1.312437    0.111558
     35          6           0        7.619578   -0.680257   -0.036617
     36          7           0        4.028682   -1.955332    1.279735
     37          6           0        3.215071   -2.787187    0.508134
     38          8           0        3.163546   -2.897657   -0.707213
     39          8           0        2.448960   -3.584999    1.348099
     40          6           0        1.500775   -4.480431    0.683507
     41          6           0        0.453747   -3.700291   -0.004509
     42          6           0       -0.899187   -3.662141    0.198640
     43          7           0       -1.611102   -2.788260   -0.648452
     44          6           0       -0.805065   -2.166376   -1.490409
     45         16           0        0.889230   -2.590867   -1.284694
     46          6           0       -1.111868    0.890217    2.097147
     47          6           0       -0.560557   -0.527606    2.239342
     48          6           0       -0.222233    1.896437    2.833498
     49          6           0       -5.549730   -0.166710    0.845315
     50         16           0       -7.136110   -0.096053    1.546562
     51          1           0      -10.828089   -2.308913    0.802318
     52          1           0       -9.194152   -2.981360    0.858584
     53          1           0       -9.666406   -1.700618    1.982976
     54          1           0       -9.510956   -1.415609   -1.105138
     55          1           0       -9.993690    0.734362    1.082980
     56          1           0       -9.731120    1.064206   -0.634323
     57          1           0      -11.155969    0.157586   -0.112267
     58          1           0       -3.701407   -1.532753   -0.889771
     59          1           0       -4.843297   -1.508612   -2.253698
     60          1           0       -4.853613    0.480971   -3.786355
     61          1           0       -4.321583    2.056537   -3.122938
     62          1           0       -5.779832    1.256356   -2.462527
     63          1           0       -2.284551   -0.459156    0.011419
     64          1           0       -1.566144    2.413016    0.571640
     65          1           0        0.716488    2.999752    0.260352
     66          1           0        2.077144    1.207141   -1.734891
     67          1           0        1.668828    3.500864   -2.471928
     68          1           0        3.399094    3.238894   -2.301869
     69          1           0        0.475299    5.100626   -1.070818
     70          1           0        0.617946    7.082706    0.410007
     71          1           0        2.777784    7.686286    1.489758
     72          1           0        4.800858    6.299148    1.074705
     73          1           0        4.668756    4.312791   -0.401001
     74          1           0        3.419978    2.379532    0.823622
     75          1           0        4.301134    1.705208   -0.544355
     76          1           0        2.339635   -0.317743    0.019426
     77          1           0        1.789732    0.757465    2.007826
     78          1           0        5.088919   -0.153267    1.498750
     79          1           0        4.538782   -1.314500   -1.344408
     80          1           0        5.295741    0.259114   -1.059119
     81          1           0        5.749313   -3.373520   -0.990342
     82          1           0        7.959336   -4.489573   -0.730165
     83          1           0        9.947435   -3.171597   -0.023813
     84          1           0        9.725952   -0.735383    0.423434
     85          1           0        7.530025    0.384503    0.161558
     86          1           0        3.816717   -1.929485    2.288069
     87          1           0        1.124322   -5.060726    1.550393
     88          1           0        2.068485   -5.137150   -0.006848
     89          1           0       -1.468527   -4.230853    0.925681
     90          1           0       -1.119004   -1.429856   -2.224631
     91          1           0       -2.133500    0.920221    2.563075
     92          1           0       -1.191826   -1.267872    1.729400
     93          1           0        0.448344   -0.638469    1.816034
     94          1           0       -0.501792   -0.828653    3.291833
     95          1           0       -0.238557    1.707720    3.915644
     96          1           0        0.833274    1.831636    2.522069
     97          1           0       -0.553208    2.930501    2.688127
     98          1           0       -4.672791    0.160589    1.380973
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0813180      0.0289558      0.0233435
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.7889789741 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258573659671     A.U. after   12 cycles
             Convg  =    0.6191D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000021   -0.000000983   -0.000000232
      2        6           0.000000291   -0.000002863    0.000002966
      3        6           0.000000150   -0.000000056    0.000000365
      4        6          -0.000000194    0.000012456   -0.000017079
      5        7           0.000002018   -0.000003399    0.000006594
      6        6          -0.000002611   -0.000004199    0.000002524
      7        6           0.000000077   -0.000004893   -0.000001733
      8        7          -0.000003356    0.000021864   -0.000002617
      9        6           0.000009796   -0.000002351    0.000001324
     10        6          -0.000008262   -0.000023902    0.000021182
     11        8           0.000000280    0.000001169   -0.000000635
     12        7           0.000004587    0.000006578   -0.000019071
     13        6           0.000006979   -0.000007190   -0.000001275
     14        6          -0.000005029    0.000014026   -0.000001251
     15        8           0.000000926   -0.000006552    0.000000858
     16        7          -0.000004912    0.000010954   -0.000001874
     17        6           0.000005201   -0.000005866    0.000013926
     18        6          -0.000000343   -0.000004091   -0.000007602
     19        6           0.000001756    0.000000515   -0.000001615
     20        6          -0.000003391    0.000001460   -0.000001606
     21        6          -0.000000974   -0.000005593    0.000000701
     22        6           0.000005357    0.000001611   -0.000000754
     23        6          -0.000003950    0.000002869    0.000000576
     24        6           0.000000056   -0.000005665    0.000001603
     25        6           0.000007599    0.000001335    0.000005491
     26        6           0.000015151   -0.000006960   -0.000002209
     27        8           0.000009586    0.000002075   -0.000010005
     28        6          -0.000014321    0.000003054    0.000005231
     29        6           0.000011246   -0.000003632   -0.000000556
     30        6          -0.000001927   -0.000002042   -0.000000375
     31        6          -0.000002296   -0.000002301    0.000000299
     32        6           0.000001776    0.000002307    0.000000306
     33        6           0.000000040   -0.000002966   -0.000001254
     34        6          -0.000001761    0.000001539    0.000001173
     35        6           0.000001861    0.000000604   -0.000000112
     36        7           0.000000537   -0.000002534   -0.000009522
     37        6           0.000002883   -0.000000334   -0.000005593
     38        8           0.000001636    0.000002433   -0.000000893
     39        8          -0.000000026    0.000014375    0.000016275
     40        6          -0.000003066   -0.000011701   -0.000013271
     41        6           0.000013791    0.000005509    0.000030446
     42        6          -0.000019397   -0.000001528   -0.000008308
     43        7           0.000002979    0.000005686   -0.000009069
     44        6           0.000001349    0.000000472    0.000006720
     45       16          -0.000004598   -0.000006046   -0.000016376
     46        6           0.000004574    0.000000687   -0.000000478
     47        6          -0.000009127    0.000002040    0.000008243
     48        6           0.000004852   -0.000004975    0.000002786
     49        6          -0.000000058    0.000000204   -0.000007153
     50       16          -0.000001724   -0.000005502    0.000010079
     51        1          -0.000000033   -0.000000056    0.000000163
     52        1           0.000000406    0.000000601   -0.000000124
     53        1          -0.000000150   -0.000000210    0.000000099
     54        1          -0.000000327    0.000000234    0.000000219
     55        1           0.000000629    0.000000275    0.000000325
     56        1           0.000000218    0.000000163   -0.000000238
     57        1           0.000000134    0.000000294   -0.000000427
     58        1          -0.000002014   -0.000000746    0.000002193
     59        1          -0.000000298    0.000004613   -0.000000402
     60        1           0.000000274    0.000000711   -0.000000133
     61        1          -0.000001984    0.000001075   -0.000001989
     62        1          -0.000002083   -0.000001495   -0.000001057
     63        1           0.000000632   -0.000002891   -0.000000447
     64        1          -0.000001775    0.000001425    0.000003735
     65        1           0.000005325   -0.000001914   -0.000002523
     66        1          -0.000000419    0.000000316   -0.000001680
     67        1           0.000000428    0.000001176   -0.000000012
     68        1           0.000000961   -0.000000724   -0.000001371
     69        1           0.000001254   -0.000000227   -0.000000863
     70        1           0.000000101    0.000000608   -0.000000046
     71        1          -0.000000522   -0.000000012   -0.000000099
     72        1           0.000000544   -0.000000370   -0.000000080
     73        1          -0.000000432    0.000000467   -0.000000647
     74        1          -0.000004986    0.000002675   -0.000001358
     75        1          -0.000004706    0.000002020   -0.000003319
     76        1          -0.000008801    0.000002547    0.000001597
     77        1          -0.000019604   -0.000001321    0.000003399
     78        1          -0.000001248    0.000000527    0.000002972
     79        1          -0.000002395    0.000002598    0.000001560
     80        1           0.000000470    0.000000965   -0.000001157
     81        1           0.000002395    0.000001680   -0.000000072
     82        1          -0.000000361   -0.000000295   -0.000000065
     83        1           0.000000166    0.000000417    0.000000476
     84        1           0.000000321   -0.000000042   -0.000000273
     85        1          -0.000000311    0.000000161   -0.000000221
     86        1           0.000004138   -0.000004459    0.000003254
     87        1           0.000002902    0.000003088    0.000004303
     88        1          -0.000002170    0.000001088   -0.000001279
     89        1           0.000003519   -0.000004645    0.000003480
     90        1           0.000000104   -0.000003337   -0.000000817
     91        1          -0.000002032   -0.000000360   -0.000001013
     92        1           0.000001054    0.000002787   -0.000000163
     93        1           0.000005799   -0.000000243    0.000001008
     94        1           0.000003319   -0.000001735   -0.000001559
     95        1          -0.000001639    0.000001863   -0.000000295
     96        1          -0.000002855   -0.000000119   -0.000003803
     97        1          -0.000000868    0.000001497    0.000000916
     98        1           0.000000890    0.000001630    0.000000687
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000030446 RMS     0.000005568

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000037649 RMS     0.000003943
 Search for a local minimum.
 Step number  88 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   70   73   72   74   75
                                                     76   77   78   79   80
                                                     81   82   83   84   85
                                                     86   87   88
 DE= -6.76D-08 DEPred=-4.78D-08 R= 1.41D+00
 Trust test= 1.41D+00 RLast= 6.69D-03 DXMaxT set to 3.35D-01
     Eigenvalues ---    0.00062   0.00082   0.00111   0.00199   0.00227
     Eigenvalues ---    0.00245   0.00274   0.00343   0.00415   0.00512
     Eigenvalues ---    0.00580   0.00662   0.00703   0.00758   0.00824
     Eigenvalues ---    0.00857   0.00985   0.01053   0.01157   0.01241
     Eigenvalues ---    0.01281   0.01376   0.01433   0.01439   0.01479
     Eigenvalues ---    0.01517   0.01567   0.01704   0.01716   0.01753
     Eigenvalues ---    0.01933   0.02051   0.02142   0.02183   0.02194
     Eigenvalues ---    0.02203   0.02222   0.02258   0.02269   0.02292
     Eigenvalues ---    0.02328   0.02371   0.02387   0.02405   0.02409
     Eigenvalues ---    0.02417   0.02448   0.02482   0.02485   0.02505
     Eigenvalues ---    0.02527   0.02528   0.02596   0.02671   0.02708
     Eigenvalues ---    0.02922   0.02949   0.03376   0.03966   0.04018
     Eigenvalues ---    0.04144   0.04176   0.04192   0.04466   0.04480
     Eigenvalues ---    0.04608   0.04748   0.04951   0.04971   0.05086
     Eigenvalues ---    0.05193   0.05201   0.05314   0.05374   0.05429
     Eigenvalues ---    0.05490   0.05511   0.05535   0.05571   0.05646
     Eigenvalues ---    0.05724   0.05753   0.05822   0.05855   0.05890
     Eigenvalues ---    0.05984   0.06021   0.06140   0.06247   0.06346
     Eigenvalues ---    0.06506   0.06748   0.06886   0.07089   0.07166
     Eigenvalues ---    0.07532   0.08265   0.08503   0.08622   0.08774
     Eigenvalues ---    0.09354   0.09625   0.09904   0.10344   0.11515
     Eigenvalues ---    0.12092   0.12907   0.13129   0.13276   0.13436
     Eigenvalues ---    0.13824   0.14054   0.14520   0.15506   0.15607
     Eigenvalues ---    0.15717   0.15860   0.15926   0.15960   0.15969
     Eigenvalues ---    0.15985   0.15986   0.15996   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16005   0.16017   0.16022
     Eigenvalues ---    0.16049   0.16085   0.16102   0.16114   0.16172
     Eigenvalues ---    0.16286   0.16512   0.16850   0.16854   0.17395
     Eigenvalues ---    0.17901   0.17968   0.18283   0.18922   0.19161
     Eigenvalues ---    0.19621   0.19977   0.20624   0.21078   0.21826
     Eigenvalues ---    0.21883   0.22000   0.22001   0.22003   0.22094
     Eigenvalues ---    0.22213   0.22397   0.22817   0.23053   0.23316
     Eigenvalues ---    0.23504   0.23513   0.23708   0.24032   0.24322
     Eigenvalues ---    0.24382   0.24601   0.24667   0.24991   0.25100
     Eigenvalues ---    0.25237   0.25344   0.25662   0.26148   0.27559
     Eigenvalues ---    0.28108   0.29402   0.29793   0.29932   0.30107
     Eigenvalues ---    0.30132   0.30318   0.30474   0.30598   0.30667
     Eigenvalues ---    0.30817   0.31120   0.31359   0.31428   0.31442
     Eigenvalues ---    0.31502   0.31524   0.31667   0.31869   0.31933
     Eigenvalues ---    0.31988   0.32114   0.32365   0.32420   0.32509
     Eigenvalues ---    0.32621   0.32713   0.32769   0.32876   0.32921
     Eigenvalues ---    0.33037   0.33051   0.33061   0.33153   0.33205
     Eigenvalues ---    0.33244   0.33466   0.33542   0.33668   0.33676
     Eigenvalues ---    0.33751   0.33889   0.33965   0.33985   0.34051
     Eigenvalues ---    0.34185   0.34230   0.34278   0.34327   0.34478
     Eigenvalues ---    0.34488   0.34558   0.34677   0.34770   0.35205
     Eigenvalues ---    0.35835   0.36247   0.36315   0.36378   0.36624
     Eigenvalues ---    0.36723   0.36853   0.36971   0.37256   0.37833
     Eigenvalues ---    0.38271   0.38509   0.39290   0.39904   0.40628
     Eigenvalues ---    0.40969   0.41805   0.42496   0.42819   0.43105
     Eigenvalues ---    0.43362   0.44117   0.44402   0.44854   0.45398
     Eigenvalues ---    0.46404   0.47544   0.47852   0.48350   0.48475
     Eigenvalues ---    0.48621   0.48989   0.49283   0.49487   0.50352
     Eigenvalues ---    0.50961   0.51166   0.51328   0.51704   0.56088
     Eigenvalues ---    0.56626   0.58833   0.59889   0.62459   0.62497
     Eigenvalues ---    0.64569   0.67760   0.77744   0.78992   0.85378
     Eigenvalues ---    1.41341   1.90275   4.181741000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    88   87   86   85   84
 RFO step:  Lambda=-1.28059918D-08.
 DIIS coeffs:      1.24199      0.11769     -0.67149      0.21659      0.09522
 Iteration  1 RMS(Cart)=  0.00037564 RMS(Int)=  0.00000008
 Iteration  2 RMS(Cart)=  0.00000041 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89472   0.00000   0.00000   0.00000   0.00000   2.89471
    R2        2.07188   0.00000   0.00000   0.00000   0.00000   2.07188
    R3        2.07392   0.00000   0.00000   0.00000   0.00000   2.07392
    R4        2.07187   0.00000   0.00000   0.00000   0.00000   2.07187
    R5        2.89442   0.00000   0.00000   0.00000   0.00000   2.89442
    R6        2.82779   0.00000   0.00000   0.00000   0.00000   2.82779
    R7        2.13128   0.00000   0.00000   0.00000   0.00000   2.13128
    R8        2.07205   0.00000   0.00000   0.00000   0.00000   2.07205
    R9        2.07350   0.00000   0.00000   0.00000   0.00000   2.07350
   R10        2.07202   0.00000   0.00000   0.00000   0.00000   2.07202
   R11        2.47779  -0.00001  -0.00001   0.00000  -0.00001   2.47778
   R12        3.37404   0.00001   0.00002   0.00002   0.00003   3.37407
   R13        2.68312   0.00000   0.00001   0.00000   0.00001   2.68313
   R14        2.84022   0.00000  -0.00001   0.00002   0.00001   2.84022
   R15        2.58076   0.00000  -0.00001   0.00000  -0.00001   2.58075
   R16        2.80646   0.00000  -0.00001   0.00001   0.00000   2.80646
   R17        2.11727   0.00000   0.00002   0.00000   0.00002   2.11729
   R18        2.11772   0.00000   0.00001   0.00001   0.00001   2.11774
   R19        2.81468   0.00000   0.00001   0.00000   0.00001   2.81470
   R20        2.68087   0.00002   0.00005   0.00003   0.00008   2.68095
   R21        2.08306   0.00000   0.00000   0.00000   0.00000   2.08306
   R22        2.09170   0.00000   0.00000   0.00000   0.00000   2.09169
   R23        2.08319   0.00000  -0.00001   0.00000  -0.00001   2.08318
   R24        2.31802   0.00000   0.00001  -0.00001   0.00000   2.31801
   R25        2.69765  -0.00002  -0.00006  -0.00001  -0.00008   2.69758
   R26        2.79850   0.00000  -0.00001  -0.00001  -0.00002   2.79848
   R27        1.94712   0.00000  -0.00004   0.00001  -0.00003   1.94709
   R28        2.91647   0.00001   0.00001   0.00000   0.00001   2.91647
   R29        2.94214   0.00000   0.00003  -0.00001   0.00002   2.94215
   R30        2.13612   0.00000   0.00002  -0.00001   0.00001   2.13612
   R31        2.31741  -0.00001  -0.00001   0.00000  -0.00001   2.31740
   R32        2.62764   0.00000   0.00001   0.00000   0.00001   2.62765
   R33        2.81412   0.00000  -0.00001   0.00000  -0.00001   2.81412
   R34        1.92362   0.00000   0.00000   0.00001   0.00001   1.92363
   R35        2.91897   0.00001   0.00002   0.00002   0.00005   2.91902
   R36        2.91638   0.00000  -0.00002   0.00001  -0.00001   2.91637
   R37        2.13559   0.00000   0.00000   0.00000   0.00000   2.13559
   R38        2.84139   0.00000  -0.00001   0.00001   0.00000   2.84140
   R39        2.10398   0.00000   0.00000   0.00000   0.00000   2.10398
   R40        2.09812   0.00000   0.00000   0.00000   0.00000   2.09812
   R41        2.65345   0.00000   0.00000   0.00000   0.00000   2.65345
   R42        2.65219   0.00000   0.00001   0.00000   0.00001   2.65220
   R43        2.64038   0.00000   0.00000   0.00000   0.00001   2.64039
   R44        2.05982   0.00000   0.00000   0.00000   0.00000   2.05982
   R45        2.64255   0.00000   0.00000  -0.00001  -0.00001   2.64254
   R46        2.05901   0.00000   0.00000   0.00000   0.00000   2.05901
   R47        2.64267   0.00000   0.00000   0.00000   0.00001   2.64267
   R48        2.05618   0.00000   0.00000   0.00000   0.00000   2.05618
   R49        2.64077   0.00000   0.00000   0.00000  -0.00001   2.64077
   R50        2.05851   0.00000   0.00000   0.00000   0.00000   2.05851
   R51        2.05568   0.00000   0.00000   0.00000   0.00000   2.05568
   R52        2.89611   0.00000  -0.00001   0.00000  -0.00001   2.89609
   R53        2.09827   0.00000   0.00000  -0.00001   0.00000   2.09827
   R54        2.09558   0.00001   0.00002   0.00000   0.00002   2.09560
   R55        2.72864  -0.00001   0.00001  -0.00001  -0.00001   2.72863
   R56        2.94332   0.00000   0.00003  -0.00001   0.00002   2.94334
   R57        2.11869   0.00000  -0.00001   0.00000  -0.00001   2.11868
   R58        1.87915  -0.00002  -0.00002  -0.00002  -0.00004   1.87911
   R59        2.90518  -0.00001   0.00000  -0.00002  -0.00002   2.90516
   R60        2.82872   0.00000  -0.00001   0.00000  -0.00001   2.82871
   R61        2.12620   0.00000  -0.00001   0.00000  -0.00001   2.12619
   R62        2.84158   0.00000  -0.00001   0.00000   0.00000   2.84158
   R63        2.11290   0.00000   0.00000   0.00000   0.00001   2.11291
   R64        2.09977   0.00000   0.00000  -0.00001   0.00000   2.09977
   R65        2.65204   0.00000   0.00000   0.00000   0.00000   2.65203
   R66        2.65131   0.00000   0.00000  -0.00001   0.00000   2.65131
   R67        2.63925   0.00000   0.00000   0.00000   0.00000   2.63925
   R68        2.06256   0.00000   0.00001   0.00001   0.00001   2.06257
   R69        2.64388   0.00000   0.00000   0.00000   0.00000   2.64388
   R70        2.05744   0.00000   0.00000   0.00000   0.00000   2.05744
   R71        2.64221   0.00000   0.00000   0.00000   0.00000   2.64221
   R72        2.05503   0.00000   0.00000   0.00000   0.00000   2.05502
   R73        2.64146   0.00000   0.00000   0.00000   0.00000   2.64146
   R74        2.05678   0.00000   0.00000   0.00000   0.00000   2.05678
   R75        2.05364   0.00000   0.00000   0.00000   0.00000   2.05364
   R76        2.63839   0.00000  -0.00001   0.00000  -0.00001   2.63838
   R77        1.94773   0.00001  -0.00003   0.00002  -0.00001   1.94773
   R78        2.30820   0.00000   0.00002   0.00000   0.00002   2.30822
   R79        2.62459   0.00001  -0.00001   0.00002   0.00001   2.62460
   R80        2.76607  -0.00001   0.00000   0.00000   0.00000   2.76607
   R81        2.78903  -0.00001  -0.00001   0.00000  -0.00001   2.78901
   R82        2.09576   0.00001   0.00004  -0.00001   0.00003   2.09580
   R83        2.09595   0.00000  -0.00001   0.00001   0.00000   2.09595
   R84        2.58634  -0.00001  -0.00001  -0.00001  -0.00003   2.58631
   R85        3.30532   0.00002   0.00007   0.00001   0.00008   3.30540
   R86        2.66448   0.00001   0.00000   0.00001   0.00001   2.66449
   R87        2.04943   0.00000   0.00002   0.00000   0.00002   2.04945
   R88        2.49653   0.00000   0.00000  -0.00001  -0.00001   2.49652
   R89        3.32353   0.00000   0.00001  -0.00001   0.00001   3.32353
   R90        2.05286   0.00000  -0.00001   0.00000   0.00000   2.05285
   R91        2.88726   0.00001  -0.00002   0.00002   0.00000   2.88726
   R92        2.89452   0.00000   0.00001  -0.00001   0.00001   2.89452
   R93        2.12266   0.00000  -0.00001   0.00000  -0.00001   2.12265
   R94        2.07572   0.00000   0.00000   0.00001   0.00000   2.07572
   R95        2.07815  -0.00001   0.00000  -0.00001  -0.00001   2.07814
   R96        2.07166   0.00000   0.00000   0.00000   0.00000   2.07166
   R97        2.07605   0.00000   0.00000   0.00000   0.00000   2.07605
   R98        2.08323   0.00000   0.00001   0.00000   0.00002   2.08325
   R99        2.07006   0.00000   0.00000   0.00000  -0.00001   2.07006
   R100       3.28037   0.00000   0.00002   0.00000   0.00002   3.28039
   R101       2.03800   0.00000  -0.00001   0.00000  -0.00001   2.03798
    A1        1.93486   0.00000   0.00000   0.00000   0.00000   1.93486
    A2        1.94433   0.00000   0.00000   0.00000   0.00000   1.94433
    A3        1.96106   0.00000   0.00000   0.00000   0.00000   1.96106
    A4        1.87402   0.00000  -0.00001   0.00000  -0.00001   1.87401
    A5        1.87031   0.00000   0.00000   0.00000   0.00000   1.87031
    A6        1.87511   0.00000   0.00000   0.00000   0.00000   1.87511
    A7        1.95152   0.00000   0.00000   0.00000   0.00000   1.95152
    A8        1.92531   0.00000   0.00000   0.00001   0.00000   1.92531
    A9        1.88883   0.00000   0.00000   0.00000   0.00000   1.88883
   A10        1.92750   0.00000   0.00001   0.00000   0.00000   1.92750
   A11        1.88934   0.00000   0.00000   0.00000   0.00000   1.88933
   A12        1.87910   0.00000  -0.00001   0.00000   0.00000   1.87910
   A13        1.96118   0.00000   0.00000   0.00000   0.00000   1.96118
   A14        1.94530   0.00000   0.00000   0.00000   0.00000   1.94530
   A15        1.93463   0.00000   0.00000   0.00000   0.00000   1.93463
   A16        1.87495   0.00000   0.00000   0.00000   0.00000   1.87496
   A17        1.86953   0.00000   0.00000   0.00000   0.00000   1.86953
   A18        1.87403   0.00000   0.00000   0.00000   0.00000   1.87403
   A19        2.20977   0.00001   0.00001   0.00001   0.00003   2.20980
   A20        2.11700   0.00000  -0.00001  -0.00001  -0.00002   2.11698
   A21        1.95642   0.00000   0.00000  -0.00001  -0.00001   1.95641
   A22        1.96138   0.00000   0.00001   0.00001   0.00001   1.96139
   A23        2.05098   0.00000  -0.00003   0.00001  -0.00002   2.05096
   A24        2.01110   0.00000   0.00000   0.00000   0.00000   2.01109
   A25        2.22109   0.00000   0.00003  -0.00001   0.00002   2.22111
   A26        1.97903   0.00000   0.00004  -0.00001   0.00003   1.97906
   A27        1.92177   0.00000  -0.00001   0.00001   0.00000   1.92177
   A28        1.92168   0.00000  -0.00003   0.00001  -0.00001   1.92166
   A29        1.92171   0.00000   0.00001  -0.00002   0.00000   1.92170
   A30        1.87954   0.00000  -0.00001   0.00000  -0.00001   1.87953
   A31        1.83411   0.00000  -0.00001   0.00000  -0.00001   1.83410
   A32        1.98760   0.00000  -0.00001  -0.00002  -0.00003   1.98757
   A33        2.11607   0.00000  -0.00003  -0.00004  -0.00007   2.11600
   A34        2.00985   0.00000  -0.00005  -0.00005  -0.00010   2.00975
   A35        1.89534   0.00000   0.00000   0.00002   0.00002   1.89535
   A36        1.92462   0.00000  -0.00001  -0.00005  -0.00006   1.92456
   A37        1.96588   0.00000   0.00001   0.00002   0.00003   1.96591
   A38        1.88981   0.00000  -0.00001   0.00001   0.00000   1.88981
   A39        1.89809   0.00000   0.00000   0.00000   0.00000   1.89809
   A40        1.88857   0.00000   0.00000   0.00001   0.00001   1.88858
   A41        2.12910   0.00000  -0.00001   0.00000  -0.00002   2.12908
   A42        2.05222   0.00000   0.00000   0.00000   0.00000   2.05222
   A43        2.10114   0.00000   0.00001   0.00000   0.00002   2.10116
   A44        2.02322   0.00000   0.00007  -0.00001   0.00006   2.02328
   A45        2.06451   0.00000   0.00008   0.00000   0.00008   2.06459
   A46        1.98860   0.00000   0.00004  -0.00001   0.00003   1.98864
   A47        1.92453  -0.00001  -0.00002  -0.00002  -0.00004   1.92449
   A48        1.90368   0.00000   0.00003   0.00000   0.00003   1.90371
   A49        1.87249   0.00000   0.00003   0.00000   0.00003   1.87252
   A50        1.94508   0.00001  -0.00001   0.00001   0.00000   1.94508
   A51        1.91266   0.00000   0.00001   0.00001   0.00001   1.91267
   A52        1.90384   0.00000  -0.00003   0.00000  -0.00003   1.90381
   A53        2.15475   0.00001   0.00004   0.00000   0.00004   2.15479
   A54        2.01696  -0.00001  -0.00003   0.00000  -0.00004   2.01692
   A55        2.11118   0.00000   0.00000   0.00000   0.00000   2.11118
   A56        2.12018   0.00001   0.00002   0.00000   0.00002   2.12021
   A57        2.12522   0.00000   0.00000  -0.00001  -0.00001   2.12521
   A58        2.03726   0.00000  -0.00001   0.00001  -0.00001   2.03725
   A59        1.92029   0.00000  -0.00002   0.00002   0.00000   1.92029
   A60        1.92179   0.00002   0.00008   0.00001   0.00009   1.92188
   A61        1.87828   0.00000  -0.00003  -0.00001  -0.00003   1.87825
   A62        1.96058  -0.00001  -0.00002   0.00001  -0.00001   1.96057
   A63        1.88502   0.00000   0.00000  -0.00001  -0.00002   1.88500
   A64        1.89551   0.00000  -0.00001  -0.00002  -0.00003   1.89548
   A65        1.99660   0.00001   0.00001   0.00002   0.00003   1.99663
   A66        1.89511   0.00000   0.00000   0.00000   0.00000   1.89511
   A67        1.89931   0.00000  -0.00001  -0.00001  -0.00002   1.89929
   A68        1.91809   0.00000   0.00000   0.00001   0.00001   1.91809
   A69        1.92267   0.00000   0.00001  -0.00002  -0.00001   1.92266
   A70        1.82388   0.00000   0.00000  -0.00001  -0.00001   1.82388
   A71        2.09423   0.00000   0.00001   0.00000   0.00001   2.09424
   A72        2.10352   0.00000   0.00000   0.00000   0.00000   2.10351
   A73        2.08541   0.00000   0.00000   0.00000  -0.00001   2.08540
   A74        2.09685   0.00000   0.00000   0.00000   0.00000   2.09685
   A75        2.09731   0.00000   0.00000   0.00000   0.00001   2.09732
   A76        2.08890   0.00000  -0.00001   0.00000  -0.00001   2.08889
   A77        2.09866   0.00000   0.00000   0.00000   0.00000   2.09866
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   A79        2.09393   0.00000   0.00000   0.00000   0.00000   2.09393
   A80        2.08981   0.00000   0.00000   0.00000   0.00000   2.08981
   A81        2.09675   0.00000   0.00000   0.00000   0.00000   2.09675
   A82        2.09661   0.00000   0.00000   0.00000   0.00000   2.09661
   A83        2.09917   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09290   0.00000   0.00000   0.00000   0.00000   2.09290
   A85        2.09111   0.00000   0.00000   0.00000   0.00000   2.09112
   A86        2.09642   0.00000   0.00000   0.00000   0.00000   2.09642
   A87        2.09750   0.00000   0.00000   0.00000   0.00000   2.09749
   A88        2.08924   0.00000   0.00000   0.00000   0.00000   2.08925
   A89        1.94438   0.00001   0.00002   0.00002   0.00004   1.94442
   A90        1.93466   0.00000   0.00003   0.00000   0.00003   1.93469
   A91        1.90606  -0.00001  -0.00003   0.00000  -0.00003   1.90603
   A92        1.90668   0.00000   0.00000  -0.00001  -0.00001   1.90667
   A93        1.93550   0.00000   0.00000  -0.00001  -0.00001   1.93549
   A94        1.83365   0.00000  -0.00003  -0.00001  -0.00004   1.83361
   A95        1.90724   0.00000  -0.00003   0.00001  -0.00002   1.90722
   A96        2.01383   0.00001   0.00003  -0.00001   0.00002   2.01385
   A97        1.93729   0.00000   0.00002   0.00002   0.00005   1.93734
   A98        1.77631   0.00000  -0.00003  -0.00001  -0.00004   1.77627
   A99        1.89158   0.00000   0.00004   0.00001   0.00005   1.89163
   A100       1.92783  -0.00001  -0.00003  -0.00003  -0.00006   1.92777
   A101       1.92697   0.00000   0.00002   0.00000   0.00002   1.92698
   A102       1.95049  -0.00001  -0.00003  -0.00002  -0.00005   1.95044
   A103       1.88995   0.00000   0.00000  -0.00002  -0.00002   1.88993
   A104       1.90396   0.00000  -0.00001   0.00001   0.00001   1.90396
   A105       1.95217   0.00000  -0.00001   0.00004   0.00003   1.95220
   A106       1.91851   0.00000   0.00002   0.00000   0.00002   1.91854
   A107       1.84524   0.00000   0.00003  -0.00002   0.00001   1.84525
   A108       1.95008   0.00000   0.00000   0.00000   0.00000   1.95008
   A109       1.91924   0.00000  -0.00002   0.00001  -0.00001   1.91924
   A110       1.90983   0.00000   0.00000   0.00001   0.00001   1.90984
   A111       1.92273   0.00000  -0.00001  -0.00001  -0.00002   1.92272
   A112       1.92471   0.00000   0.00001   0.00000   0.00001   1.92472
   A113       1.83374   0.00000   0.00001   0.00000   0.00001   1.83375
   A114       2.09237   0.00000   0.00000  -0.00001  -0.00001   2.09236
   A115       2.10082   0.00000   0.00000   0.00001   0.00001   2.10083
   A116       2.08999   0.00000   0.00000   0.00000   0.00000   2.09000
   A117       2.09455   0.00000   0.00000   0.00000   0.00000   2.09455
   A118       2.08825   0.00000   0.00000  -0.00001  -0.00001   2.08824
   A119       2.10036   0.00000   0.00000   0.00001   0.00001   2.10037
   A120       2.09822   0.00000   0.00000   0.00000   0.00000   2.09821
   A121       2.09131   0.00000   0.00000   0.00000   0.00000   2.09132
   A122       2.09365   0.00000   0.00000   0.00000   0.00000   2.09365
   A123       2.09128   0.00000   0.00000   0.00000   0.00000   2.09128
   A124       2.09565   0.00000   0.00000   0.00000   0.00000   2.09564
   A125       2.09626   0.00000   0.00000   0.00000   0.00000   2.09626
   A126       2.09870   0.00000   0.00000   0.00000   0.00000   2.09870
   A127       2.09325   0.00000   0.00000   0.00000   0.00000   2.09325
   A128       2.09124   0.00000   0.00000   0.00000   0.00000   2.09123
   A129       2.09363   0.00000   0.00000   0.00000   0.00000   2.09363
   A130       2.09889   0.00000   0.00000   0.00000   0.00000   2.09889
   A131       2.09066   0.00000   0.00000   0.00000   0.00000   2.09066
   A132       2.06964  -0.00001   0.00004   0.00002   0.00005   2.06969
   A133       1.97396   0.00000   0.00005  -0.00003   0.00002   1.97398
   A134       2.02168   0.00000   0.00006  -0.00002   0.00004   2.02172
   A135       2.25024  -0.00001  -0.00005   0.00001  -0.00004   2.25020
   A136       1.90653   0.00002   0.00005   0.00000   0.00005   1.90658
   A137       2.12532  -0.00001   0.00000  -0.00001  -0.00002   2.12531
   A138       2.01987  -0.00004  -0.00001  -0.00003  -0.00004   2.01983
   A139       1.92607  -0.00002   0.00004  -0.00001   0.00003   1.92611
   A140       1.75694   0.00001  -0.00001   0.00002   0.00000   1.75695
   A141       1.88941   0.00000  -0.00004   0.00001  -0.00002   1.88939
   A142       1.98249   0.00000  -0.00003   0.00000  -0.00002   1.98247
   A143       1.96702   0.00000   0.00001  -0.00001   0.00000   1.96702
   A144       1.92886   0.00000   0.00002  -0.00001   0.00001   1.92887
   A145       2.27421   0.00002   0.00002   0.00002   0.00004   2.27425
   A146       2.09421  -0.00001   0.00001  -0.00002  -0.00001   2.09420
   A147       1.91461   0.00000  -0.00002   0.00000  -0.00002   1.91458
   A148       2.01221   0.00000   0.00003   0.00000   0.00003   2.01224
   A149       2.21911   0.00000  -0.00001   0.00000  -0.00001   2.21910
   A150       2.05183   0.00000  -0.00002   0.00000  -0.00002   2.05181
   A151       1.94612   0.00000  -0.00001   0.00000  -0.00001   1.94611
   A152       1.98188   0.00000   0.00001   0.00000   0.00001   1.98190
   A153       2.18166   0.00000   0.00000   0.00000   0.00000   2.18166
   A154       2.11894   0.00000  -0.00001  -0.00001  -0.00002   2.11892
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   A156       1.96623   0.00001   0.00002   0.00002   0.00004   1.96627
   A157       1.92527   0.00000  -0.00003  -0.00001  -0.00004   1.92523
   A158       1.85678   0.00000   0.00000   0.00000   0.00000   1.85678
   A159       1.93402   0.00000   0.00001  -0.00001   0.00000   1.93402
   A160       1.89059   0.00000  -0.00001   0.00000  -0.00001   1.89058
   A161       1.88736   0.00000   0.00000   0.00001   0.00000   1.88736
   A162       1.95499   0.00000   0.00000   0.00000   0.00000   1.95499
   A163       1.97009   0.00000   0.00003  -0.00001   0.00002   1.97011
   A164       1.94284  -0.00001   0.00002  -0.00003  -0.00001   1.94283
   A165       1.85522   0.00000  -0.00001   0.00001   0.00000   1.85522
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   A167       1.86784   0.00000  -0.00006   0.00004  -0.00003   1.86781
   A168       1.93057   0.00000   0.00000   0.00000   0.00000   1.93056
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   A177       1.57966   0.00000  -0.00001   0.00000  -0.00001   1.57965
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    D2       -3.04338   0.00000   0.00003  -0.00001   0.00003  -3.04335
    D3       -0.99176   0.00000   0.00003   0.00000   0.00003  -0.99174
    D4       -3.10978   0.00000   0.00002  -0.00001   0.00001  -3.10976
    D5       -0.95756   0.00000   0.00003  -0.00001   0.00002  -0.95754
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    D9       -3.08405   0.00000   0.00003   0.00000   0.00003  -3.08402
   D10        1.00113   0.00000   0.00006   0.00000   0.00006   1.00119
   D11        3.10678   0.00000   0.00006   0.00000   0.00006   3.10685
   D12       -1.09009   0.00000   0.00005   0.00000   0.00006  -1.09003
   D13       -1.14985   0.00000   0.00005   0.00000   0.00005  -1.14979
   D14        0.95581   0.00000   0.00006   0.00000   0.00006   0.95586
   D15        3.04212   0.00000   0.00005   0.00000   0.00005   3.04218
   D16        3.08018   0.00000   0.00006   0.00000   0.00006   3.08024
   D17       -1.09735   0.00000   0.00006   0.00000   0.00006  -1.09729
   D18        0.98897   0.00000   0.00006   0.00000   0.00006   0.98902
   D19        2.04318   0.00000  -0.00001   0.00010   0.00009   2.04327
   D20       -1.09901   0.00000   0.00005   0.00016   0.00021  -1.09879
   D21       -2.07387   0.00000  -0.00001   0.00010   0.00009  -2.07378
   D22        1.06713   0.00000   0.00006   0.00016   0.00021   1.06734
   D23       -0.01443   0.00000  -0.00001   0.00010   0.00009  -0.01434
   D24        3.12657   0.00000   0.00005   0.00016   0.00021   3.12678
   D25       -3.13744   0.00000   0.00002   0.00000   0.00002  -3.13742
   D26        0.00470   0.00000  -0.00004  -0.00006  -0.00009   0.00461
   D27        3.13864   0.00000  -0.00001   0.00002   0.00000   3.13864
   D28       -0.00347   0.00000   0.00004   0.00007   0.00011  -0.00336
   D29        3.13132   0.00000   0.00001   0.00001   0.00002   3.13134
   D30       -0.00396   0.00000   0.00001   0.00001   0.00002  -0.00394
   D31        1.91730   0.00000   0.00019  -0.00031  -0.00012   1.91718
   D32       -2.20407   0.00000   0.00023  -0.00033  -0.00010  -2.20417
   D33       -0.18969   0.00000   0.00019  -0.00031  -0.00012  -0.18980
   D34       -1.23148   0.00000   0.00019  -0.00030  -0.00011  -1.23158
   D35        0.93035   0.00000   0.00023  -0.00032  -0.00009   0.93025
   D36        2.94473   0.00000   0.00020  -0.00031  -0.00011   2.94462
   D37        0.00120   0.00000   0.00003   0.00004   0.00007   0.00127
   D38       -3.13118   0.00000  -0.00004  -0.00001  -0.00005  -3.13123
   D39       -3.13335   0.00000   0.00002   0.00004   0.00006  -3.13329
   D40        0.01745   0.00000  -0.00004  -0.00001  -0.00006   0.01739
   D41       -1.23881   0.00000   0.00010   0.00013   0.00024  -1.23857
   D42        1.28009   0.00000  -0.00007  -0.00005  -0.00012   1.27997
   D43        2.88252   0.00000   0.00008   0.00014   0.00022   2.88274
   D44       -0.88176   0.00000  -0.00010  -0.00004  -0.00014  -0.88191
   D45        0.89181   0.00000   0.00009   0.00015   0.00023   0.89204
   D46       -2.87247   0.00000  -0.00009  -0.00004  -0.00013  -2.87260
   D47       -1.19293   0.00000   0.00032   0.00059   0.00091  -1.19202
   D48        3.02220   0.00000   0.00034   0.00059   0.00093   3.02313
   D49        0.91050   0.00000   0.00034   0.00060   0.00094   0.91144
   D50        2.53211   0.00000   0.00048   0.00076   0.00124   2.53335
   D51        0.46405   0.00000   0.00050   0.00076   0.00126   0.46531
   D52       -1.64765   0.00000   0.00050   0.00077   0.00127  -1.64638
   D53       -2.77595   0.00000   0.00009   0.00006   0.00015  -2.77580
   D54        0.40649   0.00000   0.00010   0.00010   0.00020   0.40669
   D55       -0.26439   0.00000  -0.00007  -0.00012  -0.00019  -0.26459
   D56        2.91805   0.00000  -0.00007  -0.00008  -0.00015   2.91790
   D57        2.84263   0.00000   0.00006  -0.00004   0.00002   2.84265
   D58        0.38686   0.00000  -0.00024  -0.00001  -0.00025   0.38661
   D59       -0.25880   0.00000   0.00007   0.00000   0.00007  -0.25873
   D60       -2.71457   0.00000  -0.00023   0.00003  -0.00020  -2.71478
   D61       -1.42539   0.00000  -0.00035  -0.00007  -0.00042  -1.42581
   D62        2.71650   0.00000  -0.00035  -0.00007  -0.00041   2.71609
   D63        0.65656   0.00000  -0.00034  -0.00007  -0.00041   0.65616
   D64        1.05994   0.00000  -0.00005  -0.00009  -0.00014   1.05980
   D65       -1.08135   0.00000  -0.00004  -0.00009  -0.00013  -1.08149
   D66       -3.14129   0.00000  -0.00004  -0.00009  -0.00013  -3.14142
   D67       -0.54521   0.00000  -0.00019   0.00003  -0.00016  -0.54537
   D68        2.62229  -0.00001  -0.00023   0.00002  -0.00020   2.62209
   D69        1.57161   0.00000  -0.00017   0.00003  -0.00014   1.57147
   D70       -1.54407   0.00000  -0.00021   0.00002  -0.00019  -1.54426
   D71       -2.60258   0.00000  -0.00021   0.00004  -0.00018  -2.60276
   D72        0.56492   0.00000  -0.00025   0.00003  -0.00022   0.56470
   D73        1.23601   0.00000  -0.00001  -0.00003  -0.00004   1.23596
   D74       -2.87593   0.00000   0.00000  -0.00004  -0.00004  -2.87597
   D75       -0.83296   0.00000  -0.00001  -0.00004  -0.00006  -0.83302
   D76       -0.89292   0.00000   0.00001  -0.00002  -0.00001  -0.89293
   D77        1.27833   0.00000   0.00002  -0.00003  -0.00001   1.27832
   D78       -2.96189   0.00000   0.00000  -0.00003  -0.00003  -2.96191
   D79       -3.00706   0.00000   0.00003  -0.00003  -0.00001  -3.00707
   D80       -0.83581   0.00000   0.00004  -0.00004   0.00000  -0.83582
   D81        1.20715   0.00000   0.00002  -0.00004  -0.00002   1.20714
   D82        3.14085   0.00001   0.00002  -0.00003  -0.00001   3.14084
   D83       -0.03667   0.00000   0.00021  -0.00003   0.00018  -0.03650
   D84        0.02447   0.00000  -0.00002  -0.00004  -0.00005   0.02442
   D85        3.13013   0.00000   0.00017  -0.00004   0.00013   3.13026
   D86        2.39464   0.00000   0.00023   0.00000   0.00023   2.39487
   D87       -1.71835   0.00000   0.00024   0.00003   0.00027  -1.71808
   D88        0.34485   0.00000   0.00026   0.00001   0.00027   0.34512
   D89       -0.71274   0.00000   0.00005   0.00000   0.00005  -0.71269
   D90        1.45745   0.00000   0.00007   0.00003   0.00010   1.45754
   D91       -2.76254   0.00000   0.00008   0.00001   0.00009  -2.76244
   D92        1.03458   0.00001   0.00013   0.00003   0.00016   1.03474
   D93       -1.11470   0.00001   0.00012   0.00001   0.00013  -1.11456
   D94       -3.09013   0.00001   0.00014   0.00002   0.00015  -3.08997
   D95       -1.11302  -0.00001   0.00005   0.00000   0.00006  -1.11296
   D96        3.02089  -0.00001   0.00005  -0.00002   0.00003   3.02092
   D97        1.04546  -0.00001   0.00006  -0.00001   0.00005   1.04551
   D98        3.08018   0.00000   0.00008   0.00002   0.00011   3.08029
   D99        0.93090   0.00000   0.00008   0.00000   0.00008   0.93099
   D100      -1.04453   0.00000   0.00009   0.00001   0.00010  -1.04443
   D101       1.12470   0.00000  -0.00013  -0.00003  -0.00015   1.12455
   D102      -1.00246   0.00000  -0.00017  -0.00003  -0.00020  -1.00266
   D103      -3.01456   0.00000  -0.00013  -0.00002  -0.00016  -3.01471
   D104      -3.01173   0.00000  -0.00011   0.00001  -0.00010  -3.01183
   D105       1.14430   0.00000  -0.00015   0.00001  -0.00014   1.14415
   D106      -0.86780   0.00000  -0.00012   0.00001  -0.00010  -0.86790
   D107      -0.92786   0.00000  -0.00013  -0.00001  -0.00015  -0.92800
   D108      -3.05502   0.00000  -0.00017  -0.00002  -0.00019  -3.05521
   D109       1.21607   0.00000  -0.00014  -0.00001  -0.00015   1.21592
   D110      -1.63813   0.00000   0.00005  -0.00008  -0.00003  -1.63816
   D111       1.51170   0.00000   0.00006  -0.00006   0.00000   1.51170
   D112       0.49870   0.00000   0.00005  -0.00006   0.00000   0.49869
   D113      -2.63466   0.00000   0.00006  -0.00004   0.00002  -2.63464
   D114       2.49916   0.00000   0.00006  -0.00007  -0.00001   2.49915
   D115      -0.63419   0.00000   0.00006  -0.00005   0.00001  -0.63418
   D116       3.13974   0.00000  -0.00001   0.00001   0.00000   3.13974
   D117      -0.01851   0.00000  -0.00002   0.00000  -0.00002  -0.01853
   D118      -0.01001   0.00000  -0.00001  -0.00001  -0.00002  -0.01003
   D119       3.11493   0.00000  -0.00002  -0.00002  -0.00004   3.11489
   D120      -3.13918   0.00000   0.00000   0.00000   0.00000  -3.13918
   D121       0.00996   0.00000   0.00000   0.00000   0.00000   0.00996
   D122       0.01061   0.00000   0.00001   0.00001   0.00002   0.01063
   D123      -3.12343   0.00000   0.00000   0.00002   0.00002  -3.12341
   D124       0.00169   0.00000   0.00001   0.00000   0.00001   0.00171
   D125       3.13802   0.00000   0.00002   0.00000   0.00001   3.13803
   D126      -3.12332   0.00000   0.00002   0.00001   0.00003  -3.12329
   D127       0.01300   0.00000   0.00003   0.00000   0.00003   0.01303
   D128       0.00607   0.00000   0.00000   0.00001   0.00000   0.00607
   D129       3.14130   0.00000   0.00000   0.00000  -0.00001   3.14129
   D130      -3.13025   0.00000  -0.00001   0.00001   0.00000  -3.13024
   D131       0.00499   0.00000  -0.00001   0.00000  -0.00001   0.00498
   D132      -0.00546   0.00000  -0.00001   0.00000  -0.00001  -0.00547
   D133       3.13310   0.00000  -0.00001  -0.00001  -0.00001   3.13309
   D134      -3.14069   0.00000  -0.00001   0.00001   0.00000  -3.14069
   D135      -0.00213   0.00000  -0.00001   0.00000   0.00000  -0.00214
   D136      -0.00291   0.00000   0.00000  -0.00001   0.00000  -0.00291
   D137       3.13117   0.00000   0.00001  -0.00001  -0.00001   3.13117
   D138      -3.14148   0.00000   0.00000   0.00000   0.00000  -3.14147
   D139      -0.00739   0.00000   0.00001  -0.00001   0.00000  -0.00739
   D140      -1.83857  -0.00001   0.00005  -0.00010  -0.00005  -1.83863
   D141       2.45657   0.00000   0.00009  -0.00009   0.00000   2.45657
   D142       0.24666   0.00000   0.00009  -0.00007   0.00002   0.24668
   D143       0.30471   0.00000   0.00010  -0.00009   0.00001   0.30472
   D144      -1.68332   0.00000   0.00015  -0.00008   0.00006  -1.68326
   D145       2.38994   0.00000   0.00014  -0.00006   0.00009   2.39003
   D146       2.31765   0.00000   0.00007  -0.00011  -0.00004   2.31761
   D147       0.32961   0.00000   0.00011  -0.00010   0.00001   0.32962
   D148      -1.88030   0.00000   0.00011  -0.00007   0.00003  -1.88027
   D149       1.18345   0.00000   0.00004  -0.00004   0.00000   1.18345
   D150      -2.96228   0.00000   0.00004  -0.00005  -0.00001  -2.96229
   D151      -0.92980   0.00000   0.00001  -0.00008  -0.00007  -0.92988
   D152      -0.95847   0.00000  -0.00002  -0.00001  -0.00003  -0.95849
   D153      -3.11632   0.00000   0.00001  -0.00004  -0.00002  -3.11634
   D154       1.16660   0.00000  -0.00001  -0.00001  -0.00002   1.16658
   D155      -3.02102   0.00000   0.00003  -0.00001   0.00001  -3.02101
   D156       1.10431   0.00000   0.00006  -0.00004   0.00002   1.10433
   D157      -0.89595   0.00000   0.00003  -0.00002   0.00002  -0.89593
   D158       1.25625   0.00000   0.00001  -0.00001   0.00000   1.25625
   D159      -0.90161   0.00000   0.00004  -0.00004   0.00001  -0.90160
   D160      -2.90187   0.00000   0.00002  -0.00001   0.00001  -2.90186
   D161       3.00711   0.00000   0.00013  -0.00003   0.00011   3.00722
   D162      -1.13530   0.00000   0.00011  -0.00003   0.00008  -1.13523
   D163       0.87041   0.00000   0.00012  -0.00002   0.00009   0.87051
   D164      -1.15375   0.00000   0.00011  -0.00004   0.00007  -1.15368
   D165       0.98702   0.00000   0.00009  -0.00004   0.00004   0.98707
   D166       2.99274   0.00000   0.00009  -0.00003   0.00006   2.99280
   D167       0.89045   0.00000   0.00015  -0.00003   0.00012   0.89056
   D168       3.03122   0.00000   0.00012  -0.00004   0.00009   3.03130
   D169      -1.24625   0.00000   0.00013  -0.00003   0.00010  -1.24615
   D170       1.13498   0.00000  -0.00003   0.00020   0.00017   1.13514
   D171      -1.31758   0.00000  -0.00027   0.00026   0.00000  -1.31759
   D172      -1.02186   0.00000   0.00000   0.00021   0.00022  -1.02165
   D173       2.80876   0.00000  -0.00023   0.00028   0.00005   2.80881
   D174      -3.10969   0.00000  -0.00003   0.00020   0.00017  -3.10953
   D175       0.72093   0.00000  -0.00026   0.00026   0.00000   0.72093
   D176       1.68993   0.00000   0.00005   0.00006   0.00011   1.69004
   D177      -1.45545   0.00000   0.00006   0.00006   0.00012  -1.45533
   D178      -0.44885   0.00000   0.00008   0.00005   0.00013  -0.44871
   D179       2.68896   0.00000   0.00009   0.00005   0.00014   2.68910
   D180      -2.46510   0.00000   0.00007   0.00006   0.00013  -2.46497
   D181       0.67271   0.00000   0.00008   0.00006   0.00014   0.67285
   D182       3.13456   0.00000   0.00002  -0.00001   0.00002   3.13458
   D183      -0.01480   0.00000   0.00002  -0.00001   0.00001  -0.01478
   D184      -0.00327   0.00000   0.00001   0.00000   0.00001  -0.00327
   D185       3.13056   0.00000   0.00001  -0.00001   0.00000   3.13056
   D186      -3.13448   0.00000  -0.00002   0.00000  -0.00001  -3.13449
   D187       0.00794   0.00000  -0.00002   0.00000  -0.00002   0.00792
   D188       0.00334   0.00000  -0.00001   0.00000  -0.00001   0.00333
   D189      -3.13743   0.00000  -0.00001   0.00000  -0.00001  -3.13745
   D190       0.00059   0.00000  -0.00001   0.00000   0.00000   0.00059
   D191       3.14098   0.00000  -0.00001   0.00001   0.00000   3.14098
   D192      -3.13318   0.00000   0.00000   0.00001   0.00000  -3.13318
   D193       0.00721   0.00000  -0.00001   0.00001   0.00000   0.00721
   D194       0.00203   0.00000   0.00000   0.00000   0.00000   0.00202
   D195      -3.14072   0.00000  -0.00001   0.00000  -0.00001  -3.14072
   D196      -3.13836   0.00000   0.00000   0.00000   0.00000  -3.13836
   D197       0.00208   0.00000   0.00000   0.00000  -0.00001   0.00208
   D198      -0.00196   0.00000   0.00001   0.00000   0.00000  -0.00195
   D199       3.13942   0.00000   0.00001   0.00000   0.00001   3.13943
   D200       3.14078   0.00000   0.00001   0.00000   0.00001   3.14079
   D201      -0.00102   0.00000   0.00001   0.00000   0.00001  -0.00101
   D202      -0.00073   0.00000   0.00000   0.00000   0.00000  -0.00073
   D203       3.14005   0.00000   0.00000   0.00000   0.00001   3.14006
   D204       3.14108   0.00000   0.00000   0.00000   0.00000   3.14108
   D205      -0.00133   0.00000   0.00000   0.00000   0.00001  -0.00133
   D206       0.56593   0.00000  -0.00017  -0.00002  -0.00019   0.56575
   D207      -2.62594   0.00000  -0.00022  -0.00002  -0.00023  -2.62618
   D208       3.00027   0.00000   0.00007  -0.00009  -0.00002   3.00025
   D209      -0.19161   0.00000   0.00002  -0.00008  -0.00007  -0.19167
   D210       3.10136  -0.00001  -0.00009  -0.00008  -0.00017   3.10119
   D211      -0.08624  -0.00001  -0.00014  -0.00008  -0.00021  -0.08645
   D212      -1.14967   0.00001   0.00021  -0.00002   0.00019  -1.14948
   D213       3.03428   0.00000   0.00023  -0.00003   0.00020   3.03448
   D214       1.01051   0.00000   0.00023  -0.00003   0.00020   1.01070
   D215      -2.05195   0.00000  -0.00013   0.00004  -0.00008  -2.05203
   D216       1.06862  -0.00001  -0.00002   0.00000  -0.00002   1.06860
   D217      -0.09416   0.00000  -0.00013   0.00006  -0.00007  -0.09424
   D218       3.02641   0.00000  -0.00002   0.00002  -0.00001   3.02640
   D219       2.11664   0.00000  -0.00012   0.00004  -0.00008   2.11656
   D220      -1.04598   0.00000  -0.00001   0.00000  -0.00001  -1.04599
   D221       3.13775   0.00000   0.00009   0.00000   0.00008   3.13783
   D222      -0.01291   0.00000   0.00010   0.00003   0.00013  -0.01278
   D223       0.01549   0.00000  -0.00001   0.00004   0.00002   0.01551
   D224      -3.13516   0.00000   0.00000   0.00006   0.00007  -3.13510
   D225       3.13865   0.00000  -0.00006   0.00001  -0.00005   3.13860
   D226      -0.01996   0.00000   0.00002  -0.00002   0.00000  -0.01996
   D227       0.00036   0.00000  -0.00001  -0.00003  -0.00004   0.00032
   D228      -3.13308   0.00000  -0.00002  -0.00006  -0.00008  -3.13316
   D229      -0.01638   0.00000   0.00002   0.00001   0.00004  -0.01634
   D230      -3.11791   0.00000   0.00002   0.00003   0.00005  -3.11786
   D231       0.02137   0.00000  -0.00003   0.00000  -0.00002   0.02135
   D232       3.12451   0.00000  -0.00002  -0.00001  -0.00003   3.12448
   D233      -0.98870   0.00000  -0.00003   0.00003   0.00001  -0.98869
   D234       1.10466   0.00000  -0.00002   0.00004   0.00001   1.10468
   D235      -3.07757   0.00000  -0.00007   0.00006  -0.00002  -3.07759
   D236       3.12806   0.00000  -0.00002   0.00004   0.00002   3.12808
   D237      -1.06177   0.00000  -0.00002   0.00005   0.00003  -1.06173
   D238       1.03919   0.00000  -0.00006   0.00007   0.00000   1.03919
   D239       1.06038   0.00000  -0.00002   0.00004   0.00003   1.06040
   D240      -3.12945   0.00000  -0.00001   0.00005   0.00004  -3.12941
   D241      -1.02849   0.00000  -0.00006   0.00007   0.00001  -1.02849
   D242       2.96041   0.00000  -0.00005   0.00001  -0.00004   2.96037
   D243      -1.24932   0.00000  -0.00005   0.00002  -0.00004  -1.24935
   D244       0.87965   0.00000  -0.00005   0.00000  -0.00005   0.87960
   D245      -1.13314   0.00000  -0.00003   0.00001  -0.00002  -1.13316
   D246       0.94031   0.00000  -0.00004   0.00002  -0.00001   0.94030
   D247       3.06928   0.00000  -0.00003   0.00000  -0.00003   3.06926
   D248       0.93650   0.00000  -0.00004   0.00001  -0.00003   0.93647
   D249       3.00995   0.00000  -0.00004   0.00002  -0.00002   3.00993
   D250      -1.14427   0.00000  -0.00003   0.00000  -0.00003  -1.14430
   D251       0.00117   0.00000  -0.00004  -0.00006  -0.00010   0.00107
   D252       3.13423   0.00000   0.00002  -0.00001   0.00001   3.13424
         Item               Value     Threshold  Converged?
 Maximum Force            0.000038     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.002829     0.001800     NO 
 RMS     Displacement     0.000376     0.001200     YES
 Predicted change in Energy=-2.246438D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.772036   -2.053184    0.950192
      2          6           0       -9.316001   -1.007333   -0.071908
      3          6           0      -10.086323    0.308076    0.077381
      4          6           0       -7.844057   -0.767776    0.051458
      5          7           0       -6.934210   -1.002683   -0.862979
      6          6           0       -5.626434   -0.667998   -0.422878
      7          6           0       -4.490588   -0.904648   -1.378287
      8          7           0       -3.892620    0.348444   -1.905315
      9          6           0       -4.769023    1.078363   -2.863263
     10          6           0       -3.072353    1.171345   -1.091256
     11          8           0       -2.880159    2.355080   -1.349095
     12          7           0       -2.425999    0.561468    0.025892
     13          6           0       -1.294262    1.316620    0.610660
     14          6           0       -0.008926    1.072550   -0.208006
     15          8           0        0.228290    0.023717   -0.797520
     16          7           0        0.904870    2.120577   -0.216789
     17          6           0        2.189597    2.025857   -0.963863
     18          6           0        2.466517    3.349815   -1.709836
     19          6           0        2.558633    4.557335   -0.818642
     20          6           0        1.421879    5.349224   -0.589904
     21          6           0        1.503412    6.470732    0.239455
     22          6           0        2.716822    6.812451    0.844688
     23          6           0        3.852766    6.030941    0.611203
     24          6           0        3.777448    4.908553   -0.217889
     25          6           0        3.335238    1.643338   -0.003193
     26          6           0        3.127433    0.243926    0.586011
     27          8           0        2.701640    0.363856    1.960512
     28          6           0        4.416139   -0.619440    0.726725
     29          6           0        5.163977   -0.748893   -0.610218
     30          6           0        6.497903   -1.421558   -0.439144
     31          6           0        6.624371   -2.796994   -0.687542
     32          6           0        7.863910   -3.422801   -0.537596
     33          6           0        8.982610   -2.683036   -0.139236
     34          6           0        8.857101   -1.313253    0.111547
     35          6           0        7.619380   -0.680838   -0.036568
     36          7           0        4.028432   -1.955243    1.279888
     37          6           0        3.214890   -2.787186    0.508323
     38          8           0        3.163406   -2.897677   -0.707034
     39          8           0        2.448854   -3.585103    1.348264
     40          6           0        1.500632   -4.480440    0.683600
     41          6           0        0.453693   -3.700243   -0.004471
     42          6           0       -0.899253   -3.662047    0.198500
     43          7           0       -1.611070   -2.788175   -0.648688
     44          6           0       -0.804923   -2.166289   -1.490531
     45         16           0        0.889349   -2.590799   -1.284640
     46          6           0       -1.112022    0.890341    2.096955
     47          6           0       -0.560790   -0.527499    2.239290
     48          6           0       -0.222414    1.896570    2.833332
     49          6           0       -5.549461   -0.167016    0.845254
     50         16           0       -7.135764   -0.096629    1.546726
     51          1           0      -10.827855   -2.309063    0.802380
     52          1           0       -9.193917   -2.981516    0.858423
     53          1           0       -9.666080   -1.700920    1.983024
     54          1           0       -9.510904   -1.415491   -1.105065
     55          1           0       -9.993357    0.734205    1.083386
     56          1           0       -9.731041    1.064237   -0.633923
     57          1           0      -11.155811    0.157563   -0.111756
     58          1           0       -3.701276   -1.532553   -0.890370
     59          1           0       -4.843371   -1.508229   -2.254133
     60          1           0       -4.855143    0.481378   -3.785907
     61          1           0       -4.321550    2.056778   -3.123355
     62          1           0       -5.779812    1.257751   -2.461580
     63          1           0       -2.284447   -0.459006    0.010921
     64          1           0       -1.566083    2.413137    0.571404
     65          1           0        0.716407    2.999896    0.260159
     66          1           0        2.077274    1.207374   -1.734973
     67          1           0        1.669014    3.501192   -2.471862
     68          1           0        3.399256    3.239081   -2.301820
     69          1           0        0.475634    5.101038   -1.070685
     70          1           0        0.618463    7.083012    0.410245
     71          1           0        2.778369    7.686359    1.490000
     72          1           0        4.801316    6.299073    1.074854
     73          1           0        4.669026    4.312788   -0.400936
     74          1           0        3.420147    2.379623    0.823587
     75          1           0        4.301176    1.705188   -0.544394
     76          1           0        2.339566   -0.317632    0.019522
     77          1           0        1.789845    0.757777    2.007943
     78          1           0        5.088864   -0.153283    1.498774
     79          1           0        4.538436   -1.314513   -1.344335
     80          1           0        5.295674    0.258986   -1.059091
     81          1           0        5.748642   -3.373660   -0.990617
     82          1           0        7.958477   -4.490138   -0.730541
     83          1           0        9.946795   -3.172594   -0.024012
     84          1           0        9.725739   -0.736385    0.423494
     85          1           0        7.530015    0.383917    0.161718
     86          1           0        3.816483   -1.929333    2.288222
     87          1           0        1.124066   -5.060724    1.550465
     88          1           0        2.068348   -5.137186   -0.006726
     89          1           0       -1.468696   -4.230705    0.925516
     90          1           0       -1.118757   -1.429741   -2.224768
     91          1           0       -2.133692    0.920411    2.562784
     92          1           0       -1.192032   -1.267762    1.729310
     93          1           0        0.448155   -0.638443    1.816124
     94          1           0       -0.502148   -0.828478    3.291807
     95          1           0       -0.238872    1.707931    3.915487
     96          1           0        0.833124    1.831677    2.522002
     97          1           0       -0.553311    2.930641    2.687848
     98          1           0       -4.672479    0.160103    1.380940
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0813122      0.0289571      0.0233439
 Standard basis: VSTO-6G (5D, 7F)
 There are   258 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   258 basis functions,  1560 primitive gaussians,   260 cartesian basis functions
   134 alpha electrons      134 beta electrons
       nuclear repulsion energy      3659.7869976149 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   258 RedAO= F  NBF=   258
 NBsUse=   258 1.00D-04 NBFU=   258
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1290385.
 SCF Done:  E(RPM6) = -0.258573690486     A.U. after   10 cycles
             Convg  =    0.6405D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000001   -0.000000185    0.000000574
      2        6          -0.000000313   -0.000002971    0.000000487
      3        6          -0.000000079    0.000000135   -0.000000372
      4        6          -0.000002226    0.000011324   -0.000005047
      5        7           0.000003046   -0.000004277    0.000000970
      6        6          -0.000002289   -0.000001482   -0.000002029
      7        6          -0.000000671   -0.000001406    0.000003309
      8        7          -0.000000476    0.000008802   -0.000002062
      9        6           0.000005110   -0.000000245   -0.000000044
     10        6          -0.000002916   -0.000011367    0.000006375
     11        8          -0.000000371    0.000001810    0.000001244
     12        7           0.000004332   -0.000000759   -0.000006992
     13        6           0.000001043   -0.000006777    0.000002015
     14        6          -0.000002005    0.000002156   -0.000004037
     15        8           0.000001260    0.000000044    0.000001377
     16        7          -0.000008026    0.000000244    0.000000731
     17        6           0.000005900   -0.000003340    0.000001761
     18        6          -0.000000431   -0.000000070    0.000002009
     19        6           0.000002126    0.000001039   -0.000000159
     20        6          -0.000003054    0.000002444   -0.000001460
     21        6          -0.000000349   -0.000003339    0.000000471
     22        6           0.000003242    0.000000813   -0.000000634
     23        6          -0.000002644    0.000001798    0.000000127
     24        6           0.000000046   -0.000002641    0.000002102
     25        6           0.000003652   -0.000002166    0.000001481
     26        6           0.000007467   -0.000008314    0.000003594
     27        8           0.000010244    0.000003740   -0.000006289
     28        6          -0.000007190    0.000002619   -0.000001395
     29        6           0.000005329   -0.000001188    0.000000039
     30        6          -0.000002021   -0.000003978   -0.000001185
     31        6          -0.000001108    0.000001059    0.000001329
     32        6           0.000001264    0.000001971    0.000000338
     33        6          -0.000000048   -0.000002335   -0.000000779
     34        6          -0.000001842    0.000001140    0.000000939
     35        6           0.000001843    0.000000697   -0.000000876
     36        7           0.000000368    0.000003285   -0.000003026
     37        6          -0.000004858   -0.000003714   -0.000006967
     38        8           0.000000833    0.000000284    0.000001578
     39        8           0.000002292    0.000007219    0.000009954
     40        6          -0.000001598   -0.000008780   -0.000002750
     41        6           0.000007613    0.000002842    0.000009505
     42        6          -0.000008587    0.000001559    0.000001411
     43        7           0.000002146    0.000001729   -0.000006288
     44        6          -0.000002417    0.000000331    0.000002875
     45       16           0.000001827   -0.000001784   -0.000004758
     46        6           0.000002621    0.000000811   -0.000004229
     47        6          -0.000008831    0.000000932    0.000006175
     48        6          -0.000000659   -0.000002577    0.000003127
     49        6           0.000000294    0.000003354    0.000002266
     50       16          -0.000001245   -0.000005608    0.000000797
     51        1           0.000000249   -0.000000095    0.000000077
     52        1           0.000000148    0.000000396   -0.000000020
     53        1          -0.000000176   -0.000000160    0.000000270
     54        1          -0.000000373    0.000000495    0.000000149
     55        1           0.000000323   -0.000000011    0.000000331
     56        1          -0.000000117   -0.000000259    0.000000088
     57        1           0.000000345    0.000000279   -0.000000361
     58        1           0.000001696   -0.000000653   -0.000000535
     59        1          -0.000000619    0.000001313    0.000000407
     60        1           0.000000604    0.000000255    0.000000303
     61        1          -0.000001063    0.000000322   -0.000001635
     62        1          -0.000000981   -0.000000593   -0.000000581
     63        1          -0.000001239    0.000002020    0.000002847
     64        1          -0.000001008    0.000003567    0.000003106
     65        1           0.000003320    0.000000220   -0.000003545
     66        1          -0.000001381    0.000001020   -0.000002374
     67        1           0.000000539    0.000000641    0.000001633
     68        1           0.000000847   -0.000000728   -0.000000996
     69        1           0.000000495   -0.000000041    0.000000389
     70        1           0.000000007    0.000000392   -0.000000167
     71        1          -0.000000295   -0.000000135    0.000000142
     72        1           0.000000351   -0.000000238    0.000000146
     73        1          -0.000000200    0.000000346   -0.000000390
     74        1          -0.000001016    0.000002855   -0.000001487
     75        1          -0.000002120    0.000003127   -0.000001510
     76        1          -0.000002334    0.000001787    0.000000068
     77        1          -0.000012335   -0.000001109    0.000002167
     78        1          -0.000002432   -0.000000004    0.000003488
     79        1          -0.000001926    0.000001888   -0.000000230
     80        1           0.000000199    0.000000766   -0.000000948
     81        1           0.000000529    0.000000184    0.000000012
     82        1          -0.000000201   -0.000000274   -0.000000178
     83        1          -0.000000180    0.000000153    0.000000257
     84        1           0.000000057   -0.000000089   -0.000000097
     85        1          -0.000000134    0.000000184    0.000000089
     86        1           0.000004348   -0.000003181    0.000002624
     87        1          -0.000001046    0.000001619   -0.000002133
     88        1          -0.000001464    0.000001806   -0.000000618
     89        1           0.000001708   -0.000003166    0.000000725
     90        1           0.000000120   -0.000001583   -0.000001380
     91        1           0.000000160    0.000000456   -0.000001306
     92        1           0.000001395    0.000002086    0.000000154
     93        1           0.000004737    0.000000232   -0.000002314
     94        1           0.000004749   -0.000000664   -0.000000941
     95        1          -0.000002521    0.000000999    0.000000135
     96        1           0.000000940   -0.000001334   -0.000002437
     97        1           0.000000101    0.000000544    0.000000400
     98        1          -0.000000452   -0.000000513   -0.000001403
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012335 RMS     0.000003001

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000015717 RMS     0.000002008
 Search for a local minimum.
 Step number  89 out of a maximum of  540
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   70   73   72   74   75
                                                     76   77   78   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89
 DE= -3.08D-08 DEPred=-2.25D-08 R= 1.37D+00
 Trust test= 1.37D+00 RLast= 3.20D-03 DXMaxT set to 3.35D-01
     Eigenvalues ---    0.00062   0.00080   0.00107   0.00197   0.00223
     Eigenvalues ---    0.00246   0.00278   0.00340   0.00415   0.00494
     Eigenvalues ---    0.00581   0.00648   0.00678   0.00744   0.00821
     Eigenvalues ---    0.00858   0.00983   0.01049   0.01157   0.01198
     Eigenvalues ---    0.01249   0.01382   0.01423   0.01440   0.01477
     Eigenvalues ---    0.01528   0.01563   0.01705   0.01729   0.01753
     Eigenvalues ---    0.01933   0.02049   0.02146   0.02193   0.02196
     Eigenvalues ---    0.02203   0.02223   0.02258   0.02269   0.02292
     Eigenvalues ---    0.02328   0.02371   0.02404   0.02409   0.02416
     Eigenvalues ---    0.02431   0.02452   0.02482   0.02485   0.02526
     Eigenvalues ---    0.02528   0.02534   0.02593   0.02649   0.02721
     Eigenvalues ---    0.02934   0.02957   0.03385   0.03965   0.04026
     Eigenvalues ---    0.04145   0.04172   0.04188   0.04480   0.04514
     Eigenvalues ---    0.04611   0.04744   0.04955   0.04970   0.05105
     Eigenvalues ---    0.05194   0.05210   0.05306   0.05378   0.05429
     Eigenvalues ---    0.05495   0.05520   0.05544   0.05579   0.05643
     Eigenvalues ---    0.05725   0.05758   0.05829   0.05855   0.05903
     Eigenvalues ---    0.05983   0.06036   0.06147   0.06224   0.06416
     Eigenvalues ---    0.06507   0.06742   0.06907   0.07089   0.07193
     Eigenvalues ---    0.07529   0.08191   0.08510   0.08611   0.08801
     Eigenvalues ---    0.09354   0.09611   0.09907   0.10347   0.11584
     Eigenvalues ---    0.12095   0.12906   0.13115   0.13221   0.13434
     Eigenvalues ---    0.13817   0.14026   0.14518   0.15511   0.15636
     Eigenvalues ---    0.15703   0.15862   0.15919   0.15957   0.15963
     Eigenvalues ---    0.15985   0.15986   0.15991   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16005   0.16017   0.16025
     Eigenvalues ---    0.16045   0.16086   0.16099   0.16127   0.16153
     Eigenvalues ---    0.16258   0.16485   0.16857   0.16909   0.17354
     Eigenvalues ---    0.17853   0.17968   0.18259   0.18632   0.19166
     Eigenvalues ---    0.19736   0.20005   0.20654   0.21086   0.21825
     Eigenvalues ---    0.21886   0.21999   0.22000   0.22002   0.22086
     Eigenvalues ---    0.22222   0.22378   0.22721   0.23007   0.23332
     Eigenvalues ---    0.23505   0.23507   0.23714   0.23968   0.24295
     Eigenvalues ---    0.24420   0.24553   0.24736   0.24986   0.25093
     Eigenvalues ---    0.25257   0.25340   0.25565   0.26191   0.27551
     Eigenvalues ---    0.27941   0.29396   0.29790   0.29923   0.30047
     Eigenvalues ---    0.30154   0.30311   0.30461   0.30553   0.30665
     Eigenvalues ---    0.30824   0.31149   0.31361   0.31428   0.31445
     Eigenvalues ---    0.31505   0.31536   0.31667   0.31871   0.31961
     Eigenvalues ---    0.32054   0.32222   0.32367   0.32412   0.32505
     Eigenvalues ---    0.32621   0.32701   0.32775   0.32883   0.32943
     Eigenvalues ---    0.33043   0.33058   0.33088   0.33129   0.33205
     Eigenvalues ---    0.33248   0.33492   0.33542   0.33651   0.33676
     Eigenvalues ---    0.33741   0.33869   0.33969   0.33988   0.34134
     Eigenvalues ---    0.34203   0.34227   0.34269   0.34332   0.34451
     Eigenvalues ---    0.34490   0.34656   0.34767   0.34779   0.35301
     Eigenvalues ---    0.35955   0.36248   0.36314   0.36380   0.36627
     Eigenvalues ---    0.36796   0.36857   0.36991   0.37358   0.37757
     Eigenvalues ---    0.38416   0.38626   0.39231   0.40007   0.40635
     Eigenvalues ---    0.41076   0.41745   0.42497   0.42738   0.43077
     Eigenvalues ---    0.43364   0.44068   0.44366   0.44712   0.45449
     Eigenvalues ---    0.46414   0.47544   0.47785   0.48198   0.48358
     Eigenvalues ---    0.48623   0.48891   0.49115   0.49364   0.50314
     Eigenvalues ---    0.50853   0.51081   0.51290   0.51436   0.55875
     Eigenvalues ---    0.56476   0.58782   0.59939   0.62405   0.63034
     Eigenvalues ---    0.64795   0.68256   0.77976   0.79010   0.85155
     Eigenvalues ---    1.40764   1.82791   4.182201000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    89   88   87   86   85
 RFO step:  Lambda= 0.00000000D+00.
 DIIS coeffs:      1.36442     -0.21494     -0.32680      0.15295      0.02438
 Iteration  1 RMS(Cart)=  0.00023806 RMS(Int)=  0.00000003
 Iteration  2 RMS(Cart)=  0.00000017 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.89471   0.00000   0.00000   0.00000   0.00000   2.89471
    R2        2.07188   0.00000   0.00000   0.00000   0.00000   2.07188
    R3        2.07392   0.00000   0.00000   0.00000   0.00000   2.07392
    R4        2.07187   0.00000   0.00000   0.00000   0.00000   2.07187
    R5        2.89442   0.00000   0.00000   0.00000   0.00000   2.89442
    R6        2.82779   0.00000   0.00000   0.00000   0.00000   2.82779
    R7        2.13128   0.00000   0.00000   0.00000   0.00000   2.13129
    R8        2.07205   0.00000   0.00000   0.00000   0.00000   2.07205
    R9        2.07350   0.00000   0.00000   0.00000   0.00000   2.07350
   R10        2.07202   0.00000   0.00000   0.00000   0.00000   2.07202
   R11        2.47778   0.00000  -0.00001   0.00000  -0.00001   2.47776
   R12        3.37407   0.00001   0.00002   0.00001   0.00003   3.37410
   R13        2.68313   0.00000   0.00001   0.00000   0.00000   2.68314
   R14        2.84022   0.00000   0.00001  -0.00002  -0.00001   2.84021
   R15        2.58075   0.00000   0.00000   0.00000  -0.00001   2.58074
   R16        2.80646   0.00000   0.00000   0.00001   0.00000   2.80646
   R17        2.11729   0.00000   0.00001  -0.00001   0.00000   2.11729
   R18        2.11774   0.00000   0.00001   0.00000   0.00001   2.11774
   R19        2.81470   0.00000   0.00001   0.00000   0.00001   2.81471
   R20        2.68095   0.00001   0.00003   0.00002   0.00005   2.68100
   R21        2.08306   0.00000   0.00000   0.00000   0.00000   2.08306
   R22        2.09169   0.00000   0.00000   0.00000   0.00000   2.09169
   R23        2.08318   0.00000  -0.00001   0.00000  -0.00001   2.08317
   R24        2.31801   0.00000   0.00000   0.00000   0.00000   2.31801
   R25        2.69758   0.00000  -0.00003   0.00000  -0.00004   2.69754
   R26        2.79848   0.00000  -0.00001   0.00000   0.00000   2.79847
   R27        1.94709   0.00000  -0.00001   0.00001  -0.00001   1.94708
   R28        2.91647   0.00000   0.00000   0.00001   0.00001   2.91649
   R29        2.94215   0.00000   0.00001   0.00000   0.00000   2.94215
   R30        2.13612   0.00000   0.00000   0.00000  -0.00001   2.13612
   R31        2.31740   0.00000  -0.00001   0.00000  -0.00001   2.31739
   R32        2.62765   0.00000   0.00000   0.00000   0.00000   2.62765
   R33        2.81412   0.00000  -0.00001  -0.00001  -0.00002   2.81410
   R34        1.92363   0.00000   0.00001   0.00000   0.00001   1.92363
   R35        2.91902   0.00000   0.00002  -0.00001   0.00000   2.91902
   R36        2.91637   0.00000  -0.00001   0.00000  -0.00001   2.91636
   R37        2.13559   0.00000   0.00000   0.00000   0.00001   2.13560
   R38        2.84140   0.00000   0.00000   0.00000   0.00000   2.84139
   R39        2.10398   0.00000   0.00000   0.00000   0.00000   2.10398
   R40        2.09812   0.00000   0.00000   0.00000   0.00000   2.09811
   R41        2.65345   0.00000   0.00000   0.00000  -0.00001   2.65344
   R42        2.65220   0.00000   0.00000   0.00000   0.00001   2.65221
   R43        2.64039   0.00000   0.00000   0.00000   0.00001   2.64040
   R44        2.05982   0.00000   0.00000   0.00000   0.00000   2.05983
   R45        2.64254   0.00000   0.00000   0.00000  -0.00001   2.64253
   R46        2.05901   0.00000   0.00000   0.00000   0.00000   2.05901
   R47        2.64267   0.00000   0.00000   0.00000   0.00001   2.64268
   R48        2.05618   0.00000   0.00000   0.00000   0.00000   2.05618
   R49        2.64077   0.00000   0.00000   0.00000   0.00000   2.64076
   R50        2.05851   0.00000   0.00000   0.00000   0.00000   2.05851
   R51        2.05568   0.00000   0.00000   0.00000   0.00000   2.05568
   R52        2.89609   0.00000  -0.00001   0.00000  -0.00001   2.89609
   R53        2.09827   0.00000   0.00000  -0.00001  -0.00001   2.09826
   R54        2.09560   0.00000   0.00001   0.00000   0.00002   2.09562
   R55        2.72863  -0.00001   0.00000  -0.00001  -0.00001   2.72862
   R56        2.94334   0.00001   0.00002   0.00001   0.00003   2.94337
   R57        2.11868   0.00000  -0.00001   0.00000   0.00000   2.11868
   R58        1.87911  -0.00001  -0.00003  -0.00002  -0.00004   1.87906
   R59        2.90516   0.00000   0.00000   0.00000   0.00000   2.90516
   R60        2.82871   0.00000   0.00000   0.00000   0.00000   2.82871
   R61        2.12619   0.00000   0.00000   0.00001   0.00000   2.12619
   R62        2.84158   0.00000   0.00000   0.00001   0.00001   2.84158
   R63        2.11291   0.00000   0.00000   0.00000   0.00001   2.11292
   R64        2.09977   0.00000   0.00000   0.00000   0.00000   2.09977
   R65        2.65203   0.00000   0.00000   0.00000   0.00000   2.65204
   R66        2.65131   0.00000   0.00000   0.00000   0.00000   2.65131
   R67        2.63925   0.00000   0.00000   0.00000   0.00000   2.63925
   R68        2.06257   0.00000   0.00000   0.00000   0.00001   2.06258
   R69        2.64388   0.00000   0.00000   0.00000   0.00000   2.64389
   R70        2.05744   0.00000   0.00000   0.00000   0.00000   2.05744
   R71        2.64221   0.00000   0.00000   0.00000   0.00000   2.64221
   R72        2.05502   0.00000   0.00000   0.00000   0.00000   2.05503
   R73        2.64146   0.00000   0.00000   0.00000   0.00000   2.64146
   R74        2.05678   0.00000   0.00000   0.00000   0.00000   2.05678
   R75        2.05364   0.00000   0.00000   0.00000   0.00000   2.05364
   R76        2.63838   0.00000  -0.00001   0.00000  -0.00001   2.63837
   R77        1.94773   0.00001   0.00000   0.00002   0.00001   1.94774
   R78        2.30822   0.00000   0.00001   0.00000   0.00001   2.30822
   R79        2.62460   0.00001   0.00001   0.00001   0.00001   2.62461
   R80        2.76607  -0.00001   0.00000   0.00000  -0.00001   2.76606
   R81        2.78901   0.00000  -0.00001   0.00000   0.00000   2.78901
   R82        2.09580   0.00000   0.00001  -0.00001   0.00000   2.09580
   R83        2.09595   0.00000   0.00000   0.00000   0.00001   2.09596
   R84        2.58631   0.00000  -0.00002   0.00000  -0.00001   2.58630
   R85        3.30540   0.00000   0.00004   0.00000   0.00005   3.30544
   R86        2.66449   0.00001   0.00001   0.00001   0.00001   2.66450
   R87        2.04945   0.00000   0.00001   0.00000   0.00001   2.04946
   R88        2.49652   0.00000  -0.00001   0.00000  -0.00001   2.49652
   R89        3.32353   0.00000   0.00000   0.00000   0.00000   3.32353
   R90        2.05285   0.00000   0.00000   0.00000   0.00000   2.05286
   R91        2.88726   0.00000   0.00001   0.00000   0.00001   2.88726
   R92        2.89452   0.00000   0.00000   0.00001   0.00001   2.89453
   R93        2.12265   0.00000  -0.00001   0.00000   0.00000   2.12265
   R94        2.07572   0.00000   0.00000   0.00000   0.00000   2.07572
   R95        2.07814   0.00000   0.00000  -0.00001  -0.00001   2.07812
   R96        2.07166   0.00000   0.00000   0.00000   0.00000   2.07166
   R97        2.07605   0.00000   0.00000   0.00000   0.00000   2.07604
   R98        2.08325   0.00000   0.00001   0.00000   0.00001   2.08325
   R99        2.07006   0.00000   0.00000   0.00000   0.00000   2.07005
   R100       3.28039   0.00000   0.00001   0.00000   0.00000   3.28040
   R101       2.03798   0.00000   0.00000   0.00000   0.00000   2.03798
    A1        1.93486   0.00000   0.00000   0.00000   0.00000   1.93486
    A2        1.94433   0.00000   0.00000   0.00000   0.00000   1.94433
    A3        1.96106   0.00000   0.00000   0.00000   0.00000   1.96107
    A4        1.87401   0.00000   0.00000   0.00000   0.00000   1.87401
    A5        1.87031   0.00000   0.00000   0.00000   0.00000   1.87030
    A6        1.87511   0.00000   0.00000   0.00000   0.00000   1.87511
    A7        1.95152   0.00000   0.00000   0.00000   0.00000   1.95152
    A8        1.92531   0.00000   0.00000   0.00001   0.00001   1.92532
    A9        1.88883   0.00000   0.00000   0.00000   0.00000   1.88883
   A10        1.92750   0.00000   0.00000  -0.00001   0.00000   1.92750
   A11        1.88933   0.00000   0.00000   0.00000   0.00000   1.88933
   A12        1.87910   0.00000   0.00000   0.00000  -0.00001   1.87910
   A13        1.96118   0.00000   0.00000   0.00000   0.00000   1.96118
   A14        1.94530   0.00000   0.00000   0.00000   0.00000   1.94530
   A15        1.93463   0.00000   0.00000   0.00000   0.00000   1.93463
   A16        1.87496   0.00000   0.00000   0.00000   0.00000   1.87496
   A17        1.86953   0.00000   0.00000   0.00000   0.00000   1.86953
   A18        1.87403   0.00000   0.00000   0.00000   0.00000   1.87402
   A19        2.20980   0.00000   0.00002   0.00001   0.00003   2.20982
   A20        2.11698   0.00000  -0.00001  -0.00001  -0.00002   2.11696
   A21        1.95641   0.00000  -0.00001   0.00000  -0.00001   1.95640
   A22        1.96139   0.00000   0.00001   0.00000   0.00001   1.96140
   A23        2.05096   0.00000  -0.00001   0.00001   0.00000   2.05096
   A24        2.01109   0.00000   0.00000   0.00000   0.00000   2.01109
   A25        2.22111   0.00000   0.00001  -0.00001   0.00000   2.22111
   A26        1.97906   0.00000   0.00001  -0.00001   0.00000   1.97906
   A27        1.92177   0.00000   0.00000   0.00001   0.00001   1.92178
   A28        1.92166   0.00000   0.00000   0.00000  -0.00001   1.92166
   A29        1.92170   0.00000   0.00000   0.00001   0.00000   1.92171
   A30        1.87953   0.00000   0.00000   0.00000   0.00000   1.87953
   A31        1.83410   0.00000   0.00000   0.00000   0.00000   1.83410
   A32        1.98757   0.00000  -0.00001   0.00000  -0.00001   1.98756
   A33        2.11600   0.00000  -0.00003  -0.00001  -0.00004   2.11595
   A34        2.00975   0.00000  -0.00003  -0.00001  -0.00005   2.00971
   A35        1.89535   0.00000   0.00000   0.00001   0.00001   1.89536
   A36        1.92456   0.00000  -0.00001  -0.00002  -0.00002   1.92454
   A37        1.96591   0.00000   0.00001   0.00001   0.00002   1.96592
   A38        1.88981   0.00000  -0.00001   0.00001   0.00000   1.88981
   A39        1.89809   0.00000   0.00000  -0.00001   0.00000   1.89809
   A40        1.88858   0.00000   0.00000   0.00000   0.00001   1.88858
   A41        2.12908   0.00000  -0.00001   0.00000  -0.00001   2.12907
   A42        2.05222   0.00000   0.00000   0.00000   0.00000   2.05222
   A43        2.10116   0.00000   0.00001   0.00000   0.00001   2.10117
   A44        2.02328   0.00000   0.00002   0.00001   0.00003   2.02331
   A45        2.06459   0.00000   0.00003   0.00001   0.00004   2.06463
   A46        1.98864   0.00000   0.00001   0.00001   0.00001   1.98865
   A47        1.92449   0.00000  -0.00002  -0.00001  -0.00003   1.92446
   A48        1.90371   0.00000   0.00002   0.00000   0.00001   1.90373
   A49        1.87252   0.00000   0.00001  -0.00001   0.00001   1.87253
   A50        1.94508   0.00000   0.00000   0.00001   0.00001   1.94509
   A51        1.91267   0.00000   0.00001   0.00001   0.00002   1.91269
   A52        1.90381   0.00000  -0.00002   0.00001  -0.00001   1.90380
   A53        2.15479   0.00000   0.00001   0.00000   0.00001   2.15480
   A54        2.01692  -0.00001  -0.00002   0.00000  -0.00001   2.01691
   A55        2.11118   0.00000   0.00000   0.00000   0.00000   2.11119
   A56        2.12021   0.00001   0.00001   0.00000   0.00001   2.12022
   A57        2.12521  -0.00001  -0.00001   0.00000  -0.00001   2.12520
   A58        2.03725   0.00000   0.00000   0.00000   0.00000   2.03725
   A59        1.92029  -0.00001  -0.00001  -0.00001  -0.00002   1.92027
   A60        1.92188   0.00001   0.00004   0.00001   0.00005   1.92192
   A61        1.87825   0.00000  -0.00001   0.00001   0.00000   1.87825
   A62        1.96057   0.00000   0.00000  -0.00001  -0.00001   1.96056
   A63        1.88500   0.00000  -0.00001   0.00000  -0.00001   1.88500
   A64        1.89548   0.00000  -0.00001   0.00000  -0.00001   1.89547
   A65        1.99663   0.00000   0.00001  -0.00001   0.00000   1.99663
   A66        1.89511   0.00000   0.00000  -0.00001  -0.00001   1.89509
   A67        1.89929   0.00000   0.00000   0.00001   0.00001   1.89929
   A68        1.91809   0.00000   0.00000   0.00000   0.00000   1.91810
   A69        1.92266   0.00000   0.00000   0.00000   0.00000   1.92267
   A70        1.82388   0.00000   0.00000   0.00000   0.00000   1.82388
   A71        2.09424   0.00000   0.00000   0.00000   0.00000   2.09424
   A72        2.10351   0.00000   0.00000   0.00000   0.00000   2.10352
   A73        2.08540   0.00000   0.00000   0.00000   0.00000   2.08540
   A74        2.09685   0.00000   0.00000   0.00000   0.00000   2.09686
   A75        2.09732   0.00000   0.00000   0.00000   0.00000   2.09732
   A76        2.08889   0.00000  -0.00001   0.00000  -0.00001   2.08889
   A77        2.09866   0.00000   0.00000   0.00000   0.00000   2.09866
   A78        2.09058   0.00000   0.00000   0.00000   0.00000   2.09058
   A79        2.09393   0.00000   0.00000   0.00000   0.00000   2.09394
   A80        2.08981   0.00000   0.00000   0.00000   0.00000   2.08981
   A81        2.09675   0.00000   0.00000   0.00000   0.00000   2.09676
   A82        2.09661   0.00000   0.00000   0.00000   0.00000   2.09660
   A83        2.09917   0.00000   0.00000   0.00000   0.00000   2.09917
   A84        2.09290   0.00000   0.00000   0.00000   0.00000   2.09289
   A85        2.09112   0.00000   0.00000   0.00000   0.00000   2.09112
   A86        2.09642   0.00000   0.00000   0.00000   0.00000   2.09642
   A87        2.09749   0.00000   0.00000   0.00000   0.00000   2.09749
   A88        2.08925   0.00000   0.00000   0.00000   0.00000   2.08925
   A89        1.94442   0.00001   0.00002   0.00001   0.00003   1.94445
   A90        1.93469   0.00000   0.00002  -0.00001   0.00001   1.93470
   A91        1.90603   0.00000  -0.00002  -0.00001  -0.00003   1.90601
   A92        1.90667   0.00000  -0.00001   0.00001   0.00000   1.90668
   A93        1.93549   0.00000  -0.00001  -0.00001  -0.00002   1.93548
   A94        1.83361   0.00000  -0.00001   0.00001   0.00000   1.83361
   A95        1.90722   0.00000  -0.00001   0.00002   0.00001   1.90723
   A96        2.01385   0.00000   0.00001   0.00000   0.00001   2.01386
   A97        1.93734   0.00000   0.00002  -0.00001   0.00001   1.93735
   A98        1.77627   0.00000  -0.00002   0.00000  -0.00002   1.77624
   A99        1.89163   0.00000   0.00004  -0.00001   0.00003   1.89165
   A100       1.92777   0.00000  -0.00003   0.00000  -0.00003   1.92774
   A101       1.92698   0.00000   0.00002   0.00001   0.00003   1.92701
   A102       1.95044   0.00000  -0.00002   0.00001  -0.00001   1.95043
   A103       1.88993   0.00000   0.00000  -0.00001  -0.00002   1.88991
   A104       1.90396   0.00000   0.00000   0.00001   0.00001   1.90397
   A105       1.95220   0.00000   0.00002   0.00001   0.00002   1.95222
   A106       1.91854   0.00000   0.00001   0.00000   0.00001   1.91855
   A107       1.84525   0.00000   0.00000  -0.00002  -0.00002   1.84523
   A108       1.95008   0.00000   0.00000   0.00000  -0.00001   1.95008
   A109       1.91924   0.00000   0.00000   0.00000   0.00001   1.91925
   A110       1.90984   0.00000   0.00001   0.00001   0.00001   1.90986
   A111       1.92272   0.00000  -0.00001  -0.00001  -0.00002   1.92270
   A112       1.92472   0.00000   0.00000   0.00000   0.00000   1.92472
   A113       1.83375   0.00000   0.00000   0.00000   0.00000   1.83375
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   A132       2.06969   0.00000   0.00003  -0.00001   0.00002   2.06971
   A133       1.97398   0.00000   0.00001  -0.00002  -0.00001   1.97398
   A134       2.02172   0.00000   0.00002  -0.00001   0.00001   2.02173
   A135       2.25020   0.00000  -0.00002   0.00001  -0.00001   2.25019
   A136       1.90658   0.00001   0.00003   0.00000   0.00003   1.90661
   A137       2.12531  -0.00001  -0.00001  -0.00001  -0.00002   2.12528
   A138       2.01983  -0.00002  -0.00003  -0.00001  -0.00004   2.01979
   A139       1.92611   0.00000   0.00002   0.00000   0.00002   1.92613
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   A142       1.98247   0.00000  -0.00001   0.00001  -0.00001   1.98246
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   A162       1.95499   0.00000   0.00001  -0.00001   0.00000   1.95499
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   A167       1.86781   0.00001   0.00000   0.00003   0.00003   1.86784
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   A172       1.86334   0.00000   0.00001   0.00000   0.00001   1.86335
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   A175       2.23743   0.00000   0.00001   0.00000   0.00000   2.23743
   A176       2.12949   0.00000  -0.00001   0.00000  -0.00001   2.12949
   A177       1.57965   0.00000   0.00000   0.00000   0.00000   1.57965
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    D2       -3.04335   0.00000   0.00001  -0.00006  -0.00005  -3.04340
    D3       -0.99174   0.00000   0.00001  -0.00006  -0.00005  -0.99178
    D4       -3.10976   0.00000   0.00001  -0.00006  -0.00005  -3.10982
    D5       -0.95754   0.00000   0.00001  -0.00006  -0.00005  -0.95759
    D6        1.09408   0.00000   0.00001  -0.00006  -0.00005   1.09403
    D7       -1.00468   0.00000   0.00001  -0.00006  -0.00005  -1.00472
    D8        1.14755   0.00000   0.00001  -0.00006  -0.00004   1.14750
    D9       -3.08402   0.00000   0.00001  -0.00006  -0.00005  -3.08407
   D10        1.00119   0.00000   0.00001  -0.00004  -0.00003   1.00116
   D11        3.10685   0.00000   0.00001  -0.00004  -0.00003   3.10682
   D12       -1.09003   0.00000   0.00001  -0.00004  -0.00003  -1.09006
   D13       -1.14979   0.00000   0.00001  -0.00005  -0.00004  -1.14983
   D14        0.95586   0.00000   0.00001  -0.00005  -0.00004   0.95583
   D15        3.04218   0.00000   0.00001  -0.00005  -0.00004   3.04214
   D16        3.08024   0.00000   0.00001  -0.00004  -0.00003   3.08021
   D17       -1.09729   0.00000   0.00001  -0.00004  -0.00003  -1.09732
   D18        0.98902   0.00000   0.00001  -0.00004  -0.00003   0.98899
   D19        2.04327   0.00000   0.00005   0.00014   0.00019   2.04346
   D20       -1.09879   0.00000   0.00004   0.00010   0.00014  -1.09865
   D21       -2.07378   0.00000   0.00005   0.00014   0.00020  -2.07359
   D22        1.06734   0.00000   0.00004   0.00011   0.00014   1.06748
   D23       -0.01434   0.00000   0.00005   0.00014   0.00019  -0.01415
   D24        3.12678   0.00000   0.00004   0.00010   0.00014   3.12692
   D25       -3.13742   0.00000  -0.00001  -0.00001  -0.00002  -3.13744
   D26        0.00461   0.00000   0.00001   0.00002   0.00003   0.00464
   D27        3.13864   0.00000   0.00001   0.00000   0.00001   3.13865
   D28       -0.00336   0.00000  -0.00001  -0.00003  -0.00004  -0.00340
   D29        3.13134   0.00000   0.00001   0.00000   0.00001   3.13135
   D30       -0.00394   0.00000   0.00000   0.00000   0.00000  -0.00394
   D31        1.91718   0.00000  -0.00010  -0.00019  -0.00030   1.91688
   D32       -2.20417   0.00000  -0.00010  -0.00019  -0.00029  -2.20446
   D33       -0.18980   0.00000  -0.00011  -0.00019  -0.00029  -0.19010
   D34       -1.23158   0.00000  -0.00009  -0.00019  -0.00028  -1.23187
   D35        0.93025   0.00000  -0.00009  -0.00019  -0.00027   0.92998
   D36        2.94462   0.00000  -0.00009  -0.00019  -0.00028   2.94434
   D37        0.00127   0.00000   0.00000  -0.00002  -0.00003   0.00125
   D38       -3.13123   0.00000   0.00001   0.00002   0.00003  -3.13120
   D39       -3.13329   0.00000  -0.00002  -0.00002  -0.00004  -3.13333
   D40        0.01739   0.00000   0.00000   0.00002   0.00002   0.01741
   D41       -1.23857   0.00000   0.00008   0.00007   0.00015  -1.23842
   D42        1.27997   0.00000  -0.00004   0.00002  -0.00003   1.27994
   D43        2.88274   0.00000   0.00008   0.00006   0.00014   2.88288
   D44       -0.88191   0.00000  -0.00005   0.00001  -0.00004  -0.88194
   D45        0.89204   0.00000   0.00008   0.00006   0.00014   0.89218
   D46       -2.87260   0.00000  -0.00004   0.00001  -0.00004  -2.87264
   D47       -1.19202   0.00000   0.00009   0.00042   0.00052  -1.19150
   D48        3.02313   0.00000   0.00011   0.00042   0.00053   3.02366
   D49        0.91144   0.00000   0.00010   0.00042   0.00053   0.91196
   D50        2.53335   0.00000   0.00021   0.00047   0.00068   2.53403
   D51        0.46531   0.00000   0.00023   0.00047   0.00069   0.46600
   D52       -1.64638   0.00000   0.00022   0.00047   0.00069  -1.64569
   D53       -2.77580   0.00000   0.00003   0.00003   0.00006  -2.77574
   D54        0.40669   0.00000   0.00005   0.00004   0.00010   0.40678
   D55       -0.26459   0.00000  -0.00009  -0.00002  -0.00010  -0.26469
   D56        2.91790   0.00000  -0.00006  -0.00001  -0.00007   2.91783
   D57        2.84265   0.00000   0.00000  -0.00003  -0.00003   2.84262
   D58        0.38661   0.00000  -0.00009  -0.00007  -0.00016   0.38644
   D59       -0.25873   0.00000   0.00002  -0.00002   0.00000  -0.25873
   D60       -2.71478   0.00000  -0.00007  -0.00006  -0.00013  -2.71491
   D61       -1.42581   0.00000  -0.00011  -0.00002  -0.00013  -1.42593
   D62        2.71609   0.00000  -0.00011  -0.00002  -0.00012   2.71597
   D63        0.65616   0.00000  -0.00010  -0.00002  -0.00012   0.65603
   D64        1.05980   0.00000  -0.00002   0.00003   0.00001   1.05981
   D65       -1.08149   0.00000  -0.00001   0.00003   0.00001  -1.08148
   D66       -3.14142   0.00000  -0.00001   0.00002   0.00001  -3.14141
   D67       -0.54537   0.00000  -0.00011   0.00000  -0.00011  -0.54548
   D68        2.62209   0.00000  -0.00013   0.00002  -0.00011   2.62198
   D69        1.57147   0.00000  -0.00011   0.00000  -0.00011   1.57136
   D70       -1.54426   0.00000  -0.00012   0.00001  -0.00011  -1.54437
   D71       -2.60276   0.00000  -0.00012   0.00001  -0.00011  -2.60287
   D72        0.56470   0.00000  -0.00014   0.00003  -0.00011   0.56459
   D73        1.23596   0.00000  -0.00001  -0.00002  -0.00003   1.23593
   D74       -2.87597   0.00000  -0.00002  -0.00001  -0.00004  -2.87601
   D75       -0.83302   0.00000  -0.00002  -0.00001  -0.00003  -0.83305
   D76       -0.89293   0.00000   0.00001  -0.00001   0.00000  -0.89293
   D77        1.27832   0.00000   0.00000   0.00000  -0.00001   1.27831
   D78       -2.96191   0.00000   0.00000   0.00000   0.00000  -2.96192
   D79       -3.00707   0.00000   0.00001  -0.00003  -0.00002  -3.00708
   D80       -0.83582   0.00000   0.00000  -0.00002  -0.00002  -0.83584
   D81        1.20714   0.00000   0.00000  -0.00001  -0.00002   1.20712
   D82        3.14084   0.00000   0.00000   0.00004   0.00004   3.14088
   D83       -0.03650   0.00000   0.00005  -0.00004   0.00001  -0.03649
   D84        0.02442   0.00000  -0.00001   0.00005   0.00004   0.02446
   D85        3.13026   0.00000   0.00004  -0.00002   0.00001   3.13027
   D86        2.39487   0.00000   0.00013  -0.00003   0.00010   2.39497
   D87       -1.71808   0.00000   0.00015  -0.00004   0.00011  -1.71797
   D88        0.34512   0.00000   0.00015  -0.00003   0.00012   0.34524
   D89       -0.71269   0.00000   0.00008   0.00004   0.00013  -0.71257
   D90        1.45754   0.00000   0.00010   0.00003   0.00013   1.45768
   D91       -2.76244   0.00000   0.00010   0.00004   0.00014  -2.76230
   D92        1.03474   0.00000   0.00004  -0.00006  -0.00002   1.03472
   D93       -1.11456   0.00000   0.00004  -0.00005  -0.00001  -1.11457
   D94       -3.08997   0.00000   0.00004  -0.00005  -0.00001  -3.08998
   D95       -1.11296   0.00000   0.00000  -0.00005  -0.00005  -1.11302
   D96        3.02092   0.00000  -0.00001  -0.00004  -0.00005   3.02087
   D97        1.04551   0.00000   0.00000  -0.00005  -0.00005   1.04546
   D98        3.08029   0.00000   0.00002  -0.00005  -0.00003   3.08026
   D99        0.93099   0.00000   0.00002  -0.00004  -0.00002   0.93096
   D100      -1.04443   0.00000   0.00002  -0.00005  -0.00002  -1.04445
   D101       1.12455   0.00000  -0.00009  -0.00005  -0.00013   1.12442
   D102      -1.00266   0.00000  -0.00011  -0.00006  -0.00016  -1.00282
   D103      -3.01471   0.00000  -0.00009  -0.00006  -0.00015  -3.01487
   D104      -3.01183   0.00000  -0.00007  -0.00006  -0.00013  -3.01196
   D105       1.14415   0.00000  -0.00009  -0.00007  -0.00016   1.14399
   D106      -0.86790   0.00000  -0.00008  -0.00008  -0.00016  -0.86806
   D107      -0.92800   0.00000  -0.00009  -0.00006  -0.00015  -0.92816
   D108      -3.05521   0.00000  -0.00011  -0.00007  -0.00018  -3.05539
   D109       1.21592   0.00000  -0.00010  -0.00008  -0.00018   1.21575
   D110      -1.63816   0.00000  -0.00004  -0.00001  -0.00005  -1.63821
   D111       1.51170   0.00000  -0.00003  -0.00002  -0.00005   1.51165
   D112       0.49869   0.00000  -0.00004  -0.00003  -0.00007   0.49862
   D113      -2.63464   0.00000  -0.00003  -0.00004  -0.00007  -2.63471
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   D115      -0.63418   0.00000  -0.00003  -0.00003  -0.00006  -0.63424
   D116       3.13974   0.00000   0.00000  -0.00001  -0.00001   3.13973
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   D118      -0.01003   0.00000  -0.00001   0.00000  -0.00001  -0.01004
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   D120      -3.13918   0.00000   0.00000   0.00001   0.00001  -3.13917
   D121       0.00996   0.00000   0.00000   0.00001   0.00001   0.00997
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   D123      -3.12341   0.00000   0.00001   0.00000   0.00001  -3.12340
   D124       0.00171   0.00000   0.00001   0.00000   0.00000   0.00171
   D125       3.13803   0.00000   0.00001   0.00000   0.00001   3.13804
   D126      -3.12329   0.00000   0.00001  -0.00001   0.00000  -3.12329
   D127       0.01303   0.00000   0.00001  -0.00001   0.00000   0.01303
   D128       0.00607   0.00000   0.00000   0.00000   0.00000   0.00607
   D129       3.14129   0.00000   0.00000   0.00000   0.00000   3.14130
   D130      -3.13024   0.00000   0.00000   0.00000   0.00000  -3.13025
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   D135      -0.00214   0.00000   0.00000   0.00000   0.00000  -0.00214
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   D138      -3.14147   0.00000   0.00000   0.00000   0.00000  -3.14148
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   D140      -1.83863   0.00000  -0.00001   0.00009   0.00008  -1.83855
   D141       2.45657   0.00000   0.00002   0.00007   0.00010   2.45667
   D142       0.24668   0.00000   0.00004   0.00008   0.00012   0.24680
   D143       0.30472   0.00000   0.00002   0.00009   0.00011   0.30483
   D144      -1.68326   0.00000   0.00005   0.00008   0.00013  -1.68313
   D145       2.39003   0.00000   0.00007   0.00008   0.00016   2.39019
   D146       2.31761   0.00000   0.00001   0.00010   0.00010   2.31771
   D147       0.32962   0.00000   0.00004   0.00009   0.00012   0.32975
   D148      -1.88027   0.00000   0.00006   0.00009   0.00015  -1.88012
   D149       1.18345   0.00000   0.00009  -0.00017  -0.00008   1.18337
   D150      -2.96229   0.00000   0.00008  -0.00016  -0.00008  -2.96237
   D151      -0.92988   0.00000   0.00005  -0.00017  -0.00012  -0.92999
   D152      -0.95849   0.00000   0.00004  -0.00005  -0.00002  -0.95851
   D153      -3.11634   0.00000   0.00003  -0.00006  -0.00003  -3.11637
   D154       1.16658   0.00000   0.00004  -0.00004   0.00000   1.16658
   D155      -3.02101   0.00000   0.00006  -0.00007  -0.00001  -3.02102
   D156       1.10433   0.00000   0.00005  -0.00008  -0.00003   1.10431
   D157      -0.89593   0.00000   0.00006  -0.00006   0.00000  -0.89593
   D158       1.25625   0.00000   0.00004  -0.00006  -0.00002   1.25623
   D159      -0.90160   0.00000   0.00003  -0.00006  -0.00003  -0.90163
   D160      -2.90186   0.00000   0.00004  -0.00004   0.00000  -2.90187
   D161       3.00722   0.00000  -0.00005  -0.00002  -0.00007   3.00715
   D162      -1.13523   0.00000  -0.00006  -0.00003  -0.00009  -1.13531
   D163       0.87051   0.00000  -0.00005  -0.00002  -0.00008   0.87043
   D164      -1.15368   0.00000  -0.00005  -0.00003  -0.00008  -1.15376
   D165       0.98707   0.00000  -0.00006  -0.00004  -0.00010   0.98697
   D166       2.99280   0.00000  -0.00005  -0.00003  -0.00009   2.99271
   D167       0.89056   0.00000  -0.00003  -0.00005  -0.00008   0.89048
   D168       3.03130   0.00000  -0.00005  -0.00005  -0.00010   3.03120
   D169      -1.24615   0.00000  -0.00004  -0.00005  -0.00009  -1.24624
   D170       1.13514   0.00000   0.00006   0.00008   0.00014   1.13528
   D171      -1.31759   0.00000  -0.00003   0.00013   0.00010  -1.31749
   D172      -1.02165   0.00000   0.00007   0.00008   0.00015  -1.02150
   D173       2.80881   0.00000  -0.00002   0.00013   0.00011   2.80892
   D174      -3.10953   0.00000   0.00005   0.00008   0.00013  -3.10939
   D175       0.72093   0.00000  -0.00004   0.00013   0.00009   0.72102
   D176       1.69004   0.00000  -0.00002  -0.00002  -0.00004   1.69000
   D177      -1.45533   0.00000  -0.00002  -0.00002  -0.00003  -1.45536
   D178      -0.44871   0.00000  -0.00002  -0.00002  -0.00004  -0.44875
   D179       2.68910   0.00000  -0.00001  -0.00002  -0.00003   2.68907
   D180      -2.46497   0.00000  -0.00002  -0.00001  -0.00003  -2.46500
   D181       0.67285   0.00000  -0.00001  -0.00001  -0.00002   0.67283
   D182       3.13458   0.00000   0.00001   0.00000   0.00001   3.13459
   D183      -0.01478   0.00000   0.00001   0.00000   0.00001  -0.01478
   D184      -0.00327   0.00000   0.00001   0.00000   0.00000  -0.00326
   D185       3.13056   0.00000   0.00001  -0.00001   0.00000   3.13056
   D186      -3.13449   0.00000  -0.00001   0.00000  -0.00001  -3.13450
   D187       0.00792   0.00000  -0.00001   0.00000  -0.00001   0.00790
   D188       0.00333   0.00000   0.00000   0.00000   0.00000   0.00333
   D189      -3.13745   0.00000  -0.00001   0.00000   0.00000  -3.13745
   D190       0.00059   0.00000   0.00000   0.00000   0.00000   0.00059
   D191       3.14098   0.00000   0.00000   0.00000   0.00000   3.14098
   D192      -3.13318   0.00000   0.00000   0.00001   0.00000  -3.13318
   D193       0.00721   0.00000   0.00000   0.00000   0.00000   0.00721
   D194       0.00202   0.00000   0.00000   0.00000   0.00000   0.00202
   D195      -3.14072   0.00000   0.00000   0.00000  -0.00001  -3.14073
   D196      -3.13836   0.00000   0.00000   0.00000   0.00000  -3.13837
   D197       0.00208   0.00000   0.00000   0.00000  -0.00001   0.00207
   D198      -0.00195   0.00000   0.00000   0.00000   0.00000  -0.00195
   D199       3.13943   0.00000   0.00001   0.00000   0.00000   3.13943
   D200       3.14079   0.00000   0.00000   0.00000   0.00001   3.14080
   D201      -0.00101   0.00000   0.00001   0.00000   0.00001  -0.00101
   D202      -0.00073   0.00000   0.00000   0.00000   0.00000  -0.00073
   D203       3.14006   0.00000   0.00000   0.00000   0.00000   3.14006
   D204       3.14108   0.00000   0.00000   0.00000   0.00000   3.14108
   D205      -0.00133   0.00000   0.00000   0.00000   0.00000  -0.00133
   D206       0.56575   0.00000  -0.00012  -0.00001  -0.00014   0.56561
   D207      -2.62618   0.00000  -0.00014  -0.00002  -0.00016  -2.62634
   D208       3.00025   0.00000  -0.00003  -0.00007  -0.00010   3.00015
   D209      -0.19167   0.00000  -0.00005  -0.00008  -0.00013  -0.19180
   D210       3.10119   0.00000  -0.00009  -0.00005  -0.00014   3.10105
   D211      -0.08645   0.00000  -0.00011  -0.00005  -0.00016  -0.08662
   D212      -1.14948   0.00000   0.00009  -0.00003   0.00007  -1.14941
   D213       3.03448   0.00000   0.00010  -0.00004   0.00006   3.03454
   D214       1.01070   0.00000   0.00010  -0.00003   0.00006   1.01077
   D215      -2.05203   0.00000  -0.00002   0.00000  -0.00002  -2.05206
   D216       1.06860   0.00000   0.00001   0.00000   0.00002   1.06862
   D217      -0.09424   0.00000  -0.00001   0.00001   0.00000  -0.09424
   D218       3.02640   0.00000   0.00002   0.00002   0.00004   3.02644
   D219       2.11656   0.00000  -0.00002   0.00000  -0.00002   2.11654
   D220      -1.04599   0.00000   0.00001   0.00001   0.00002  -1.04597
   D221       3.13783   0.00000   0.00005   0.00000   0.00005   3.13788
   D222      -0.01278   0.00000   0.00009   0.00002   0.00012  -0.01266
   D223       0.01551   0.00000   0.00002  -0.00001   0.00001   0.01553
   D224      -3.13510   0.00000   0.00006   0.00002   0.00008  -3.13502
   D225       3.13860   0.00000  -0.00004   0.00001  -0.00003   3.13857
   D226      -0.01996   0.00000  -0.00002   0.00001   0.00000  -0.01997
   D227       0.00032   0.00000  -0.00002  -0.00001  -0.00002   0.00030
   D228      -3.13316   0.00000  -0.00005  -0.00003  -0.00008  -3.13324
   D229      -0.01634   0.00000   0.00000   0.00002   0.00002  -0.01632
   D230      -3.11786   0.00000   0.00006  -0.00002   0.00003  -3.11783
   D231       0.02135   0.00000   0.00001  -0.00002  -0.00001   0.02134
   D232       3.12448   0.00000  -0.00004   0.00002  -0.00002   3.12446
   D233      -0.98869   0.00000   0.00019  -0.00012   0.00008  -0.98861
   D234       1.10468   0.00000   0.00020  -0.00013   0.00007   1.10475
   D235      -3.07759   0.00000   0.00018  -0.00010   0.00008  -3.07750
   D236       3.12808   0.00000   0.00021  -0.00013   0.00008   3.12817
   D237      -1.06173   0.00000   0.00022  -0.00014   0.00008  -1.06165
   D238       1.03919   0.00000   0.00020  -0.00011   0.00009   1.03928
   D239       1.06040   0.00000   0.00021  -0.00012   0.00009   1.06049
   D240      -3.12941   0.00000   0.00022  -0.00014   0.00008  -3.12933
   D241      -1.02849   0.00000   0.00020  -0.00011   0.00009  -1.02840
   D242       2.96037   0.00000   0.00006   0.00007   0.00013   2.96050
   D243      -1.24935   0.00000   0.00006   0.00007   0.00013  -1.24922
   D244       0.87960   0.00000   0.00005   0.00006   0.00011   0.87972
   D245      -1.13316   0.00000   0.00007   0.00007   0.00013  -1.13303
   D246       0.94030   0.00000   0.00007   0.00007   0.00014   0.94044
   D247       3.06926   0.00000   0.00006   0.00006   0.00012   3.06938
   D248       0.93647   0.00000   0.00007   0.00006   0.00012   0.93659
   D249       3.00993   0.00000   0.00007   0.00006   0.00013   3.01006
   D250      -1.14430   0.00000   0.00006   0.00005   0.00011  -1.14419
   D251       0.00107   0.00000   0.00001   0.00003   0.00003   0.00110
   D252       3.13424   0.00000  -0.00001  -0.00001  -0.00002   3.13422
         Item               Value     Threshold  Converged?
 Maximum Force            0.000016     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.001332     0.001800     YES
 RMS     Displacement     0.000238     0.001200     YES
 Predicted change in Energy=-9.317718D-09
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.5318         -DE/DX =    0.0                 !
 ! R2    R(1,51)                 1.0964         -DE/DX =    0.0                 !
 ! R3    R(1,52)                 1.0975         -DE/DX =    0.0                 !
 ! R4    R(1,53)                 1.0964         -DE/DX =    0.0                 !
 ! R5    R(2,3)                  1.5317         -DE/DX =    0.0                 !
 ! R6    R(2,4)                  1.4964         -DE/DX =    0.0                 !
 ! R7    R(2,54)                 1.1278         -DE/DX =    0.0                 !
 ! R8    R(3,55)                 1.0965         -DE/DX =    0.0                 !
 ! R9    R(3,56)                 1.0973         -DE/DX =    0.0                 !
 ! R10   R(3,57)                 1.0965         -DE/DX =    0.0                 !
 ! R11   R(4,5)                  1.3112         -DE/DX =    0.0                 !
 ! R12   R(4,50)                 1.7855         -DE/DX =    0.0                 !
 ! R13   R(5,6)                  1.4199         -DE/DX =    0.0                 !
 ! R14   R(6,7)                  1.503          -DE/DX =    0.0                 !
 ! R15   R(6,49)                 1.3657         -DE/DX =    0.0                 !
 ! R16   R(7,8)                  1.4851         -DE/DX =    0.0                 !
 ! R17   R(7,58)                 1.1204         -DE/DX =    0.0                 !
 ! R18   R(7,59)                 1.1207         -DE/DX =    0.0                 !
 ! R19   R(8,9)                  1.4895         -DE/DX =    0.0                 !
 ! R20   R(8,10)                 1.4187         -DE/DX =    0.0                 !
 ! R21   R(9,60)                 1.1023         -DE/DX =    0.0                 !
 ! R22   R(9,61)                 1.1069         -DE/DX =    0.0                 !
 ! R23   R(9,62)                 1.1024         -DE/DX =    0.0                 !
 ! R24   R(10,11)                1.2266         -DE/DX =    0.0                 !
 ! R25   R(10,12)                1.4275         -DE/DX =    0.0                 !
 ! R26   R(12,13)                1.4809         -DE/DX =    0.0                 !
 ! R27   R(12,63)                1.0304         -DE/DX =    0.0                 !
 ! R28   R(13,14)                1.5433         -DE/DX =    0.0                 !
 ! R29   R(13,46)                1.5569         -DE/DX =    0.0                 !
 ! R30   R(13,64)                1.1304         -DE/DX =    0.0                 !
 ! R31   R(14,15)                1.2263         -DE/DX =    0.0                 !
 ! R32   R(14,16)                1.3905         -DE/DX =    0.0                 !
 ! R33   R(16,17)                1.4892         -DE/DX =    0.0                 !
 ! R34   R(16,65)                1.0179         -DE/DX =    0.0                 !
 ! R35   R(17,18)                1.5447         -DE/DX =    0.0                 !
 ! R36   R(17,25)                1.5433         -DE/DX =    0.0                 !
 ! R37   R(17,66)                1.1301         -DE/DX =    0.0                 !
 ! R38   R(18,19)                1.5036         -DE/DX =    0.0                 !
 ! R39   R(18,67)                1.1134         -DE/DX =    0.0                 !
 ! R40   R(18,68)                1.1103         -DE/DX =    0.0                 !
 ! R41   R(19,20)                1.4041         -DE/DX =    0.0                 !
 ! R42   R(19,24)                1.4035         -DE/DX =    0.0                 !
 ! R43   R(20,21)                1.3972         -DE/DX =    0.0                 !
 ! R44   R(20,69)                1.09           -DE/DX =    0.0                 !
 ! R45   R(21,22)                1.3984         -DE/DX =    0.0                 !
 ! R46   R(21,70)                1.0896         -DE/DX =    0.0                 !
 ! R47   R(22,23)                1.3984         -DE/DX =    0.0                 !
 ! R48   R(22,71)                1.0881         -DE/DX =    0.0                 !
 ! R49   R(23,24)                1.3974         -DE/DX =    0.0                 !
 ! R50   R(23,72)                1.0893         -DE/DX =    0.0                 !
 ! R51   R(24,73)                1.0878         -DE/DX =    0.0                 !
 ! R52   R(25,26)                1.5325         -DE/DX =    0.0                 !
 ! R53   R(25,74)                1.1104         -DE/DX =    0.0                 !
 ! R54   R(25,75)                1.1089         -DE/DX =    0.0                 !
 ! R55   R(26,27)                1.4439         -DE/DX =    0.0                 !
 ! R56   R(26,28)                1.5576         -DE/DX =    0.0                 !
 ! R57   R(26,76)                1.1212         -DE/DX =    0.0                 !
 ! R58   R(27,77)                0.9944         -DE/DX =    0.0                 !
 ! R59   R(28,29)                1.5373         -DE/DX =    0.0                 !
 ! R60   R(28,36)                1.4969         -DE/DX =    0.0                 !
 ! R61   R(28,78)                1.1251         -DE/DX =    0.0                 !
 ! R62   R(29,30)                1.5037         -DE/DX =    0.0                 !
 ! R63   R(29,79)                1.1181         -DE/DX =    0.0                 !
 ! R64   R(29,80)                1.1111         -DE/DX =    0.0                 !
 ! R65   R(30,31)                1.4034         -DE/DX =    0.0                 !
 ! R66   R(30,35)                1.403          -DE/DX =    0.0                 !
 ! R67   R(31,32)                1.3966         -DE/DX =    0.0                 !
 ! R68   R(31,81)                1.0915         -DE/DX =    0.0                 !
 ! R69   R(32,33)                1.3991         -DE/DX =    0.0                 !
 ! R70   R(32,82)                1.0888         -DE/DX =    0.0                 !
 ! R71   R(33,34)                1.3982         -DE/DX =    0.0                 !
 ! R72   R(33,83)                1.0875         -DE/DX =    0.0                 !
 ! R73   R(34,35)                1.3978         -DE/DX =    0.0                 !
 ! R74   R(34,84)                1.0884         -DE/DX =    0.0                 !
 ! R75   R(35,85)                1.0867         -DE/DX =    0.0                 !
 ! R76   R(36,37)                1.3962         -DE/DX =    0.0                 !
 ! R77   R(36,86)                1.0307         -DE/DX =    0.0                 !
 ! R78   R(37,38)                1.2215         -DE/DX =    0.0                 !
 ! R79   R(37,39)                1.3889         -DE/DX =    0.0                 !
 ! R80   R(39,40)                1.4637         -DE/DX =    0.0                 !
 ! R81   R(40,41)                1.4759         -DE/DX =    0.0                 !
 ! R82   R(40,87)                1.109          -DE/DX =    0.0                 !
 ! R83   R(40,88)                1.1091         -DE/DX =    0.0                 !
 ! R84   R(41,42)                1.3686         -DE/DX =    0.0                 !
 ! R85   R(41,45)                1.7491         -DE/DX =    0.0                 !
 ! R86   R(42,43)                1.41           -DE/DX =    0.0                 !
 ! R87   R(42,89)                1.0845         -DE/DX =    0.0                 !
 ! R88   R(43,44)                1.3211         -DE/DX =    0.0                 !
 ! R89   R(44,45)                1.7587         -DE/DX =    0.0                 !
 ! R90   R(44,90)                1.0863         -DE/DX =    0.0                 !
 ! R91   R(46,47)                1.5279         -DE/DX =    0.0                 !
 ! R92   R(46,48)                1.5317         -DE/DX =    0.0                 !
 ! R93   R(46,91)                1.1233         -DE/DX =    0.0                 !
 ! R94   R(47,92)                1.0984         -DE/DX =    0.0                 !
 ! R95   R(47,93)                1.0997         -DE/DX =    0.0                 !
 ! R96   R(47,94)                1.0963         -DE/DX =    0.0                 !
 ! R97   R(48,95)                1.0986         -DE/DX =    0.0                 !
 ! R98   R(48,96)                1.1024         -DE/DX =    0.0                 !
 ! R99   R(48,97)                1.0954         -DE/DX =    0.0                 !
 ! R100  R(49,50)                1.7359         -DE/DX =    0.0                 !
 ! R101  R(49,98)                1.0785         -DE/DX =    0.0                 !
 ! A1    A(2,1,51)             110.8596         -DE/DX =    0.0                 !
 ! A2    A(2,1,52)             111.402          -DE/DX =    0.0                 !
 ! A3    A(2,1,53)             112.3606         -DE/DX =    0.0                 !
 ! A4    A(51,1,52)            107.373          -DE/DX =    0.0                 !
 ! A5    A(51,1,53)            107.1606         -DE/DX =    0.0                 !
 ! A6    A(52,1,53)            107.4361         -DE/DX =    0.0                 !
 ! A7    A(1,2,3)              111.8139         -DE/DX =    0.0                 !
 ! A8    A(1,2,4)              110.3121         -DE/DX =    0.0                 !
 ! A9    A(1,2,54)             108.2222         -DE/DX =    0.0                 !
 ! A10   A(3,2,4)              110.4378         -DE/DX =    0.0                 !
 ! A11   A(3,2,54)             108.2508         -DE/DX =    0.0                 !
 ! A12   A(4,2,54)             107.6646         -DE/DX =    0.0                 !
 ! A13   A(2,3,55)             112.3676         -DE/DX =    0.0                 !
 ! A14   A(2,3,56)             111.4576         -DE/DX =    0.0                 !
 ! A15   A(2,3,57)             110.8459         -DE/DX =    0.0                 !
 ! A16   A(55,3,56)            107.4271         -DE/DX =    0.0                 !
 ! A17   A(55,3,57)            107.1162         -DE/DX =    0.0                 !
 ! A18   A(56,3,57)            107.3737         -DE/DX =    0.0                 !
 ! A19   A(2,4,5)              126.6121         -DE/DX =    0.0                 !
 ! A20   A(2,4,50)             121.2939         -DE/DX =    0.0                 !
 ! A21   A(5,4,50)             112.094          -DE/DX =    0.0                 !
 ! A22   A(4,5,6)              112.3793         -DE/DX =    0.0                 !
 ! A23   A(5,6,7)              117.5114         -DE/DX =    0.0                 !
 ! A24   A(5,6,49)             115.2271         -DE/DX =    0.0                 !
 ! A25   A(7,6,49)             127.2603         -DE/DX =    0.0                 !
 ! A26   A(6,7,8)              113.3919         -DE/DX =    0.0                 !
 ! A27   A(6,7,58)             110.1094         -DE/DX =    0.0                 !
 ! A28   A(6,7,59)             110.1031         -DE/DX =    0.0                 !
 ! A29   A(8,7,58)             110.1056         -DE/DX =    0.0                 !
 ! A30   A(8,7,59)             107.689          -DE/DX =    0.0                 !
 ! A31   A(58,7,59)            105.0864         -DE/DX =    0.0                 !
 ! A32   A(7,8,9)              113.8794         -DE/DX =    0.0                 !
 ! A33   A(7,8,10)             121.2378         -DE/DX =    0.0                 !
 ! A34   A(9,8,10)             115.1503         -DE/DX =    0.0                 !
 ! A35   A(8,9,60)             108.5958         -DE/DX =    0.0                 !
 ! A36   A(8,9,61)             110.2693         -DE/DX =    0.0                 !
 ! A37   A(8,9,62)             112.6382         -DE/DX =    0.0                 !
 ! A38   A(60,9,61)            108.278          -DE/DX =    0.0                 !
 ! A39   A(60,9,62)            108.7528         -DE/DX =    0.0                 !
 ! A40   A(61,9,62)            108.2075         -DE/DX =    0.0                 !
 ! A41   A(8,10,11)            121.9872         -DE/DX =    0.0                 !
 ! A42   A(8,10,12)            117.5834         -DE/DX =    0.0                 !
 ! A43   A(11,10,12)           120.3876         -DE/DX =    0.0                 !
 ! A44   A(10,12,13)           115.9254         -DE/DX =    0.0                 !
 ! A45   A(10,12,63)           118.2925         -DE/DX =    0.0                 !
 ! A46   A(13,12,63)           113.9406         -DE/DX =    0.0                 !
 ! A47   A(12,13,14)           110.2652         -DE/DX =    0.0                 !
 ! A48   A(12,13,46)           109.0747         -DE/DX =    0.0                 !
 ! A49   A(12,13,64)           107.2875         -DE/DX =    0.0                 !
 ! A50   A(14,13,46)           111.445          -DE/DX =    0.0                 !
 ! A51   A(14,13,64)           109.588          -DE/DX =    0.0                 !
 ! A52   A(46,13,64)           109.0802         -DE/DX =    0.0                 !
 ! A53   A(13,14,15)           123.4602         -DE/DX =    0.0                 !
 ! A54   A(13,14,16)           115.561          -DE/DX =    0.0                 !
 ! A55   A(15,14,16)           120.962          -DE/DX =    0.0                 !
 ! A56   A(14,16,17)           121.4788         -DE/DX =    0.0                 !
 ! A57   A(14,16,65)           121.7654         -DE/DX =    0.0                 !
 ! A58   A(17,16,65)           116.726          -DE/DX =    0.0                 !
 ! A59   A(16,17,18)           110.0243         -DE/DX =    0.0                 !
 ! A60   A(16,17,25)           110.1154         -DE/DX =    0.0                 !
 ! A61   A(16,17,66)           107.6156         -DE/DX =    0.0                 !
 ! A62   A(18,17,25)           112.3325         -DE/DX =    0.0                 !
 ! A63   A(18,17,66)           108.0027         -DE/DX =    0.0                 !
 ! A64   A(25,17,66)           108.6032         -DE/DX =    0.0                 !
 ! A65   A(17,18,19)           114.3984         -DE/DX =    0.0                 !
 ! A66   A(17,18,67)           108.5816         -DE/DX =    0.0                 !
 ! A67   A(17,18,68)           108.8212         -DE/DX =    0.0                 !
 ! A68   A(19,18,67)           109.8987         -DE/DX =    0.0                 !
 ! A69   A(19,18,68)           110.1605         -DE/DX =    0.0                 !
 ! A70   A(67,18,68)           104.5005         -DE/DX =    0.0                 !
 ! A71   A(18,19,20)           119.9913         -DE/DX =    0.0                 !
 ! A72   A(18,19,24)           120.5225         -DE/DX =    0.0                 !
 ! A73   A(20,19,24)           119.4845         -DE/DX =    0.0                 !
 ! A74   A(19,20,21)           120.1409         -DE/DX =    0.0                 !
 ! A75   A(19,20,69)           120.1675         -DE/DX =    0.0                 !
 ! A76   A(21,20,69)           119.6848         -DE/DX =    0.0                 !
 ! A77   A(20,21,22)           120.2442         -DE/DX =    0.0                 !
 ! A78   A(20,21,70)           119.7816         -DE/DX =    0.0                 !
 ! A79   A(22,21,70)           119.9735         -DE/DX =    0.0                 !
 ! A80   A(21,22,23)           119.7373         -DE/DX =    0.0                 !
 ! A81   A(21,22,71)           120.135          -DE/DX =    0.0                 !
 ! A82   A(23,22,71)           120.1267         -DE/DX =    0.0                 !
 ! A83   A(22,23,24)           120.2734         -DE/DX =    0.0                 !
 ! A84   A(22,23,72)           119.9142         -DE/DX =    0.0                 !
 ! A85   A(24,23,72)           119.8122         -DE/DX =    0.0                 !
 ! A86   A(19,24,23)           120.1162         -DE/DX =    0.0                 !
 ! A87   A(19,24,73)           120.1774         -DE/DX =    0.0                 !
 ! A88   A(23,24,73)           119.705          -DE/DX =    0.0                 !
 ! A89   A(17,25,26)           111.4072         -DE/DX =    0.0                 !
 ! A90   A(17,25,74)           110.8497         -DE/DX =    0.0                 !
 ! A91   A(17,25,75)           109.2077         -DE/DX =    0.0                 !
 ! A92   A(26,25,74)           109.2444         -DE/DX =    0.0                 !
 ! A93   A(26,25,75)           110.8956         -DE/DX =    0.0                 !
 ! A94   A(74,25,75)           105.0582         -DE/DX =    0.0                 !
 ! A95   A(25,26,27)           109.2759         -DE/DX =    0.0                 !
 ! A96   A(25,26,28)           115.3851         -DE/DX =    0.0                 !
 ! A97   A(25,26,76)           111.0014         -DE/DX =    0.0                 !
 ! A98   A(27,26,28)           101.7725         -DE/DX =    0.0                 !
 ! A99   A(27,26,76)           108.3822         -DE/DX =    0.0                 !
 ! A100  A(28,26,76)           110.453          -DE/DX =    0.0                 !
 ! A101  A(26,27,77)           110.408          -DE/DX =    0.0                 !
 ! A102  A(26,28,29)           111.7522         -DE/DX =    0.0                 !
 ! A103  A(26,28,36)           108.2849         -DE/DX =    0.0                 !
 ! A104  A(26,28,78)           109.0891         -DE/DX =    0.0                 !
 ! A105  A(29,28,36)           111.8526         -DE/DX =    0.0                 !
 ! A106  A(29,28,78)           109.924          -DE/DX =    0.0                 !
 ! A107  A(36,28,78)           105.7248         -DE/DX =    0.0                 !
 ! A108  A(28,29,30)           111.7314         -DE/DX =    0.0                 !
 ! A109  A(28,29,79)           109.9641         -DE/DX =    0.0                 !
 ! A110  A(28,29,80)           109.4259         -DE/DX =    0.0                 !
 ! A111  A(30,29,79)           110.1635         -DE/DX =    0.0                 !
 ! A112  A(30,29,80)           110.2784         -DE/DX =    0.0                 !
 ! A113  A(79,29,80)           105.066          -DE/DX =    0.0                 !
 ! A114  A(29,30,31)           119.8832         -DE/DX =    0.0                 !
 ! A115  A(29,30,35)           120.3685         -DE/DX =    0.0                 !
 ! A116  A(31,30,35)           119.748          -DE/DX =    0.0                 !
 ! A117  A(30,31,32)           120.0088         -DE/DX =    0.0                 !
 ! A118  A(30,31,81)           119.6473         -DE/DX =    0.0                 !
 ! A119  A(32,31,81)           120.3424         -DE/DX =    0.0                 !
 ! A120  A(31,32,33)           120.2188         -DE/DX =    0.0                 !
 ! A121  A(31,32,82)           119.8237         -DE/DX =    0.0                 !
 ! A122  A(33,32,82)           119.9575         -DE/DX =    0.0                 !
 ! A123  A(32,33,34)           119.8215         -DE/DX =    0.0                 !
 ! A124  A(32,33,83)           120.0716         -DE/DX =    0.0                 !
 ! A125  A(34,33,83)           120.1069         -DE/DX =    0.0                 !
 ! A126  A(33,34,35)           120.2466         -DE/DX =    0.0                 !
 ! A127  A(33,34,84)           119.9345         -DE/DX =    0.0                 !
 ! A128  A(35,34,84)           119.8189         -DE/DX =    0.0                 !
 ! A129  A(30,35,34)           119.956          -DE/DX =    0.0                 !
 ! A130  A(30,35,85)           120.2578         -DE/DX =    0.0                 !
 ! A131  A(34,35,85)           119.7862         -DE/DX =    0.0                 !
 ! A132  A(28,36,37)           118.5845         -DE/DX =    0.0                 !
 ! A133  A(28,36,86)           113.101          -DE/DX =    0.0                 !
 ! A134  A(37,36,86)           115.836          -DE/DX =    0.0                 !
 ! A135  A(36,37,38)           128.9272         -DE/DX =    0.0                 !
 ! A136  A(36,37,39)           109.239          -DE/DX =    0.0                 !
 ! A137  A(38,37,39)           121.7711         -DE/DX =    0.0                 !
 ! A138  A(37,39,40)           115.7278         -DE/DX =    0.0                 !
 ! A139  A(39,40,41)           110.3577         -DE/DX =    0.0                 !
 ! A140  A(39,40,87)           100.6656         -DE/DX =    0.0                 !
 ! A141  A(39,40,88)           108.254          -DE/DX =    0.0                 !
 ! A142  A(41,40,87)           113.5869         -DE/DX =    0.0                 !
 ! A143  A(41,40,88)           112.7021         -DE/DX =    0.0                 !
 ! A144  A(87,40,88)           110.516          -DE/DX =    0.0                 !
 ! A145  A(40,41,42)           130.3048         -DE/DX =    0.0                 !
 ! A146  A(40,41,45)           119.9888         -DE/DX =    0.0                 !
 ! A147  A(42,41,45)           109.6976         -DE/DX =    0.0                 !
 ! A148  A(41,42,43)           115.2929         -DE/DX =    0.0                 !
 ! A149  A(41,42,89)           127.145          -DE/DX =    0.0                 !
 ! A150  A(43,42,89)           117.5602         -DE/DX =    0.0                 !
 ! A151  A(42,43,44)           111.5041         -DE/DX =    0.0                 !
 ! A152  A(43,44,45)           113.5545         -DE/DX =    0.0                 !
 ! A153  A(43,44,90)           124.9999         -DE/DX =    0.0                 !
 ! A154  A(45,44,90)           121.4051         -DE/DX =    0.0                 !
 ! A155  A(41,45,44)            89.9334         -DE/DX =    0.0                 !
 ! A156  A(13,46,47)           112.6588         -DE/DX =    0.0                 !
 ! A157  A(13,46,48)           110.3078         -DE/DX =    0.0                 !
 ! A158  A(13,46,91)           106.3859         -DE/DX =    0.0                 !
 ! A159  A(47,46,48)           110.8114         -DE/DX =    0.0                 !
 ! A160  A(47,46,91)           108.3223         -DE/DX =    0.0                 !
 ! A161  A(48,46,91)           108.1379         -DE/DX =    0.0                 !
 ! A162  A(46,47,92)           112.0126         -DE/DX =    0.0                 !
 ! A163  A(46,47,93)           112.8787         -DE/DX =    0.0                 !
 ! A164  A(46,47,94)           111.3162         -DE/DX =    0.0                 !
 ! A165  A(92,47,93)           106.2963         -DE/DX =    0.0                 !
 ! A166  A(92,47,94)           106.9458         -DE/DX =    0.0                 !
 ! A167  A(93,47,94)           107.0176         -DE/DX =    0.0                 !
 ! A168  A(46,48,95)           110.6132         -DE/DX =    0.0                 !
 ! A169  A(46,48,96)           112.4366         -DE/DX =    0.0                 !
 ! A170  A(46,48,97)           112.386          -DE/DX =    0.0                 !
 ! A171  A(95,48,96)           106.4046         -DE/DX =    0.0                 !
 ! A172  A(95,48,97)           106.7616         -DE/DX =    0.0                 !
 ! A173  A(96,48,97)           107.8959         -DE/DX =    0.0                 !
 ! A174  A(6,49,50)            109.7917         -DE/DX =    0.0                 !
 ! A175  A(6,49,98)            128.1952         -DE/DX =    0.0                 !
 ! A176  A(50,49,98)           122.011          -DE/DX =    0.0                 !
 ! A177  A(4,50,49)             90.5072         -DE/DX =    0.0                 !
 ! D1    D(51,1,2,3)            62.3154         -DE/DX =    0.0                 !
 ! D2    D(51,1,2,4)          -174.3713         -DE/DX =    0.0                 !
 ! D3    D(51,1,2,54)          -56.8222         -DE/DX =    0.0                 !
 ! D4    D(52,1,2,3)          -178.1762         -DE/DX =    0.0                 !
 ! D5    D(52,1,2,4)           -54.8629         -DE/DX =    0.0                 !
 ! D6    D(52,1,2,54)           62.6861         -DE/DX =    0.0                 !
 ! D7    D(53,1,2,3)           -57.5637         -DE/DX =    0.0                 !
 ! D8    D(53,1,2,4)            65.7496         -DE/DX =    0.0                 !
 ! D9    D(53,1,2,54)         -176.7013         -DE/DX =    0.0                 !
 ! D10   D(1,2,3,55)            57.3638         -DE/DX =    0.0                 !
 ! D11   D(1,2,3,56)           178.0092         -DE/DX =    0.0                 !
 ! D12   D(1,2,3,57)           -62.454          -DE/DX =    0.0                 !
 ! D13   D(4,2,3,55)           -65.8784         -DE/DX =    0.0                 !
 ! D14   D(4,2,3,56)            54.767          -DE/DX =    0.0                 !
 ! D15   D(4,2,3,57)           174.3038         -DE/DX =    0.0                 !
 ! D16   D(54,2,3,55)          176.4846         -DE/DX =    0.0                 !
 ! D17   D(54,2,3,56)          -62.87           -DE/DX =    0.0                 !
 ! D18   D(54,2,3,57)           56.6668         -DE/DX =    0.0                 !
 ! D19   D(1,2,4,5)            117.0709         -DE/DX =    0.0                 !
 ! D20   D(1,2,4,50)           -62.9562         -DE/DX =    0.0                 !
 ! D21   D(3,2,4,5)           -118.8189         -DE/DX =    0.0                 !
 ! D22   D(3,2,4,50)            61.154          -DE/DX =    0.0                 !
 ! D23   D(54,2,4,5)            -0.8218         -DE/DX =    0.0                 !
 ! D24   D(54,2,4,50)          179.1511         -DE/DX =    0.0                 !
 ! D25   D(2,4,5,6)           -179.7609         -DE/DX =    0.0                 !
 ! D26   D(50,4,5,6)             0.2641         -DE/DX =    0.0                 !
 ! D27   D(2,4,50,49)          179.831          -DE/DX =    0.0                 !
 ! D28   D(5,4,50,49)           -0.1925         -DE/DX =    0.0                 !
 ! D29   D(4,5,6,7)            179.4127         -DE/DX =    0.0                 !
 ! D30   D(4,5,6,49)            -0.2258         -DE/DX =    0.0                 !
 ! D31   D(5,6,7,8)            109.8463         -DE/DX =    0.0                 !
 ! D32   D(5,6,7,58)          -126.2895         -DE/DX =    0.0                 !
 ! D33   D(5,6,7,59)           -10.875          -DE/DX =    0.0                 !
 ! D34   D(49,6,7,8)           -70.5646         -DE/DX =    0.0                 !
 ! D35   D(49,6,7,58)           53.2996         -DE/DX =    0.0                 !
 ! D36   D(49,6,7,59)          168.7141         -DE/DX =    0.0                 !
 ! D37   D(5,6,49,50)            0.073          -DE/DX =    0.0                 !
 ! D38   D(5,6,49,98)         -179.4063         -DE/DX =    0.0                 !
 ! D39   D(7,6,49,50)         -179.5241         -DE/DX =    0.0                 !
 ! D40   D(7,6,49,98)            0.9966         -DE/DX =    0.0                 !
 ! D41   D(6,7,8,9)            -70.9651         -DE/DX =    0.0                 !
 ! D42   D(6,7,8,10)            73.3367         -DE/DX =    0.0                 !
 ! D43   D(58,7,8,9)           165.1687         -DE/DX =    0.0                 !
 ! D44   D(58,7,8,10)          -50.5296         -DE/DX =    0.0                 !
 ! D45   D(59,7,8,9)            51.1103         -DE/DX =    0.0                 !
 ! D46   D(59,7,8,10)         -164.588          -DE/DX =    0.0                 !
 ! D47   D(7,8,9,60)           -68.2975         -DE/DX =    0.0                 !
 ! D48   D(7,8,9,61)           173.2127         -DE/DX =    0.0                 !
 ! D49   D(7,8,9,62)            52.2215         -DE/DX =    0.0                 !
 ! D50   D(10,8,9,60)          145.15           -DE/DX =    0.0                 !
 ! D51   D(10,8,9,61)           26.6603         -DE/DX =    0.0                 !
 ! D52   D(10,8,9,62)          -94.3309         -DE/DX =    0.0                 !
 ! D53   D(7,8,10,11)         -159.0416         -DE/DX =    0.0                 !
 ! D54   D(7,8,10,12)           23.3015         -DE/DX =    0.0                 !
 ! D55   D(9,8,10,11)          -15.1596         -DE/DX =    0.0                 !
 ! D56   D(9,8,10,12)          167.1835         -DE/DX =    0.0                 !
 ! D57   D(8,10,12,13)         162.8721         -DE/DX =    0.0                 !
 ! D58   D(8,10,12,63)          22.1509         -DE/DX =    0.0                 !
 ! D59   D(11,10,12,13)        -14.8241         -DE/DX =    0.0                 !
 ! D60   D(11,10,12,63)       -155.5453         -DE/DX =    0.0                 !
 ! D61   D(10,12,13,14)        -81.6927         -DE/DX =    0.0                 !
 ! D62   D(10,12,13,46)        155.6205         -DE/DX =    0.0                 !
 ! D63   D(10,12,13,64)         37.595          -DE/DX =    0.0                 !
 ! D64   D(63,12,13,14)         60.7221         -DE/DX =    0.0                 !
 ! D65   D(63,12,13,46)        -61.9647         -DE/DX =    0.0                 !
 ! D66   D(63,12,13,64)       -179.9902         -DE/DX =    0.0                 !
 ! D67   D(12,13,14,15)        -31.2474         -DE/DX =    0.0                 !
 ! D68   D(12,13,14,16)        150.2347         -DE/DX =    0.0                 !
 ! D69   D(46,13,14,15)         90.0383         -DE/DX =    0.0                 !
 ! D70   D(46,13,14,16)        -88.4795         -DE/DX =    0.0                 !
 ! D71   D(64,13,14,15)       -149.1273         -DE/DX =    0.0                 !
 ! D72   D(64,13,14,16)         32.3548         -DE/DX =    0.0                 !
 ! D73   D(12,13,46,47)         70.8155         -DE/DX =    0.0                 !
 ! D74   D(12,13,46,48)       -164.7811         -DE/DX =    0.0                 !
 ! D75   D(12,13,46,91)        -47.7285         -DE/DX =    0.0                 !
 ! D76   D(14,13,46,47)        -51.1612         -DE/DX =    0.0                 !
 ! D77   D(14,13,46,48)         73.2423         -DE/DX =    0.0                 !
 ! D78   D(14,13,46,91)       -169.7052         -DE/DX =    0.0                 !
 ! D79   D(64,13,46,47)       -172.2922         -DE/DX =    0.0                 !
 ! D80   D(64,13,46,48)        -47.8888         -DE/DX =    0.0                 !
 ! D81   D(64,13,46,91)         69.1638         -DE/DX =    0.0                 !
 ! D82   D(13,14,16,17)        179.9571         -DE/DX =    0.0                 !
 ! D83   D(13,14,16,65)         -2.0911         -DE/DX =    0.0                 !
 ! D84   D(15,14,16,17)          1.3991         -DE/DX =    0.0                 !
 ! D85   D(15,14,16,65)        179.3509         -DE/DX =    0.0                 !
 ! D86   D(14,16,17,18)        137.2159         -DE/DX =    0.0                 !
 ! D87   D(14,16,17,25)        -98.4385         -DE/DX =    0.0                 !
 ! D88   D(14,16,17,66)         19.7739         -DE/DX =    0.0                 !
 ! D89   D(65,16,17,18)        -40.8344         -DE/DX =    0.0                 !
 ! D90   D(65,16,17,25)         83.5111         -DE/DX =    0.0                 !
 ! D91   D(65,16,17,66)       -158.2764         -DE/DX =    0.0                 !
 ! D92   D(16,17,18,19)         59.2862         -DE/DX =    0.0                 !
 ! D93   D(16,17,18,67)        -63.8598         -DE/DX =    0.0                 !
 ! D94   D(16,17,18,68)       -177.0425         -DE/DX =    0.0                 !
 ! D95   D(25,17,18,19)        -63.7681         -DE/DX =    0.0                 !
 ! D96   D(25,17,18,67)        173.0859         -DE/DX =    0.0                 !
 ! D97   D(25,17,18,68)         59.9032         -DE/DX =    0.0                 !
 ! D98   D(66,17,18,19)        176.4875         -DE/DX =    0.0                 !
 ! D99   D(66,17,18,67)         53.3415         -DE/DX =    0.0                 !
 ! D100  D(66,17,18,68)        -59.8412         -DE/DX =    0.0                 !
 ! D101  D(16,17,25,26)         64.432          -DE/DX =    0.0                 !
 ! D102  D(16,17,25,74)        -57.448          -DE/DX =    0.0                 !
 ! D103  D(16,17,25,75)       -172.7303         -DE/DX =    0.0                 !
 ! D104  D(18,17,25,26)       -172.5649         -DE/DX =    0.0                 !
 ! D105  D(18,17,25,74)         65.5552         -DE/DX =    0.0                 !
 ! D106  D(18,17,25,75)        -49.7271         -DE/DX =    0.0                 !
 ! D107  D(66,17,25,26)        -53.1706         -DE/DX =    0.0                 !
 ! D108  D(66,17,25,74)       -175.0506         -DE/DX =    0.0                 !
 ! D109  D(66,17,25,75)         69.6671         -DE/DX =    0.0                 !
 ! D110  D(17,18,19,20)        -93.8594         -DE/DX =    0.0                 !
 ! D111  D(17,18,19,24)         86.614          -DE/DX =    0.0                 !
 ! D112  D(67,18,19,20)         28.5729         -DE/DX =    0.0                 !
 ! D113  D(67,18,19,24)       -150.9537         -DE/DX =    0.0                 !
 ! D114  D(68,18,19,20)        143.1906         -DE/DX =    0.0                 !
 ! D115  D(68,18,19,24)        -36.336          -DE/DX =    0.0                 !
 ! D116  D(18,19,20,21)        179.8936         -DE/DX =    0.0                 !
 ! D117  D(18,19,20,69)         -1.0616         -DE/DX =    0.0                 !
 ! D118  D(24,19,20,21)         -0.5749         -DE/DX =    0.0                 !
 ! D119  D(24,19,20,69)        178.4699         -DE/DX =    0.0                 !
 ! D120  D(18,19,24,23)       -179.8619         -DE/DX =    0.0                 !
 ! D121  D(18,19,24,73)          0.5707         -DE/DX =    0.0                 !
 ! D122  D(20,19,24,23)          0.6092         -DE/DX =    0.0                 !
 ! D123  D(20,19,24,73)       -178.9583         -DE/DX =    0.0                 !
 ! D124  D(19,20,21,22)          0.0979         -DE/DX =    0.0                 !
 ! D125  D(19,20,21,70)        179.7958         -DE/DX =    0.0                 !
 ! D126  D(69,20,21,22)       -178.9516         -DE/DX =    0.0                 !
 ! D127  D(69,20,21,70)          0.7464         -DE/DX =    0.0                 !
 ! D128  D(20,21,22,23)          0.3477         -DE/DX =    0.0                 !
 ! D129  D(20,21,22,71)        179.9829         -DE/DX =    0.0                 !
 ! D130  D(70,21,22,23)       -179.3497         -DE/DX =    0.0                 !
 ! D131  D(70,21,22,71)          0.2855         -DE/DX =    0.0                 !
 ! D132  D(21,22,23,24)         -0.3133         -DE/DX =    0.0                 !
 ! D133  D(21,22,23,72)        179.5128         -DE/DX =    0.0                 !
 ! D134  D(71,22,23,24)       -179.9485         -DE/DX =    0.0                 !
 ! D135  D(71,22,23,72)         -0.1224         -DE/DX =    0.0                 !
 ! D136  D(22,23,24,19)         -0.167          -DE/DX =    0.0                 !
 ! D137  D(22,23,24,73)        179.4026         -DE/DX =    0.0                 !
 ! D138  D(72,23,24,19)       -179.9932         -DE/DX =    0.0                 !
 ! D139  D(72,23,24,73)         -0.4237         -DE/DX =    0.0                 !
 ! D140  D(17,25,26,27)       -105.3457         -DE/DX =    0.0                 !
 ! D141  D(17,25,26,28)        140.7511         -DE/DX =    0.0                 !
 ! D142  D(17,25,26,76)         14.1337         -DE/DX =    0.0                 !
 ! D143  D(74,25,26,27)         17.4593         -DE/DX =    0.0                 !
 ! D144  D(74,25,26,28)        -96.4438         -DE/DX =    0.0                 !
 ! D145  D(74,25,26,76)        136.9388         -DE/DX =    0.0                 !
 ! D146  D(75,25,26,27)        132.7891         -DE/DX =    0.0                 !
 ! D147  D(75,25,26,28)         18.886          -DE/DX =    0.0                 !
 ! D148  D(75,25,26,76)       -107.7314         -DE/DX =    0.0                 !
 ! D149  D(25,26,27,77)         67.8069         -DE/DX =    0.0                 !
 ! D150  D(28,26,27,77)       -169.7267         -DE/DX =    0.0                 !
 ! D151  D(76,26,27,77)        -53.2779         -DE/DX =    0.0                 !
 ! D152  D(25,26,28,29)        -54.9176         -DE/DX =    0.0                 !
 ! D153  D(25,26,28,36)       -178.5531         -DE/DX =    0.0                 !
 ! D154  D(25,26,28,78)         66.8402         -DE/DX =    0.0                 !
 ! D155  D(27,26,28,29)       -173.091          -DE/DX =    0.0                 !
 ! D156  D(27,26,28,36)         63.2735         -DE/DX =    0.0                 !
 ! D157  D(27,26,28,78)        -51.3332         -DE/DX =    0.0                 !
 ! D158  D(76,26,28,29)         71.9777         -DE/DX =    0.0                 !
 ! D159  D(76,26,28,36)        -51.6579         -DE/DX =    0.0                 !
 ! D160  D(76,26,28,78)       -166.2645         -DE/DX =    0.0                 !
 ! D161  D(26,28,29,30)        172.3008         -DE/DX =    0.0                 !
 ! D162  D(26,28,29,79)        -65.0437         -DE/DX =    0.0                 !
 ! D163  D(26,28,29,80)         49.8764         -DE/DX =    0.0                 !
 ! D164  D(36,28,29,30)        -66.1008         -DE/DX =    0.0                 !
 ! D165  D(36,28,29,79)         56.5547         -DE/DX =    0.0                 !
 ! D166  D(36,28,29,80)        171.4747         -DE/DX =    0.0                 !
 ! D167  D(78,28,29,30)         51.0254         -DE/DX =    0.0                 !
 ! D168  D(78,28,29,79)        173.6809         -DE/DX =    0.0                 !
 ! D169  D(78,28,29,80)        -71.3991         -DE/DX =    0.0                 !
 ! D170  D(26,28,36,37)         65.0389         -DE/DX =    0.0                 !
 ! D171  D(26,28,36,86)        -75.4921         -DE/DX =    0.0                 !
 ! D172  D(29,28,36,37)        -58.5362         -DE/DX =    0.0                 !
 ! D173  D(29,28,36,86)        160.9329         -DE/DX =    0.0                 !
 ! D174  D(78,28,36,37)       -178.1627         -DE/DX =    0.0                 !
 ! D175  D(78,28,36,86)         41.3064         -DE/DX =    0.0                 !
 ! D176  D(28,29,30,31)         96.8323         -DE/DX =    0.0                 !
 ! D177  D(28,29,30,35)        -83.384          -DE/DX =    0.0                 !
 ! D178  D(79,29,30,31)        -25.7094         -DE/DX =    0.0                 !
 ! D179  D(79,29,30,35)        154.0743         -DE/DX =    0.0                 !
 ! D180  D(80,29,30,31)       -141.2325         -DE/DX =    0.0                 !
 ! D181  D(80,29,30,35)         38.5512         -DE/DX =    0.0                 !
 ! D182  D(29,30,31,32)        179.598          -DE/DX =    0.0                 !
 ! D183  D(29,30,31,81)         -0.8471         -DE/DX =    0.0                 !
 ! D184  D(35,30,31,32)         -0.1871         -DE/DX =    0.0                 !
 ! D185  D(35,30,31,81)        179.3678         -DE/DX =    0.0                 !
 ! D186  D(29,30,35,34)       -179.5931         -DE/DX =    0.0                 !
 ! D187  D(29,30,35,85)          0.4536         -DE/DX =    0.0                 !
 ! D188  D(31,30,35,34)          0.1909         -DE/DX =    0.0                 !
 ! D189  D(31,30,35,85)       -179.7624         -DE/DX =    0.0                 !
 ! D190  D(30,31,32,33)          0.0339         -DE/DX =    0.0                 !
 ! D191  D(30,31,32,82)        179.9647         -DE/DX =    0.0                 !
 ! D192  D(81,31,32,33)       -179.5179         -DE/DX =    0.0                 !
 ! D193  D(81,31,32,82)          0.4129         -DE/DX =    0.0                 !
 ! D194  D(31,32,33,34)          0.1158         -DE/DX =    0.0                 !
 ! D195  D(31,32,33,83)       -179.9502         -DE/DX =    0.0                 !
 ! D196  D(82,32,33,34)       -179.8149         -DE/DX =    0.0                 !
 ! D197  D(82,32,33,83)          0.1191         -DE/DX =    0.0                 !
 ! D198  D(32,33,34,35)         -0.112          -DE/DX =    0.0                 !
 ! D199  D(32,33,34,84)        179.876          -DE/DX =    0.0                 !
 ! D200  D(83,33,34,35)        179.9541         -DE/DX =    0.0                 !
 ! D201  D(83,33,34,84)         -0.0579         -DE/DX =    0.0                 !
 ! D202  D(33,34,35,30)         -0.0416         -DE/DX =    0.0                 !
 ! D203  D(33,34,35,85)        179.9119         -DE/DX =    0.0                 !
 ! D204  D(84,34,35,30)        179.9704         -DE/DX =    0.0                 !
 ! D205  D(84,34,35,85)         -0.0761         -DE/DX =    0.0                 !
 ! D206  D(28,36,37,38)         32.4149         -DE/DX =    0.0                 !
 ! D207  D(28,36,37,39)       -150.4689         -DE/DX =    0.0                 !
 ! D208  D(86,36,37,38)        171.9017         -DE/DX =    0.0                 !
 ! D209  D(86,36,37,39)        -10.9822         -DE/DX =    0.0                 !
 ! D210  D(36,37,39,40)        177.6853         -DE/DX =    0.0                 !
 ! D211  D(38,37,39,40)         -4.9534         -DE/DX =    0.0                 !
 ! D212  D(37,39,40,41)        -65.8602         -DE/DX =    0.0                 !
 ! D213  D(37,39,40,87)        173.8627         -DE/DX =    0.0                 !
 ! D214  D(37,39,40,88)         57.9091         -DE/DX =    0.0                 !
 ! D215  D(39,40,41,42)       -117.5729         -DE/DX =    0.0                 !
 ! D216  D(39,40,41,45)         61.2265         -DE/DX =    0.0                 !
 ! D217  D(87,40,41,42)         -5.3995         -DE/DX =    0.0                 !
 ! D218  D(87,40,41,45)        173.4            -DE/DX =    0.0                 !
 ! D219  D(88,40,41,42)        121.2697         -DE/DX =    0.0                 !
 ! D220  D(88,40,41,45)        -59.9308         -DE/DX =    0.0                 !
 ! D221  D(40,41,42,43)        179.7843         -DE/DX =    0.0                 !
 ! D222  D(40,41,42,89)         -0.7322         -DE/DX =    0.0                 !
 ! D223  D(45,41,42,43)          0.8887         -DE/DX =    0.0                 !
 ! D224  D(45,41,42,89)       -179.6278         -DE/DX =    0.0                 !
 ! D225  D(40,41,45,44)        179.8286         -DE/DX =    0.0                 !
 ! D226  D(42,41,45,44)         -1.1439         -DE/DX =    0.0                 !
 ! D227  D(41,42,43,44)          0.0186         -DE/DX =    0.0                 !
 ! D228  D(89,42,43,44)       -179.5169         -DE/DX =    0.0                 !
 ! D229  D(42,43,44,45)         -0.9364         -DE/DX =    0.0                 !
 ! D230  D(42,43,44,90)       -178.6402         -DE/DX =    0.0                 !
 ! D231  D(43,44,45,41)          1.2232         -DE/DX =    0.0                 !
 ! D232  D(90,44,45,41)        179.0195         -DE/DX =    0.0                 !
 ! D233  D(13,46,47,92)        -56.6479         -DE/DX =    0.0                 !
 ! D234  D(13,46,47,93)         63.2934         -DE/DX =    0.0                 !
 ! D235  D(13,46,47,94)       -176.3326         -DE/DX =    0.0                 !
 ! D236  D(48,46,47,92)        179.2259         -DE/DX =    0.0                 !
 ! D237  D(48,46,47,93)        -60.8328         -DE/DX =    0.0                 !
 ! D238  D(48,46,47,94)         59.5412         -DE/DX =    0.0                 !
 ! D239  D(91,46,47,92)         60.7566         -DE/DX =    0.0                 !
 ! D240  D(91,46,47,93)       -179.3021         -DE/DX =    0.0                 !
 ! D241  D(91,46,47,94)        -58.9281         -DE/DX =    0.0                 !
 ! D242  D(13,46,48,95)        169.6167         -DE/DX =    0.0                 !
 ! D243  D(13,46,48,96)        -71.5827         -DE/DX =    0.0                 !
 ! D244  D(13,46,48,97)         50.3974         -DE/DX =    0.0                 !
 ! D245  D(47,46,48,95)        -64.9253         -DE/DX =    0.0                 !
 ! D246  D(47,46,48,96)         53.8753         -DE/DX =    0.0                 !
 ! D247  D(47,46,48,97)        175.8554         -DE/DX =    0.0                 !
 ! D248  D(91,46,48,95)         53.6558         -DE/DX =    0.0                 !
 ! D249  D(91,46,48,96)        172.4563         -DE/DX =    0.0                 !
 ! D250  D(91,46,48,97)        -65.5635         -DE/DX =    0.0                 !
 ! D251  D(6,49,50,4)            0.0612         -DE/DX =    0.0                 !
 ! D252  D(98,49,50,4)         179.5786         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N6O5S2
 Framework group  C1[X(C37H48N6O5S2)]
 Deg. of freedom   288
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -9.772036   -2.053184    0.950192
      2          6           0       -9.316001   -1.007333   -0.071908
      3          6           0      -10.086323    0.308076    0.077381
      4          6           0       -7.844057   -0.767776    0.051458
      5          7           0       -6.934210   -1.002683   -0.862979
      6          6           0       -5.626434   -0.667998   -0.422878
      7          6           0       -4.490588   -0.904648   -1.378287
      8          7           0       -3.892620    0.348444   -1.905315
      9          6           0       -4.769023    1.078363   -2.863263
     10          6           0       -3.072353    1.171345   -1.091256
     11          8           0       -2.880159    2.355080   -1.349095
     12          7           0       -2.425999    0.561468    0.025892
     13          6           0       -1.294262    1.316620    0.610660
     14          6           0       -0.008926    1.072550   -0.208006
     15          8           0        0.228290    0.023717   -0.797520
     16          7           0        0.904870    2.120577   -0.216789
     17          6           0        2.189597    2.025857   -0.963863
     18          6           0        2.466517    3.349815   -1.709836
     19          6           0        2.558633    4.557335   -0.818642
     20          6           0        1.421879    5.349224   -0.589904
     21          6           0        1.503412    6.470732    0.239455
     22          6           0        2.716822    6.812451    0.844688
     23          6           0        3.852766    6.030941    0.611203
     24          6           0        3.777448    4.908553   -0.217889
     25          6           0        3.335238    1.643338   -0.003193
     26          6           0        3.127433    0.243926    0.586011
     27          8           0        2.701640    0.363856    1.960512
     28          6           0        4.416139   -0.619440    0.726725
     29          6           0        5.163977   -0.748893   -0.610218
     30          6           0        6.497903   -1.421558   -0.439144
     31          6           0        6.624371   -2.796994   -0.687542
     32          6           0        7.863910   -3.422801   -0.537596
     33          6           0        8.982610   -2.683036   -0.139236
     34          6           0        8.857101   -1.313253    0.111547
     35          6           0        7.619380   -0.680838   -0.036568
     36          7           0        4.028432   -1.955243    1.279888
     37          6           0        3.214890   -2.787186    0.508323
     38          8           0        3.163406   -2.897677   -0.707034
     39          8           0        2.448854   -3.585103    1.348264
     40          6           0        1.500632   -4.480440    0.683600
     41          6           0        0.453693   -3.700243   -0.004471
     42          6           0       -0.899253   -3.662047    0.198500
     43          7           0       -1.611070   -2.788175   -0.648688
     44          6           0       -0.804923   -2.166289   -1.490531
     45         16           0        0.889349   -2.590799   -1.284640
     46          6           0       -1.112022    0.890341    2.096955
     47          6           0       -0.560790   -0.527499    2.239290
     48          6           0       -0.222414    1.896570    2.833332
     49          6           0       -5.549461   -0.167016    0.845254
     50         16           0       -7.135764   -0.096629    1.546726
     51          1           0      -10.827855   -2.309063    0.802380
     52          1           0       -9.193917   -2.981516    0.858423
     53          1           0       -9.666080   -1.700920    1.983024
     54          1           0       -9.510904   -1.415491   -1.105065
     55          1           0       -9.993357    0.734205    1.083386
     56          1           0       -9.731041    1.064237   -0.633923
     57          1           0      -11.155811    0.157563   -0.111756
     58          1           0       -3.701276   -1.532553   -0.890370
     59          1           0       -4.843371   -1.508229   -2.254133
     60          1           0       -4.855143    0.481378   -3.785907
     61          1           0       -4.321550    2.056778   -3.123355
     62          1           0       -5.779812    1.257751   -2.461580
     63          1           0       -2.284447   -0.459006    0.010921
     64          1           0       -1.566083    2.413137    0.571404
     65          1           0        0.716407    2.999896    0.260159
     66          1           0        2.077274    1.207374   -1.734973
     67          1           0        1.669014    3.501192   -2.471862
     68          1           0        3.399256    3.239081   -2.301820
     69          1           0        0.475634    5.101038   -1.070685
     70          1           0        0.618463    7.083012    0.410245
     71          1           0        2.778369    7.686359    1.490000
     72          1           0        4.801316    6.299073    1.074854
     73          1           0        4.669026    4.312788   -0.400936
     74          1           0        3.420147    2.379623    0.823587
     75          1           0        4.301176    1.705188   -0.544394
     76          1           0        2.339566   -0.317632    0.019522
     77          1           0        1.789845    0.757777    2.007943
     78          1           0        5.088864   -0.153283    1.498774
     79          1           0        4.538436   -1.314513   -1.344335
     80          1           0        5.295674    0.258986   -1.059091
     81          1           0        5.748642   -3.373660   -0.990617
     82          1           0        7.958477   -4.490138   -0.730541
     83          1           0        9.946795   -3.172594   -0.024012
     84          1           0        9.725739   -0.736385    0.423494
     85          1           0        7.530015    0.383917    0.161718
     86          1           0        3.816483   -1.929333    2.288222
     87          1           0        1.124066   -5.060724    1.550465
     88          1           0        2.068348   -5.137186   -0.006726
     89          1           0       -1.468696   -4.230705    0.925516
     90          1           0       -1.118757   -1.429741   -2.224768
     91          1           0       -2.133692    0.920411    2.562784
     92          1           0       -1.192032   -1.267762    1.729310
     93          1           0        0.448155   -0.638443    1.816124
     94          1           0       -0.502148   -0.828478    3.291807
     95          1           0       -0.238872    1.707931    3.915487
     96          1           0        0.833124    1.831677    2.522002
     97          1           0       -0.553311    2.930641    2.687848
     98          1           0       -4.672479    0.160103    1.380940
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0813122      0.0289571      0.0233439

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --   -1.22554  -1.21931  -1.21576  -1.20886  -1.20264
 Alpha  occ. eigenvalues --   -1.15558  -1.14964  -1.13001  -1.12166  -1.11808
 Alpha  occ. eigenvalues --   -1.10596  -1.09996  -1.09246  -1.06525  -1.06082
 Alpha  occ. eigenvalues --   -1.03810  -1.03710  -1.03123  -1.01798  -0.97904
 Alpha  occ. eigenvalues --   -0.97453  -0.96753  -0.96302  -0.94857  -0.94589
 Alpha  occ. eigenvalues --   -0.92544  -0.90904  -0.90643  -0.90184  -0.88811
 Alpha  occ. eigenvalues --   -0.88111  -0.86199  -0.85401  -0.81686  -0.80752
 Alpha  occ. eigenvalues --   -0.80632  -0.79017  -0.78414  -0.78198  -0.76037
 Alpha  occ. eigenvalues --   -0.75099  -0.74842  -0.74263  -0.73742  -0.73129
 Alpha  occ. eigenvalues --   -0.71728  -0.71035  -0.69132  -0.68751  -0.67747
 Alpha  occ. eigenvalues --   -0.66951  -0.64975  -0.63947  -0.63757  -0.63306
 Alpha  occ. eigenvalues --   -0.61959  -0.61399  -0.61008  -0.60626  -0.60487
 Alpha  occ. eigenvalues --   -0.59516  -0.59265  -0.58646  -0.58268  -0.57472
 Alpha  occ. eigenvalues --   -0.57382  -0.57015  -0.56437  -0.56254  -0.55821
 Alpha  occ. eigenvalues --   -0.55654  -0.55228  -0.54842  -0.54573  -0.54230
 Alpha  occ. eigenvalues --   -0.53713  -0.53443  -0.53331  -0.53200  -0.52705
 Alpha  occ. eigenvalues --   -0.52336  -0.52008  -0.51906  -0.51452  -0.51172
 Alpha  occ. eigenvalues --   -0.51130  -0.50913  -0.50757  -0.50478  -0.50393
 Alpha  occ. eigenvalues --   -0.50139  -0.49830  -0.49502  -0.49423  -0.49027
 Alpha  occ. eigenvalues --   -0.48513  -0.48425  -0.48335  -0.47493  -0.47196
 Alpha  occ. eigenvalues --   -0.46623  -0.46529  -0.46146  -0.45941  -0.45670
 Alpha  occ. eigenvalues --   -0.45632  -0.45111  -0.44902  -0.44559  -0.44247
 Alpha  occ. eigenvalues --   -0.44121  -0.43810  -0.43736  -0.43315  -0.43263
 Alpha  occ. eigenvalues --   -0.41877  -0.41225  -0.41071  -0.40144  -0.39837
 Alpha  occ. eigenvalues --   -0.38217  -0.37817  -0.37467  -0.37099  -0.36914
 Alpha  occ. eigenvalues --   -0.36794  -0.36317  -0.35691  -0.35647  -0.35176
 Alpha  occ. eigenvalues --   -0.34981  -0.34217  -0.33939  -0.33691
 Alpha virt. eigenvalues --   -0.01391  -0.01334  -0.00274   0.00064   0.00096
 Alpha virt. eigenvalues --    0.00878   0.01559   0.01749   0.01771   0.01810
 Alpha virt. eigenvalues --    0.02444   0.03128   0.03376   0.03831   0.03858
 Alpha virt. eigenvalues --    0.04765   0.04830   0.05420   0.07296   0.07965
 Alpha virt. eigenvalues --    0.08213   0.08401   0.08473   0.08816   0.08958
 Alpha virt. eigenvalues --    0.09131   0.09802   0.10088   0.10310   0.10536
 Alpha virt. eigenvalues --    0.10722   0.10862   0.10966   0.11229   0.11271
 Alpha virt. eigenvalues --    0.11344   0.11532   0.11702   0.12061   0.12474
 Alpha virt. eigenvalues --    0.13002   0.13270   0.13313   0.13343   0.13411
 Alpha virt. eigenvalues --    0.13659   0.14048   0.14219   0.14355   0.14477
 Alpha virt. eigenvalues --    0.14575   0.14680   0.14757   0.14875   0.15029
 Alpha virt. eigenvalues --    0.15416   0.15789   0.16401   0.16522   0.16580
 Alpha virt. eigenvalues --    0.16891   0.17036   0.17156   0.17231   0.17352
 Alpha virt. eigenvalues --    0.17421   0.17927   0.17967   0.18010   0.18064
 Alpha virt. eigenvalues --    0.18345   0.18513   0.18714   0.18870   0.19004
 Alpha virt. eigenvalues --    0.19114   0.19131   0.19250   0.19318   0.19383
 Alpha virt. eigenvalues --    0.19417   0.19471   0.19522   0.19659   0.19771
 Alpha virt. eigenvalues --    0.19842   0.20055   0.20170   0.20213   0.20404
 Alpha virt. eigenvalues --    0.20522   0.20555   0.20632   0.20750   0.20853
 Alpha virt. eigenvalues --    0.20884   0.20887   0.20976   0.21109   0.21246
 Alpha virt. eigenvalues --    0.21278   0.21371   0.21532   0.21636   0.21711
 Alpha virt. eigenvalues --    0.21771   0.21869   0.21969   0.22037   0.22046
 Alpha virt. eigenvalues --    0.22227   0.22468   0.22640   0.22712   0.22880
 Alpha virt. eigenvalues --    0.23247   0.23364   0.23551   0.23599   0.23682
 Alpha virt. eigenvalues --    0.23956   0.24106   0.24375   0.24808
          Condensed to atoms (all electrons):
 Mulliken atomic charges:
              1
     1  C   -0.489642
     2  C   -0.001119
     3  C   -0.490040
     4  C    0.111272
     5  N   -0.338557
     6  C    0.100155
     7  C   -0.122509
     8  N   -0.361666
     9  C   -0.290995
    10  C    0.659604
    11  O   -0.587414
    12  N   -0.509641
    13  C   -0.082259
    14  C    0.552503
    15  O   -0.582527
    16  N   -0.530549
    17  C    0.144592
    18  C   -0.376962
    19  C    0.083727
    20  C   -0.227973
    21  C   -0.102507
    22  C   -0.178665
    23  C   -0.104199
    24  C   -0.215442
    25  C   -0.415504
    26  C    0.110456
    27  O   -0.598592
    28  C    0.076526
    29  C   -0.359017
    30  C    0.086024
    31  C   -0.185537
    32  C   -0.116472
    33  C   -0.174673
    34  C   -0.114267
    35  C   -0.217604
    36  N   -0.462480
    37  C    0.694691
    38  O   -0.548457
    39  O   -0.469611
    40  C    0.052376
    41  C   -0.239687
    42  C   -0.028426
    43  N   -0.351338
    44  C   -0.015092
    45  S    0.182760
    46  C    0.003509
    47  C   -0.510291
    48  C   -0.506021
    49  C   -0.321207
    50  S    0.029676
    51  H    0.158188
    52  H    0.162482
    53  H    0.161381
    54  H    0.153879
    55  H    0.161738
    56  H    0.161609
    57  H    0.158309
    58  H    0.184915
    59  H    0.180342
    60  H    0.154656
    61  H    0.177183
    62  H    0.150134
    63  H    0.291709
    64  H    0.184741
    65  H    0.285118
    66  H    0.152570
    67  H    0.173557
    68  H    0.165148
    69  H    0.161629
    70  H    0.145498
    71  H    0.150436
    72  H    0.144080
    73  H    0.151784
    74  H    0.181904
    75  H    0.162997
    76  H    0.157247
    77  H    0.326093
    78  H    0.159164
    79  H    0.196393
    80  H    0.155129
    81  H    0.165923
    82  H    0.142647
    83  H    0.145585
    84  H    0.139837
    85  H    0.146007
    86  H    0.291266
    87  H    0.155902
    88  H    0.152343
    89  H    0.172162
    90  H    0.197487
    91  H    0.141118
    92  H    0.169871
    93  H    0.166421
    94  H    0.160372
    95  H    0.167467
    96  H    0.147927
    97  H    0.158408
    98  H    0.208318
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     1  C   -0.007592
     2  C    0.152760
     3  C   -0.008384
     4  C    0.111272
     5  N   -0.338557
     6  C    0.100155
     7  C    0.242747
     8  N   -0.361666
     9  C    0.190978
    10  C    0.659604
    11  O   -0.587414
    12  N   -0.217932
    13  C    0.102481
    14  C    0.552503
    15  O   -0.582527
    16  N   -0.245431
    17  C    0.297162
    18  C   -0.038258
    19  C    0.083727
    20  C   -0.066344
    21  C    0.042991
    22  C   -0.028229
    23  C    0.039881
    24  C   -0.063658
    25  C   -0.070603
    26  C    0.267704
    27  O   -0.272499
    28  C    0.235690
    29  C   -0.007495
    30  C    0.086024
    31  C   -0.019615
    32  C    0.026174
    33  C   -0.029088
    34  C    0.025570
    35  C   -0.071597
    36  N   -0.171214
    37  C    0.694691
    38  O   -0.548457
    39  O   -0.469611
    40  C    0.360621
    41  C   -0.239687
    42  C    0.143736
    43  N   -0.351338
    44  C    0.182395
    45  S    0.182760
    46  C    0.144627
    47  C   -0.013627
    48  C   -0.032218
    49  C   -0.112889
    50  S    0.029676
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4604    Y=              2.1114    Z=              3.0258  Tot=              3.7183
 N-N= 3.659786997615D+03 E-N=-6.600343838668D+03  KE=-5.433069463486D+02
 1|1|UNPC-DESKTOP-79UADGC|FOpt|RPM6|ZDO|C37H48N6O5S2|ALEJANDRO MORALES|
 28-Feb-2022|0||# opt pm6 geom=connectivity||HMDB0014646||0,1|C,8.49963
 99238,4.7579080533,2.4944367671|C,8.26089762,4.3421078853,1.0395926315
 |C,9.4339335936,3.5321264895,0.4793250564|C,6.9870276458,3.5655539386,
 0.9236430852|N,5.9211507224,3.9090049191,0.2416266852|C,4.8803085693,2
 .9488805017,0.3454988599|C,3.5969565124,3.2346490412,-0.3827160421|N,3
 .370322373,2.3443786536,-1.5496009448|C,4.2792467117,2.6131415839,-2.6
 985794394|C,3.0017856951,0.9852461539,-1.3774453039|O,3.171941018,0.14
 92093914,-2.258771395|N,2.3711964712,0.6218276805,-0.1494269891|C,1.65
 48402148,-0.6742698278,-0.1482276167|C,0.2508168687,-0.5096090848,-0.7
 674839294|O,-0.4056816081,0.5232384057,-0.6894834114|N,-0.2576586296,-
 1.6337383925,-1.4087701332|C,-1.6010098382,-1.6214181075,-2.0513195014
 |C,-1.5389261084,-2.3336218677,-3.4206033466|C,-1.0906891524,-3.767367
 2865,-3.355212472|C,0.2640113181,-4.0882657742,-3.5380489504|C,0.68432
 145,-5.4193249034,-3.475717104|C,-0.2408381464,-6.4394617874,-3.233139
 6965|C,-1.5921047591,-6.1236682933,-3.0599495103|C,-2.0184538058,-4.79
 43049451,-3.1219344843|C,-2.6462437599,-2.2537642779,-1.1082792035|C,-
 2.8216743625,-1.4246569618,0.1686321466|O,-2.1737566534,-2.0999642312,
 1.268221761|C,-4.2845392684,-1.3013880819,0.6890129787|C,-5.2298884482
 ,-0.7542758413,-0.3928452494|C,-6.6675505064,-0.8093065686,0.044423330
 2|C,-7.2756209771,0.3303023941,0.5931157221|C,-8.6131882871,0.28456276
 71,0.9923607039|C,-9.3511691596,-0.8952658293,0.8480661831|C,-8.745482
 1772,-2.0321720444,0.3044314637|C,-7.4071556125,-1.9931183741,-0.09706
 1697|N,-4.2769832672,-0.4371795237,1.9112090419|C,-3.9111380117,0.9037
 002362,1.7789576989|O,-4.0866997252,1.6575302413,0.8340387249|O,-3.330
 1228581,1.3384940405,2.9631694389|C,-2.8431415864,2.7188497081,2.96264
 95401|C,-1.7172116925,2.8657187227,2.0198123547|C,-0.41268656,3.212459
 4685,2.2458709917|N,0.4072379211,3.2528567414,1.0995034068|C,-0.269289
 6807,2.9393349557,0.0089403837|S,-1.9558245715,2.5467946991,0.31662494
 91|C,1.5739211965,-1.2095391396,1.3115455932|C,0.6163049644,-0.3989187
 818,2.1834709853|C,1.1890441063,-2.6921096154,1.3135614757|C,5.1685611
 289,1.8590236965,1.1163358157|S,6.7779081491,1.9977659374,1.7520471654
 |H,9.3766255722,5.4109722018,2.574930312|H,7.6417551374,5.3099140486,2
 .8991174049|H,8.6757693114,3.8974188616,3.1506341115|H,8.1492340376,5.
 2773800734,0.4192776295|H,9.6423066593,2.6341687024,1.073063922|H,9.24
 1764257,3.207513999,-0.5510419154|H,10.3519133325,4.1316393453,0.46790
 33167|H,2.7302972405,3.1707937124,0.3245069642|H,3.5924288863,4.291681
 0058,-0.7549194576|H,4.0211946836,3.5946669407,-3.1288066043|H,4.14371
 27791,1.8438857266,-3.482831353|H,5.3419489299,2.6229156224,-2.4056774
 088|H,1.9016684692,1.3595591471,0.395481154|H,2.2623895141,-1.39444839
 44,-0.7727301697|H,0.28036868,-2.4941278023,-1.4891243658|H,-1.8840835
 405,-0.5422669907,-2.23143961|H,-0.8634454435,-1.755602436,-4.09084824
 63|H,-2.5356577821,-2.2660256724,-3.905027281|H,0.9901266152,-3.302013
 7555,-3.7446680725|H,1.736438416,-5.6620331975,-3.6217721635|H,0.08838
 32288,-7.4754391481,-3.1852380919|H,-2.316453069,-6.9168248903,-2.8787
 425469|H,-3.0732098006,-4.5600376025,-2.9955945136|H,-2.356058796,-3.2
 900477707,-0.8347841081|H,-3.6093775862,-2.3572423263,-1.6481185644|H,
 -2.3593143793,-0.4095827469,0.0553137281|H,-1.1873783644,-2.0999975792
 ,1.142318975|H,-4.6392875808,-2.3123444934,1.0325850366|H,-4.945947022
 9,0.2955290862,-0.6525408721|H,-5.0905759205,-1.3318447442,-1.33181058
 48|H,-6.6957743929,1.2473307869,0.7120027177|H,-9.0817514097,1.1702774
 61,1.4181972048|H,-10.3927336831,-0.9279706941,1.1589836415|H,-9.31728
 83882,-2.9515670564,0.1932115531|H,-6.9434655879,-2.8815826502,-0.5173
 347985|H,-3.9156341716,-0.92108615,2.7464282929|H,-2.5493827525,2.8332
 710128,4.0259462709|H,-3.6943016693,3.387442488,2.7204137501|H,0.04307
 62511,3.4619786583,3.1978218191|H,0.1520614288,2.8816953248,-0.9906796
 422|H,2.6075789064,-1.1160273191,1.7410983721|H,0.8827019176,0.6664516
 072,2.2070069389|H,-0.4254982389,-0.4488708728,1.834905824|H,0.6249044
 928,-0.753427307,3.2208088577|H,1.3091026672,-3.121500896,2.3176150841
 |H,0.1361841312,-2.8538644913,1.0296237531|H,1.8147566141,-3.28647881,
 0.6388995061|H,4.5413824596,1.0078132201,1.3288257097||Version=IA32W-G
 09RevA.02|State=1-A|HF=-0.2585737|RMSD=6.405e-009|RMSF=3.001e-006|Dipo
 le=0.6251366,-1.2079266,0.5386237|PG=C01 [X(C37H48N6O5S2)]||@


 DO YOU KNOW THAT THE LETTERS IN "EPISCOPAL", WHEN
 REARRANGED, SPELL "PEPSI COLA"?
 Job cpu time:  0 days  0 hours 11 minutes 33.0 seconds.
 File lengths (MBytes):  RWF=     35 Int=      0 D2E=      0 Chk=     12 Scr=      1
 Normal termination of Gaussian 09 at Mon Feb 28 11:00:31 2022.
